| 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 | 32.3 | Very low | 50.4 | Low | 245 Ų | 245 | 108.6 Ų | 108.6 | 100% | 1.207 | 58% | 0.582 | S | S | * | * | 0 | 96.7 | 0 | -72.8 | 172.7 | 66.5 | 0 | 0 | 107.4 | |||||
| 2 | T | 34.1 | Very low | 51.9 | Low | 132 Ų | 132 | 103.7 Ų | 103.7 | 81% | 0.81 | 56% | 0.559 | S | S | * | * | trans | -94.7 | 120.2 | 168.4 | 40.1 | 0 | 0 | 0 | 0 | 106.9 | E4 | T2-E4 PolarHBondContact O-N 3.47Š| ||
| 3 | A | 39.8 | Very low | 53.2 | Low | 90 Ų | 90 | 101.6 Ų | 101.6 | 74% | 0.744 | 54% | 0.543 | S | S | * | . | trans | -66.2 | 131.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | E5 | A3-E5 PolarHBondContact O-N 3.29Å; A3-E5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | E | 44.8 | Very low | 54.5 | Low | 152 Ų | 152 | 99.5 Ų | 99.5 | 71% | 0.71 | 53% | 0.531 | S | S | * | . | trans | -69.8 | 107 | 168.1 | -68.5 | -179.5 | 176.9 | 0 | 0 | 107.3 | T2 T6 | T2-E4 PolarHBondContact O-N 3.47Å; E4-T6 VanDerWaalsContact C-N 3.3Å; E4-T6 PolarHBondContact O-N 3.45Å; E4-T6 PolarHBondContact O-OG1 3.25Å | ||
| 5 | E | 48 | Very low | 55.8 | Low | 124 Ų | 124 | 93.5 Ų | 93.5 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | trans | -66 | 90.8 | -179.3 | -73.6 | 171.2 | 174.9 | 0 | 0 | 109.1 | A3 L265 | A3-E5 PolarHBondContact O-N 3.29Å; A3-E5 VanDerWaalsContact O-N 3.13Å; E5-L265 HydrophobicContact CB-CD2 3.73Å; E5-L265 WeakPolarHBondContact O-CD2 3.32Å | ||
| 6 | T | 50.3 | Low | 56.9 | Low | 73 Ų | 73 | 90.3 Ų | 90.3 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 120 | -176.9 | -48.1 | 0 | 0 | 0 | 0 | 108.6 | E4 N266 | E4-T6 VanDerWaalsContact C-N 3.3Å; E4-T6 PolarHBondContact O-N 3.45Å; E4-T6 PolarHBondContact O-OG1 3.25Å; T6-N266 CarbonylContact C-O 3.6Å; T6-N266 VanDerWaalsContact CA-O 3.29Å; T6-N266 WeakPolarHBondContact CA-O 3.18Å; T6-N266 HydrophobicContact CG2-CB 4.18Å; T6-N266 WeakPolarHBondContact CG2-O 3.42Å |
| 7 | I | 54.9 | Low | 57.6 | Low | 79 Ų | 79 | 86.2 Ų | 86.2 | 41% | 0.405 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110.4 | -179.4 | -60.6 | 179.2 | 0 | 0 | 0 | 108.5 | V9 L265 N266 I267 H268 | I7-V9 HydrophobicContact CG2-CG2 4.04Å; I7-L265 HydrophobicContact CD1-CB 4.5Å; I7-L265 HydrophobicContact CD1-CD1 4.01Å; I7-N266 PolarHBondContact N-O 2.85Å; I7-I267 HydrophobicContact CB-CG1 4.47Å; I7-I267 CarbonylContact O-C 3.59Å; I7-I267 WeakPolarHBondContact O-CA 3.42Å; I7-H268 PolarHBondContact O-N 3.35Å |
| 8 | N | 51.6 | Low | 58.4 | Low | 103 Ų | 103 | 84.4 Ų | 84.4 | 55% | 0.551 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.8 | 177.5 | -61 | -20.2 | 0 | 0 | 0 | 110 | H268 | N8-H268 CarbonylContact C-O 3.55Å; N8-H268 WeakPolarHBondContact CA-O 3.2Å; N8-H268 WeakPolarHBondContact OD1-CB 3.43Å |
| 9 | V | 63.3 | Low | 59.5 | Low | 47 Ų | 47 | 80 Ų | 80 | 29% | 0.285 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 126.1 | 179.8 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | I7 I14 I267 H268 V269 D270 | I7-V9 HydrophobicContact CG2-CG2 4.04Å; V9-I14 HydrophobicContact CG1-CD1 3.89Å; V9-I14 HydrophobicContact CG1-CG1 4.25Å; V9-I267 HydrophobicContact CG2-CG2 4.3Å; V9-H268 PolarHBondContact N-O 2.91Å; V9-V269 CarbonylContact O-C 3.53Å; V9-V269 WeakPolarHBondContact O-CA 3.42Å; V9-D270 PolarHBondContact O-N 3.27Å |
| 10 | K | 63.9 | Low | 60.3 | Low | 103 Ų | 103 | 76.8 Ų | 76.8 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126 | -179.9 | -69.7 | 171.1 | -176 | 172.3 | 0 | 111.7 | V12 E13 I14 D270 | K10-V12 PolarHBondContact O-N 3.05Å; K10-E13 HydrophobicContact CB-CB 4.42Å; K10-E13 HydrophobicContact CB-CG 3.97Å; K10-E13 WeakPolarHBondContact O-CB 3.19Å; K10-E13 PolarHBondContact O-N 3.48Å; K10-I14 PolarHBondContact O-N 3.06Å; K10-D270 HydrophobicContact CB-CB 4.44Å; K10-D270 WeakPolarHBondContact CE-OD2 3.26Å; K10-D270 HydrophobicContact CG-CB 3.82Å; K10-D270 WeakPolarHBondContact CG-OD2 3.29Å |
| 11 | E | 70.9 | Confident | 61 | Low | 47 Ų | 47 | 76.2 Ų | 76.2 | 22% | 0.22 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60.4 | -31.4 | 178.2 | -171.1 | 178.7 | 166.4 | 0 | 0 | 112.1 | E13 I14 I15 D270 R271 L272 | E11-E13 VanDerWaalsContact C-N 3.28Å; E11-E13 PolarHBondContact O-N 3.17Å; E11-I14 PolarHBondContact O-N 3Å; E11-I15 HydrophobicContact CG-CD1 3.87Å; E11-I15 HydrophobicContact CG-CG1 4.46Å; E11-I15 WeakPolarHBondContact O-CB 3.47Å; E11-I15 WeakPolarHBondContact O-CG1 3.34Å; E11-I15 PolarHBondContact O-N 3.44Å; E11-D270 WeakPolarHBondContact CB-O 3.27Å; E11-D270 PolarHBondContact N-O 3.25Å; E11-R271 VanDerWaalsContact OE2-CA 3.29Å; E11-R271 WeakPolarHBondContact OE2-CA 3.17Å; E11-L272 HydrophobicContact CB-CB 3.91Å; E11-L272 HydrophobicContact CG-CB 3.97Å; E11-L272 PolarHBondContact OE2-N 2.8Å |
| 12 | V | 68.7 | Low | 63.2 | Low | 49 Ų | 49 | 65.6 Ų | 65.6 | 30% | 0.297 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.5 | -38.5 | 172 | 177 | 0 | 0 | 0 | 0 | 112.5 | K10 I15 K16 V40 L272 | K10-V12 PolarHBondContact O-N 3.05Å; V12-I15 PolarHBondContact O-N 3.29Å; V12-K16 HydrophobicContact CG1-CD 4.47Å; V12-K16 WeakPolarHBondContact O-CG 3.2Å; V12-K16 PolarHBondContact O-N 3.41Å; V12-V40 HydrophobicContact CG1-CG1 4.28Å; V12-V40 HydrophobicContact CG1-CG2 4.13Å; V12-V40 HydrophobicContact CG2-CG2 4.34Å; V12-L272 HydrophobicContact CG2-CB 4.28Å; V12-L272 HydrophobicContact CG2-CD1 3.68Å; V12-L272 HydrophobicContact CG2-CD2 4.24Å; V12-L272 HydrophobicContact CG2-CG 4.28Å |
| 13 | E | 68.9 | Low | 65.4 | Low | 77 Ų | 77 | 62.7 Ų | 62.7 | 36% | 0.36 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -73.3 | -39.6 | -179.2 | -65 | 173.9 | -176.7 | 0 | 0 | 110.6 | K10 E11 I15 K16 V17 | K10-E13 HydrophobicContact CB-CB 4.42Å; K10-E13 HydrophobicContact CB-CG 3.97Å; K10-E13 WeakPolarHBondContact O-CB 3.19Å; K10-E13 PolarHBondContact O-N 3.48Å; E11-E13 VanDerWaalsContact C-N 3.28Å; E11-E13 PolarHBondContact O-N 3.17Å; E13-I15 VanDerWaalsContact C-N 3.35Å; E13-K16 PolarHBondContact O-N 3.18Å; E13-V17 WeakPolarHBondContact O-CB 3.46Å; E13-V17 VanDerWaalsContact O-CG2 3.27Å; E13-V17 WeakPolarHBondContact O-CG2 3.49Å; E13-V17 PolarHBondContact O-N 3.06Å |
| 14 | I | 70.8 | Confident | 67 | Low | 72 Ų | 72 | 61.1 Ų | 61.1 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.4 | -47 | 171.6 | -57.2 | 175.7 | 0 | 0 | 0 | 110 | V9 K10 E11 V17 I18 | V9-I14 HydrophobicContact CG1-CD1 3.89Å; V9-I14 HydrophobicContact CG1-CG1 4.25Å; K10-I14 PolarHBondContact O-N 3.06Å; E11-I14 PolarHBondContact O-N 3Å; I14-V17 CarbonylContact O-C 3.58Å; I14-V17 WeakPolarHBondContact O-CB 3.29Å; I14-V17 PolarHBondContact O-N 3.03Å; I14-I18 HydrophobicContact CG2-CD1 3.89Å; I14-I18 HydrophobicContact CG2-CG1 4.47Å; I14-I18 WeakPolarHBondContact O-CG1 3.27Å; I14-I18 PolarHBondContact O-N 2.8Å |
| 15 | I | 74.7 | Confident | 68.6 | Low | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.051 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.8 | -42.1 | -178.6 | -72 | 166.4 | 0 | 0 | 0 | 111.7 | E11 V12 E13 V17 I18 L19 L34 V40 L272 | E11-I15 HydrophobicContact CG-CD1 3.87Å; E11-I15 HydrophobicContact CG-CG1 4.46Å; E11-I15 WeakPolarHBondContact O-CB 3.47Å; E11-I15 WeakPolarHBondContact O-CG1 3.34Å; E11-I15 PolarHBondContact O-N 3.44Å; V12-I15 PolarHBondContact O-N 3.29Å; E13-I15 VanDerWaalsContact C-N 3.35Å; I15-V17 PolarHBondContact O-N 3.12Å; I15-I18 PolarHBondContact O-N 3.44Å; I15-L19 HydrophobicContact CG2-CD1 3.95Å; I15-L19 HydrophobicContact CG2-CG 4.32Å; I15-L19 WeakPolarHBondContact O-CB 3.41Å; I15-L19 VanDerWaalsContact O-CG 3.28Å; I15-L19 WeakPolarHBondContact O-CG 3.37Å; I15-L19 PolarHBondContact O-N 2.84Å; I15-L34 HydrophobicContact CG2-CD2 4.44Å; I15-L34 HydrophobicContact CG2-CG 4.35Å; I15-V40 HydrophobicContact CG2-CB 3.94Å; I15-V40 HydrophobicContact CG2-CG1 4.09Å; I15-V40 HydrophobicContact CG2-CG2 4.49Å; I15-L272 HydrophobicContact CD1-CB 4.5Å; I15-L272 HydrophobicContact CD1-CD2 3.45Å; I15-L272 VanDerWaalsContact CD1-CD2 3.45Å |
| 16 | K | 72.6 | Confident | 70 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 18% | 0.183 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57 | -40 | 171.7 | -78 | 179.1 | 172.3 | -174.4 | 0 | 112.1 | V12 E13 L19 D20 V40 F187 A189 | V12-K16 HydrophobicContact CG1-CD 4.47Å; V12-K16 WeakPolarHBondContact O-CG 3.2Å; V12-K16 PolarHBondContact O-N 3.41Å; E13-K16 PolarHBondContact O-N 3.18Å; K16-L19 PolarHBondContact O-N 3.38Å; K16-D20 PolarHBondContact O-N 3.3Å; K16-V40 HydrophobicContact CG-CG1 3.74Å; K16-F187 PolarHBondContact NZ-O 3.36Å; K16-A189 HydrophobicContact CB-CB 4.4Å |
| 17 | V | 69.6 | Low | 71.4 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 12% | 0.121 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.6 | -33.8 | 178.3 | 164 | 0 | 0 | 0 | 0 | 112.3 | E13 I14 I15 F21 A189 L194 | E13-V17 WeakPolarHBondContact O-CB 3.46Å; E13-V17 VanDerWaalsContact O-CG2 3.27Å; E13-V17 WeakPolarHBondContact O-CG2 3.49Å; E13-V17 PolarHBondContact O-N 3.06Å; I14-V17 CarbonylContact O-C 3.58Å; I14-V17 WeakPolarHBondContact O-CB 3.29Å; I14-V17 PolarHBondContact O-N 3.03Å; I15-V17 PolarHBondContact O-N 3.12Å; V17-F21 PolarHBondContact O-N 3.37Å; V17-A189 HydrophobicContact CG2-CB 3.96Å; V17-L194 HydrophobicContact CG1-CB 3.46Å; V17-L194 VanDerWaalsContact CG1-CB 3.46Å; V17-L194 HydrophobicContact CG1-CD1 3.92Å; V17-L194 HydrophobicContact CG1-CD2 4.43Å; V17-L194 HydrophobicContact CG1-CG 4.1Å |
| 18 | I | 72.8 | Confident | 72.7 | Confident | 54 Ų | 54 | 58.9 Ų | 58.9 | 28% | 0.277 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.3 | -41.9 | 170.8 | -65.1 | 164.4 | 0 | 0 | 0 | 111.1 | I14 I15 D20 F21 L22 L34 L194 | I14-I18 HydrophobicContact CG2-CD1 3.89Å; I14-I18 HydrophobicContact CG2-CG1 4.47Å; I14-I18 WeakPolarHBondContact O-CG1 3.27Å; I14-I18 PolarHBondContact O-N 2.8Å; I15-I18 PolarHBondContact O-N 3.44Å; I18-D20 VanDerWaalsContact C-N 3.32Å; I18-D20 PolarHBondContact O-N 3.26Å; I18-F21 WeakPolarHBondContact O-CB 3.38Å; I18-F21 PolarHBondContact O-N 3.11Å; I18-L22 HydrophobicContact CG2-CD1 4Å; I18-L22 HydrophobicContact CG2-CG 4.28Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 2.84Å; I18-L34 HydrophobicContact CB-CD2 4.08Å; I18-L34 HydrophobicContact CG2-CD2 3.48Å; I18-L34 VanDerWaalsContact CG2-CD2 3.48Å; I18-L194 HydrophobicContact CG1-CD2 3.84Å |
| 19 | L | 78.8 | Confident | 73.9 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 177.5 | -73.2 | 168.8 | 0 | 0 | 0 | 111.8 | I15 K16 L22 H23 M31 L34 E35 V40 N42 | I15-L19 HydrophobicContact CG2-CD1 3.95Å; I15-L19 HydrophobicContact CG2-CG 4.32Å; I15-L19 WeakPolarHBondContact O-CB 3.41Å; I15-L19 VanDerWaalsContact O-CG 3.28Å; I15-L19 WeakPolarHBondContact O-CG 3.37Å; I15-L19 PolarHBondContact O-N 2.84Å; K16-L19 PolarHBondContact O-N 3.38Å; L19-L22 PolarHBondContact O-N 2.83Å; L19-H23 VanDerWaalsContact O-CB 3.27Å; L19-H23 WeakPolarHBondContact O-CB 3.17Å; L19-H23 PolarHBondContact O-N 2.7Å; L19-M31 HydrophobicContact CD2-CG 3.86Å; L19-L34 HydrophobicContact CD2-CB 4.06Å; L19-L34 HydrophobicContact CD2-CD2 3.87Å; L19-L34 HydrophobicContact CD2-CG 4Å; L19-L34 HydrophobicContact CG-CD2 4.04Å; L19-L34 HydrophobicContact CG-CG 4.43Å; L19-E35 HydrophobicContact CD1-CG 4.17Å; L19-E35 HydrophobicContact CD2-CG 3.61Å; L19-V40 HydrophobicContact CD1-CG1 4.2Å; L19-V40 VanDerWaalsContact CD1-O 3.27Å; L19-V40 WeakPolarHBondContact CD1-O 3.47Å; L19-N42 HydrophobicContact CB-CB 3.99Å; L19-N42 HydrophobicContact CD1-CB 4.34Å |
| 20 | D | 75.5 | Confident | 74.7 | Confident | 16 Ų | 16 | 60.3 Ų | 60.3 | 9% | 0.086 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 174.7 | -153.4 | 45.5 | 0 | 0 | 0 | 112.1 | K16 I18 H23 S24 N42 A189 S190 G191 | K16-D20 PolarHBondContact O-N 3.3Å; I18-D20 VanDerWaalsContact C-N 3.32Å; I18-D20 PolarHBondContact O-N 3.26Å; D20-H23 PolarHBondContact O-N 2.87Å; D20-S24 WeakPolarHBondContact O-CB 3.36Å; D20-S24 PolarHBondContact O-N 2.93Å; D20-N42 PolarHBondContact OD1-ND2 2.86Å; D20-A189 HydrophobicContact CB-CB 3.85Å; D20-S190 PolarHBondContact OD2-N 3.11Å; D20-G191 PolarHBondContact OD2-N 2.99Å; D20-G191 VanDerWaalsContact OD2-O 3.1Å |
| 21 | F | 75.5 | Confident | 75.5 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 29% | 0.285 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.2 | 170.9 | -94.3 | 0 | 0 | 0 | 113 | V17 I18 H23 S24 R25 L194 | V17-F21 PolarHBondContact O-N 3.37Å; I18-F21 WeakPolarHBondContact O-CB 3.38Å; I18-F21 PolarHBondContact O-N 3.11Å; F21-H23 VanDerWaalsContact C-N 3.31Å; F21-H23 PolarHBondContact O-N 3.32Å; F21-S24 PolarHBondContact O-N 3.41Å; F21-S24 PolarHBondContact O-OG 2.89Å; F21-R25 HydrophobicContact CE2-CG 4.38Å; F21-R25 HydrophobicContact CZ-CG 4.42Å; F21-R25 WeakPolarHBondContact O-CG 3.31Å; F21-R25 PolarHBondContact O-N 3.5Å; F21-L194 HydrophobicContact CB-CD2 4.35Å |
| 22 | L | 77.9 | Confident | 75.9 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 11% | 0.11 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 176.3 | -67.8 | 173.6 | 0 | 0 | 0 | 111.2 | I18 L19 K26 L27 M31 L34 | I18-L22 HydrophobicContact CG2-CD1 4Å; I18-L22 HydrophobicContact CG2-CG 4.28Å; I18-L22 WeakPolarHBondContact O-CG 3.38Å; I18-L22 PolarHBondContact O-N 2.84Å; L19-L22 PolarHBondContact O-N 2.83Å; L22-K26 PolarHBondContact O-N 2.8Å; L22-L27 HydrophobicContact CB-CB 4.46Å; L22-L27 HydrophobicContact CD2-CB 4.09Å; L22-L27 HydrophobicContact CD2-CD1 3.99Å; L22-L27 PolarHBondContact O-N 3.06Å; L22-M31 HydrophobicContact CB-CB 4.02Å; L22-M31 HydrophobicContact CB-CG 4.45Å; L22-L34 HydrophobicContact CD1-CB 4.49Å; L22-L34 HydrophobicContact CD1-CD2 3.95Å |
| 23 | H | 79 | Confident | 76.2 | Confident | 71 Ų | 71 | 55.6 Ų | 55.6 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.5 | -47.4 | 174.6 | 176.7 | 74.3 | 0 | 0 | 0 | 112.1 | L19 D20 F21 R25 K26 H28 M31 E166 | L19-H23 VanDerWaalsContact O-CB 3.27Å; L19-H23 WeakPolarHBondContact O-CB 3.17Å; L19-H23 PolarHBondContact O-N 2.7Å; D20-H23 PolarHBondContact O-N 2.87Å; F21-H23 VanDerWaalsContact C-N 3.31Å; F21-H23 PolarHBondContact O-N 3.32Å; H23-R25 PolarHBondContact O-N 3Å; H23-R25 VanDerWaalsContact O-N 3.16Å; H23-K26 PolarHBondContact O-N 2.87Å; H23-H28 AromaticContact ND1-CE1 3.79Å; H23-M31 HydrophobicContact CB-SD 3.95Å; H23-E166 IonicContact CE1-OE1 3.58Å; H23-E166 PolarHBondContact CE1-OE1 3.32Å; H23-E166 IonicContact ND1-OE1 3.94Å |
| 24 | S | 75.2 | Confident | 76.6 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 40% | 0.399 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.1 | -27.1 | 179.8 | 80.7 | 0 | 0 | 0 | 0 | 113 | D20 F21 D192 | D20-S24 WeakPolarHBondContact O-CB 3.36Å; D20-S24 PolarHBondContact O-N 2.93Å; F21-S24 PolarHBondContact O-N 3.41Å; F21-S24 PolarHBondContact O-OG 2.89Å; S24-D192 PolarHBondContact OG-OD1 3.26Å |
| 25 | R | 77.8 | Confident | 77 | Confident | 156 Ų | 156 | 51.3 Ų | 51.3 | 59% | 0.589 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 5.8 | 174.8 | -61.2 | -60.5 | -177.6 | 127.3 | -2.1 | 115 | F21 H23 L27 | F21-R25 HydrophobicContact CE2-CG 4.38Å; F21-R25 HydrophobicContact CZ-CG 4.42Å; F21-R25 WeakPolarHBondContact O-CG 3.31Å; F21-R25 PolarHBondContact O-N 3.5Å; H23-R25 PolarHBondContact O-N 3Å; H23-R25 VanDerWaalsContact O-N 3.16Å; R25-L27 HydrophobicContact CB-CD1 4.01Å; R25-L27 HydrophobicContact CB-CG 3.93Å; R25-L27 PolarHBondContact O-N 3.28Å |
| 26 | K | 77.4 | Confident | 77.1 | Confident | 137 Ų | 137 | 58 Ų | 58 | 60% | 0.596 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 24.3 | -176.9 | -54.1 | -179.3 | -178.7 | 178.5 | 0 | 114.7 | L22 H23 H28 | L22-K26 PolarHBondContact O-N 2.8Å; H23-K26 PolarHBondContact O-N 2.87Å; K26-H28 WeakPolarHBondContact CA-NE2 3.34Å; K26-H28 PolarHBondContact O-CD2 3.25Å; K26-H28 PolarHBondContact O-N 3.41Å |
| 27 | L | 79.6 | Confident | 77.2 | Confident | 82 Ų | 82 | 59.2 Ų | 59.2 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | trans | -82.6 | 53.8 | -179.2 | -62.3 | 176.9 | 0 | 0 | 0 | 111.3 | L22 R25 I29 S30 M31 | L22-L27 HydrophobicContact CB-CB 4.46Å; L22-L27 HydrophobicContact CD2-CB 4.09Å; L22-L27 HydrophobicContact CD2-CD1 3.99Å; L22-L27 PolarHBondContact O-N 3.06Å; R25-L27 HydrophobicContact CB-CD1 4.01Å; R25-L27 HydrophobicContact CB-CG 3.93Å; R25-L27 PolarHBondContact O-N 3.28Å; L27-I29 VanDerWaalsContact C-N 3.3Å; L27-I29 PolarHBondContact O-N 2.9Å; L27-S30 PolarHBondContact O-N 3Å; L27-M31 PolarHBondContact O-N 2.9Å | ||
| 28 | H | 81.4 | Confident | 77.5 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 3% | 0.032 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.2 | -27.7 | -166.8 | -60.6 | -69 | 0 | 0 | 0 | 114.4 | H23 K26 M31 L32 T159 V162 | H23-H28 AromaticContact ND1-CE1 3.79Å; K26-H28 WeakPolarHBondContact CA-NE2 3.34Å; K26-H28 PolarHBondContact O-CD2 3.25Å; K26-H28 PolarHBondContact O-N 3.41Å; H28-M31 HydrophobicContact CB-CE 4.48Å; H28-M31 WeakPolarHBondContact O-CB 3.26Å; H28-M31 PolarHBondContact O-N 3.25Å; H28-L32 WeakPolarHBondContact O-CB 3.42Å; H28-L32 WeakPolarHBondContact O-CG 3.49Å; H28-L32 PolarHBondContact O-N 3.22Å; H28-T159 PolarHBondContact CD2-OG1 3.3Å; H28-V162 HydrophobicContact CB-CG2 4.13Å |
| 29 | I | 76.7 | Confident | 77.6 | Confident | 115 Ų | 115 | 58.5 Ų | 58.5 | 59% | 0.59 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.9 | -50 | 174.8 | -61.3 | 171.7 | 0 | 0 | 0 | 110 | L27 M31 L32 A33 | L27-I29 VanDerWaalsContact C-N 3.3Å; L27-I29 PolarHBondContact O-N 2.9Å; I29-M31 VanDerWaalsContact C-N 3.33Å; I29-M31 PolarHBondContact O-N 2.75Å; I29-L32 PolarHBondContact O-N 3.12Å; I29-A33 WeakPolarHBondContact O-CB 3.43Å; I29-A33 PolarHBondContact O-N 2.9Å |
| 30 | S | 80.1 | Confident | 77.4 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.3 | -36.4 | 176.5 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | L27 L34 | L27-S30 PolarHBondContact O-N 3Å; S30-L34 WeakPolarHBondContact O-CB 3.25Å; S30-L34 PolarHBondContact O-N 3.35Å |
| 31 | M | 81.5 | Confident | 77.7 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.039 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.9 | -55.9 | 174.1 | -173.1 | -165.6 | 79.1 | 0 | 0 | 110.8 | L19 L22 H23 L27 H28 I29 A33 L34 E35 V162 | L19-M31 HydrophobicContact CD2-CG 3.86Å; L22-M31 HydrophobicContact CB-CB 4.02Å; L22-M31 HydrophobicContact CB-CG 4.45Å; H23-M31 HydrophobicContact CB-SD 3.95Å; L27-M31 PolarHBondContact O-N 2.9Å; H28-M31 HydrophobicContact CB-CE 4.48Å; H28-M31 WeakPolarHBondContact O-CB 3.26Å; H28-M31 PolarHBondContact O-N 3.25Å; I29-M31 VanDerWaalsContact C-N 3.33Å; I29-M31 PolarHBondContact O-N 2.75Å; M31-A33 VanDerWaalsContact C-N 3.32Å; M31-A33 PolarHBondContact O-N 2.58Å; M31-L34 PolarHBondContact O-N 2.96Å; M31-L34 VanDerWaalsContact O-N 3.11Å; M31-E35 WeakPolarHBondContact O-CG 3.26Å; M31-E35 PolarHBondContact O-N 3.26Å; M31-V162 HydrophobicContact CE-CG1 4.33Å; M31-V162 HydrophobicContact CE-CG2 4.08Å |
| 32 | L | 79.1 | Confident | 77.8 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.9 | -35.4 | -179.9 | -68.1 | 171.3 | 0 | 0 | 0 | 112.3 | H28 I29 E35 K36 L57 V162 | H28-L32 WeakPolarHBondContact O-CB 3.42Å; H28-L32 WeakPolarHBondContact O-CG 3.49Å; H28-L32 PolarHBondContact O-N 3.22Å; I29-L32 PolarHBondContact O-N 3.12Å; L32-E35 PolarHBondContact O-N 3.28Å; L32-K36 VanDerWaalsContact O-CB 3.29Å; L32-K36 WeakPolarHBondContact O-CB 3.23Å; L32-K36 PolarHBondContact O-N 3.31Å; L32-L57 HydrophobicContact CD1-CD2 4.2Å; L32-L57 HydrophobicContact CD2-CD1 3.72Å; L32-L57 HydrophobicContact CD2-CD2 4.21Å; L32-V162 HydrophobicContact CD1-CG2 4.29Å |
| 33 | A | 76.1 | Confident | 77.4 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I29 M31 K36 E37 | I29-A33 WeakPolarHBondContact O-CB 3.43Å; I29-A33 PolarHBondContact O-N 2.9Å; M31-A33 VanDerWaalsContact C-N 3.32Å; M31-A33 PolarHBondContact O-N 2.58Å; A33-K36 PolarHBondContact O-N 2.82Å; A33-E37 WeakPolarHBondContact O-CB 3.27Å; A33-E37 PolarHBondContact O-N 3.47Å |
| 34 | L | 75.9 | Confident | 77.1 | Confident | 41 Ų | 41 | 59 Ų | 59 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 175.6 | -179.3 | 59.5 | 0 | 0 | 0 | 111.9 | I15 I18 L19 L22 S30 M31 K36 E37 S38 | I15-L34 HydrophobicContact CG2-CD2 4.44Å; I15-L34 HydrophobicContact CG2-CG 4.35Å; I18-L34 HydrophobicContact CB-CD2 4.08Å; I18-L34 HydrophobicContact CG2-CD2 3.48Å; I18-L34 VanDerWaalsContact CG2-CD2 3.48Å; L19-L34 HydrophobicContact CD2-CB 4.06Å; L19-L34 HydrophobicContact CD2-CD2 3.87Å; L19-L34 HydrophobicContact CD2-CG 4Å; L19-L34 HydrophobicContact CG-CD2 4.04Å; L19-L34 HydrophobicContact CG-CG 4.43Å; L22-L34 HydrophobicContact CD1-CB 4.49Å; L22-L34 HydrophobicContact CD1-CD2 3.95Å; S30-L34 WeakPolarHBondContact O-CB 3.25Å; S30-L34 PolarHBondContact O-N 3.35Å; M31-L34 PolarHBondContact O-N 2.96Å; M31-L34 VanDerWaalsContact O-N 3.11Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 2.67Å; L34-E37 PolarHBondContact O-N 3.35Å; L34-S38 WeakPolarHBondContact O-CB 3.5Å; L34-S38 PolarHBondContact O-N 2.87Å; L34-S38 PolarHBondContact O-OG 2.87Å |
| 35 | E | 80.9 | Confident | 77.3 | Confident | 19 Ų | 19 | 59.1 Ų | 59.1 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 172.6 | -67.5 | -176.5 | 168.5 | 0 | 0 | 111.2 | L19 M31 L32 G39 V40 I41 R53 | L19-E35 HydrophobicContact CD1-CG 4.17Å; L19-E35 HydrophobicContact CD2-CG 3.61Å; M31-E35 WeakPolarHBondContact O-CG 3.26Å; M31-E35 PolarHBondContact O-N 3.26Å; L32-E35 PolarHBondContact O-N 3.28Å; E35-G39 VanDerWaalsContact O-CA 3.3Å; E35-G39 WeakPolarHBondContact O-CA 3.36Å; E35-G39 PolarHBondContact O-N 2.59Å; E35-V40 WeakPolarHBondContact CG-O 3.36Å; E35-I41 HydrophobicContact CG-CG1 4.46Å; E35-R53 IonicContact OE1-CZ 3.34Å; E35-R53 IonicContact OE1-NH1 3.15Å; E35-R53 IonicContact OE1-NH2 2.7Å; E35-R53 PolarHBondContact OE1-NH2 2.91Å; E35-R53 IonicContact OE2-CZ 2.71Å; E35-R53 IonicContact OE2-NH1 3.64Å; E35-R53 PolarHBondContact OE2-NH1 3.35Å; E35-R53 IonicContact OE2-NH2 3.82Å; E35-R53 PolarHBondContact OE2-NH2 3.36Å |
| 36 | K | 76.8 | Confident | 77.3 | Confident | 149 Ų | 149 | 52.5 Ų | 52.5 | 65% | 0.648 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -69.1 | -36.2 | 178.3 | -172.2 | 175.7 | -179.5 | 177.4 | 0 | 113.2 | L32 A33 L34 P275 | L32-K36 VanDerWaalsContact O-CB 3.29Å; L32-K36 WeakPolarHBondContact O-CB 3.23Å; L32-K36 PolarHBondContact O-N 3.31Å; A33-K36 PolarHBondContact O-N 2.82Å; L34-K36 VanDerWaalsContact C-N 3.32Å; L34-K36 PolarHBondContact O-N 2.67Å; K36-P275 WeakPolarHBondContact O-CG 3.44Å |
| 37 | E | 74.3 | Confident | 77.1 | Confident | 68 Ų | 68 | 51.1 Ų | 51.1 | 32% | 0.318 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -79.2 | -28.8 | 176.6 | 175.6 | 164.4 | 166.9 | 0 | 0 | 113.3 | A33 L34 K274 P275 K277 | A33-E37 WeakPolarHBondContact O-CB 3.27Å; A33-E37 PolarHBondContact O-N 3.47Å; L34-E37 PolarHBondContact O-N 3.35Å; E37-K274 HydrophobicContact CG-CD 4.21Å; E37-K274 IonicContact OE1-NZ 2.83Å; E37-K274 PolarHBondContact OE1-NZ 2.91Å; E37-P275 VanDerWaalsContact O-CD 3.24Å; E37-P275 WeakPolarHBondContact O-CD 3.37Å; E37-P275 WeakPolarHBondContact O-CG 3.47Å; E37-K277 VanDerWaalsContact CD-CE 3.45Å; E37-K277 WeakPolarHBondContact OE1-CE 3.44Å; E37-K277 IonicContact OE1-NZ 3.3Å; E37-K277 PolarHBondContact OE1-NZ 3.27Å; E37-K277 IonicContact OE2-NZ 3.82Å; E37-K277 PolarHBondContact OE2-NZ 2.95Å |
| 38 | S | 74.6 | Confident | 77.2 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -98.3 | -24.9 | -177.6 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | L34 V40 L272 P275 | L34-S38 WeakPolarHBondContact O-CB 3.5Å; L34-S38 PolarHBondContact O-N 2.87Å; L34-S38 PolarHBondContact O-OG 2.87Å; S38-V40 PolarHBondContact O-N 2.89Å; S38-V40 PolarHBondContact OG-N 2.89Å; S38-L272 WeakPolarHBondContact O-CD2 3.31Å; S38-P275 WeakPolarHBondContact O-CD 3.22Å |
| 39 | G | 74.6 | Confident | 77.3 | Confident | 57 Ų | 57 | 47.8 Ų | 47.8 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | trans | 71.2 | 7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E35 | E35-G39 VanDerWaalsContact O-CA 3.3Å; E35-G39 WeakPolarHBondContact O-CA 3.36Å; E35-G39 PolarHBondContact O-N 2.59Å | ||
| 40 | V | 75.7 | Confident | 77.6 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | trans | -102.2 | 127.6 | -179.1 | 174.6 | 0 | 0 | 0 | 0 | 109.3 | V12 I15 K16 L19 E35 S38 L272 | V12-V40 HydrophobicContact CG1-CG1 4.28Å; V12-V40 HydrophobicContact CG1-CG2 4.13Å; V12-V40 HydrophobicContact CG2-CG2 4.34Å; I15-V40 HydrophobicContact CG2-CB 3.94Å; I15-V40 HydrophobicContact CG2-CG1 4.09Å; I15-V40 HydrophobicContact CG2-CG2 4.49Å; K16-V40 HydrophobicContact CG-CG1 3.74Å; L19-V40 HydrophobicContact CD1-CG1 4.2Å; L19-V40 VanDerWaalsContact CD1-O 3.27Å; L19-V40 WeakPolarHBondContact CD1-O 3.47Å; E35-V40 WeakPolarHBondContact CG-O 3.36Å; S38-V40 PolarHBondContact O-N 2.89Å; S38-V40 PolarHBondContact OG-N 2.89Å; V40-L272 HydrophobicContact CG2-CD1 4.44Å; V40-L272 HydrophobicContact CG2-CD2 3.54Å | ||
| 41 | I | 80.8 | Confident | 77.8 | Confident | 53 Ų | 53 | 45 Ų | 45 | 27% | 0.272 | 25% | 0.249 | S | C | . | . | trans | -112.5 | 135.6 | 173.4 | -61.5 | 171.8 | 0 | 0 | 0 | 108 | E35 G43 Y45 L50 | E35-I41 HydrophobicContact CG-CG1 4.46Å; I41-G43 VanDerWaalsContact C-N 3.32Å; I41-G43 PolarHBondContact O-N 2.87Å; I41-Y45 HydrophobicContact CG2-CD2 4.13Å; I41-Y45 HydrophobicContact CG2-CE2 3.86Å; I41-L50 HydrophobicContact CD1-CD2 3.74Å | ||
| 42 | N | 77.9 | Confident | 78 | Confident | 21 Ų | 21 | 44.6 Ų | 44.6 | 11% | 0.112 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -83.2 | 71.4 | -179.6 | -172.2 | 26.8 | 0 | 0 | 0 | 111.8 | L19 D20 A189 | L19-N42 HydrophobicContact CB-CB 3.99Å; L19-N42 HydrophobicContact CD1-CB 4.34Å; D20-N42 PolarHBondContact OD1-ND2 2.86Å; N42-A189 PolarHBondContact OD1-N 2.86Å |
| 43 | G | 71.2 | Confident | 78.4 | Confident | 20 Ų | 20 | 43.7 Ų | 43.7 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -174.6 | 172.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I41 | I41-G43 VanDerWaalsContact C-N 3.32Å; I41-G43 PolarHBondContact O-N 2.87Å |
| 44 | L | 72.5 | Confident | 78.8 | Confident | 74 Ų | 74 | 45.7 Ų | 45.7 | 39% | 0.387 | 24% | 0.242 | S | C | . | . | trans | -112.4 | 106.9 | 169.9 | -67.3 | 178.3 | 0 | 0 | 0 | 107.7 | A178 L182 | L44-A178 HydrophobicContact CB-CB 4.44Å; L44-L182 HydrophobicContact CD2-CB 4.11Å | ||
| 45 | Y | 77.9 | Confident | 79.3 | Confident | 60 Ų | 60 | 44 Ų | 44 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | trans | -130.4 | 145.9 | -175.3 | -58.4 | -61.2 | 0 | 0 | 0 | 108.9 | I41 M49 L50 F165 | I41-Y45 HydrophobicContact CG2-CD2 4.13Å; I41-Y45 HydrophobicContact CG2-CE2 3.86Å; Y45-M49 HydrophobicContact CD1-CG 3.65Å; Y45-M49 HydrophobicContact CE1-CG 4.47Å; Y45-M49 HydrophobicContact CG-CG 4.21Å; Y45-L50 HydrophobicContact CD2-CD2 3.83Å; Y45-L50 HydrophobicContact CG-CD2 4.14Å; Y45-F165 HydrophobicContact CD1-CZ 4.4Å; Y45-F165 HydrophobicContact CE1-CE1 4.13Å; Y45-F165 AromaticContact CE1-CZ 3.98Å; Y45-F165 HydrophobicContact CE1-CZ 3.98Å; Y45-F165 AromaticContact CZ-CE1 3.94Å | ||
| 46 | S | 77.5 | Confident | 79.6 | Confident | 17 Ų | 17 | 43 Ų | 43 | 12% | 0.119 | 23% | 0.228 | C | C | . | . | trans | -76.9 | 165.4 | 167.5 | 64.2 | 0 | 0 | 0 | 0 | 111 | D48 M49 L50 I176 | S46-D48 PolarHBondContact O-N 2.85Å; S46-M49 PolarHBondContact O-N 2.93Å; S46-M49 VanDerWaalsContact O-N 3.09Å; S46-M49 PolarHBondContact OG-N 2.88Å; S46-L50 WeakPolarHBondContact O-CG 3.2Å; S46-L50 PolarHBondContact O-N 2.89Å; S46-I176 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 47 | D | 75 | Confident | 80.1 | Confident | 107 Ų | 107 | 37 Ų | 37 | 57% | 0.572 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -51.7 | -43.1 | 173.9 | -65.3 | -14.6 | 0 | 0 | 0 | 112 | L50 F51 R311 | D47-L50 PolarHBondContact O-N 2.98Å; D47-F51 WeakPolarHBondContact O-CB 3.44Å; D47-F51 PolarHBondContact O-N 3.05Å; D47-R311 IonicContact OD2-NH1 3.95Å |
| 48 | D | 80.6 | Confident | 80.4 | Confident | 16 Ų | 16 | 37.8 Ų | 37.8 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -35.8 | -179.4 | -66.6 | -16.6 | 0 | 0 | 0 | 111.7 | S46 F51 L52 F67 I176 S312 | S46-D48 PolarHBondContact O-N 2.85Å; D48-F51 PolarHBondContact O-N 3.19Å; D48-L52 PolarHBondContact O-N 2.95Å; D48-F67 HydrophobicContact CB-CZ 4.13Å; D48-F67 WeakPolarHBondContact O-CZ 3.24Å; D48-I176 HydrophobicContact CB-CD1 4.48Å; D48-I176 HydrophobicContact CB-CG2 4.04Å; D48-S312 WeakPolarHBondContact OD2-CB 3.35Å; D48-S312 PolarHBondContact OD2-OG 3.03Å |
| 49 | M | 83.9 | Confident | 80.7 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74.1 | -35.6 | 175.2 | -174.9 | 63.3 | 74.9 | 0 | 0 | 112.2 | Y45 S46 F51 L52 R53 F165 C169 V172 A173 I176 | Y45-M49 HydrophobicContact CD1-CG 3.65Å; Y45-M49 HydrophobicContact CE1-CG 4.47Å; Y45-M49 HydrophobicContact CG-CG 4.21Å; S46-M49 PolarHBondContact O-N 2.93Å; S46-M49 VanDerWaalsContact O-N 3.09Å; S46-M49 PolarHBondContact OG-N 2.88Å; M49-F51 VanDerWaalsContact C-N 3.33Å; M49-L52 PolarHBondContact O-N 2.9Å; M49-L52 HydrophobicContact SD-CD2 4.06Å; M49-R53 WeakPolarHBondContact O-CB 3.19Å; M49-R53 PolarHBondContact O-N 2.91Å; M49-F165 HydrophobicContact CG-CE2 4.42Å; M49-F165 HydrophobicContact CG-CZ 4.27Å; M49-F165 HydrophobicContact SD-CE2 3.94Å; M49-F165 HydrophobicContact SD-CZ 4.22Å; M49-C169 HydrophobicContact SD-CB 4.17Å; M49-V172 HydrophobicContact CE-CB 4.12Å; M49-V172 HydrophobicContact CE-CG1 3.91Å; M49-A173 HydrophobicContact CE-CB 4.44Å; M49-I176 HydrophobicContact CB-CG2 4.23Å; M49-I176 HydrophobicContact CE-CB 4.18Å; M49-I176 HydrophobicContact CE-CG2 4.44Å |
| 50 | L | 82.8 | Confident | 81.2 | Confident | 61 Ų | 61 | 38.9 Ų | 38.9 | 32% | 0.319 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.7 | -35.1 | 172 | -70.8 | 176.2 | 0 | 0 | 0 | 111.7 | I41 Y45 S46 D47 R53 Q54 | I41-L50 HydrophobicContact CD1-CD2 3.74Å; Y45-L50 HydrophobicContact CD2-CD2 3.83Å; Y45-L50 HydrophobicContact CG-CD2 4.14Å; S46-L50 WeakPolarHBondContact O-CG 3.2Å; S46-L50 PolarHBondContact O-N 2.89Å; D47-L50 PolarHBondContact O-N 2.98Å; L50-R53 WeakPolarHBondContact O-CB 3.2Å; L50-R53 PolarHBondContact O-N 3.37Å; L50-Q54 PolarHBondContact O-N 2.84Å |
| 51 | F | 84.1 | Confident | 81.8 | Confident | 59 Ų | 59 | 38.7 Ų | 38.7 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.2 | -46 | 173.7 | -175.2 | -108.7 | 0 | 0 | 0 | 111.8 | D47 D48 M49 R53 Q54 L55 F67 Y308 | D47-F51 WeakPolarHBondContact O-CB 3.44Å; D47-F51 PolarHBondContact O-N 3.05Å; D48-F51 PolarHBondContact O-N 3.19Å; M49-F51 VanDerWaalsContact C-N 3.33Å; F51-R53 VanDerWaalsContact C-N 3.29Å; F51-R53 PolarHBondContact O-N 3Å; F51-Q54 PolarHBondContact O-N 3.31Å; F51-Q54 VanDerWaalsContact O-N 3.12Å; F51-L55 HydrophobicContact CD1-CD1 4.11Å; F51-L55 HydrophobicContact CE1-CD1 3.65Å; F51-L55 HydrophobicContact CE1-CG 4.21Å; F51-L55 HydrophobicContact CZ-CD1 4.05Å; F51-L55 HydrophobicContact CZ-CD2 4.16Å; F51-L55 HydrophobicContact CZ-CG 4.22Å; F51-L55 PolarHBondContact O-N 3.31Å; F51-F67 AromaticContact CD1-CD2 3.73Å; F51-F67 HydrophobicContact CD1-CD2 3.73Å; F51-F67 AromaticContact CD1-CE2 3.52Å; F51-F67 HydrophobicContact CD1-CE2 3.52Å; F51-F67 HydrophobicContact CD1-CG 4.33Å; F51-F67 AromaticContact CD1-CZ 3.93Å; F51-F67 HydrophobicContact CD1-CZ 3.93Å; F51-F67 AromaticContact CE1-CD2 3.74Å; F51-F67 HydrophobicContact CE1-CD2 3.74Å; F51-F67 AromaticContact CE1-CE2 3.96Å; F51-F67 HydrophobicContact CE1-CE2 3.96Å; F51-F67 HydrophobicContact CE1-CG 4.37Å; F51-Y308 HydrophobicContact CE1-CD1 4.25Å; F51-Y308 HydrophobicContact CE1-CE1 4.41Å |
| 52 | L | 86.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.1 | -43.5 | 171.7 | 177 | 59.9 | 0 | 0 | 0 | 112 | D48 M49 Q54 L55 I56 V64 F67 I68 V172 | D48-L52 PolarHBondContact O-N 2.95Å; M49-L52 PolarHBondContact O-N 2.9Å; M49-L52 HydrophobicContact SD-CD2 4.06Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 2.83Å; L52-L55 PolarHBondContact O-N 3.4Å; L52-I56 HydrophobicContact CD1-CD1 3.88Å; L52-I56 HydrophobicContact CD1-CG1 4.35Å; L52-I56 HydrophobicContact CG-CD1 4.11Å; L52-I56 WeakPolarHBondContact O-CG1 3.48Å; L52-I56 PolarHBondContact O-N 3.03Å; L52-I56 VanDerWaalsContact O-N 3.14Å; L52-V64 HydrophobicContact CD1-CG1 3.77Å; L52-F67 HydrophobicContact CB-CD1 4.21Å; L52-F67 HydrophobicContact CB-CE1 3.85Å; L52-F67 HydrophobicContact CD1-CD1 4.14Å; L52-I68 HydrophobicContact CD1-CD1 4.37Å; L52-I68 HydrophobicContact CD1-CG1 4.31Å; L52-I68 HydrophobicContact CD2-CD1 4.15Å; L52-V172 HydrophobicContact CD2-CB 4.41Å; L52-V172 HydrophobicContact CD2-CG1 4.2Å; L52-V172 HydrophobicContact CD2-CG2 4.3Å |
| 53 | R | 88 | Confident | 82.5 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.7 | -46.9 | 174.9 | -170 | 178.9 | -173 | -104.3 | 7 | 111.6 | E35 M49 L50 F51 I56 L57 F165 | E35-R53 IonicContact OE1-CZ 3.34Å; E35-R53 IonicContact OE1-NH1 3.15Å; E35-R53 IonicContact OE1-NH2 2.7Å; E35-R53 PolarHBondContact OE1-NH2 2.91Å; E35-R53 IonicContact OE2-CZ 2.71Å; E35-R53 IonicContact OE2-NH1 3.64Å; E35-R53 PolarHBondContact OE2-NH1 3.35Å; E35-R53 IonicContact OE2-NH2 3.82Å; E35-R53 PolarHBondContact OE2-NH2 3.36Å; M49-R53 WeakPolarHBondContact O-CB 3.19Å; M49-R53 PolarHBondContact O-N 2.91Å; L50-R53 WeakPolarHBondContact O-CB 3.2Å; L50-R53 PolarHBondContact O-N 3.37Å; F51-R53 VanDerWaalsContact C-N 3.29Å; F51-R53 PolarHBondContact O-N 3Å; R53-I56 PolarHBondContact O-N 3.29Å; R53-L57 HydrophobicContact CG-CD1 3.81Å; R53-L57 HydrophobicContact CG-CG 4.35Å; R53-L57 WeakPolarHBondContact O-CB 3.34Å; R53-L57 VanDerWaalsContact O-CG 3.25Å; R53-L57 WeakPolarHBondContact O-CG 3.28Å; R53-L57 PolarHBondContact O-N 3.14Å; R53-F165 HydrophobicContact CB-CD2 3.75Å; R53-F165 HydrophobicContact CB-CE1 4.22Å; R53-F165 HydrophobicContact CB-CE2 3.4Å; R53-F165 VanDerWaalsContact CB-CE2 3.4Å; R53-F165 HydrophobicContact CB-CG 4.3Å; R53-F165 HydrophobicContact CB-CZ 3.67Å; R53-F165 HydrophobicContact CG-CD1 3.84Å; R53-F165 HydrophobicContact CG-CD2 3.86Å; R53-F165 HydrophobicContact CG-CE1 3.75Å; R53-F165 HydrophobicContact CG-CE2 3.8Å; R53-F165 HydrophobicContact CG-CG 3.89Å; R53-F165 HydrophobicContact CG-CZ 3.74Å |
| 54 | Q | 84.4 | Confident | 83.3 | Confident | 93 Ų | 93 | 42.8 Ų | 42.8 | 44% | 0.435 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.7 | -47.8 | -179.2 | -170.3 | 61 | 34.3 | 0 | 0 | 111.6 | L50 F51 L52 I56 L57 D58 | L50-Q54 PolarHBondContact O-N 2.84Å; F51-Q54 PolarHBondContact O-N 3.31Å; F51-Q54 VanDerWaalsContact O-N 3.12Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 2.83Å; Q54-I56 VanDerWaalsContact C-N 3.31Å; Q54-I56 PolarHBondContact O-N 3.08Å; Q54-L57 PolarHBondContact O-N 3.25Å; Q54-L57 VanDerWaalsContact O-N 3.17Å; Q54-D58 PolarHBondContact NE2-OD1 3.02Å; Q54-D58 VanDerWaalsContact NE2-OD1 3.09Å; Q54-D58 PolarHBondContact NE2-OD2 3.37Å; Q54-D58 WeakPolarHBondContact O-CB 3.45Å; Q54-D58 PolarHBondContact O-N 3.03Å |
| 55 | L | 85.3 | Confident | 84 | Confident | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 178.8 | -65.6 | 177.7 | 0 | 0 | 0 | 112.7 | F51 L52 G59 Q60 E63 V64 F67 | F51-L55 HydrophobicContact CD1-CD1 4.11Å; F51-L55 HydrophobicContact CE1-CD1 3.65Å; F51-L55 HydrophobicContact CE1-CG 4.21Å; F51-L55 HydrophobicContact CZ-CD1 4.05Å; F51-L55 HydrophobicContact CZ-CD2 4.16Å; F51-L55 HydrophobicContact CZ-CG 4.22Å; F51-L55 PolarHBondContact O-N 3.31Å; L52-L55 PolarHBondContact O-N 3.4Å; L55-G59 PolarHBondContact O-N 3.11Å; L55-Q60 HydrophobicContact CD2-CB 4.21Å; L55-Q60 PolarHBondContact O-N 2.89Å; L55-E63 HydrophobicContact CD1-CB 4.24Å; L55-E63 HydrophobicContact CD2-CB 4.06Å; L55-V64 HydrophobicContact CB-CG2 3.55Å; L55-V64 HydrophobicContact CD1-CG2 4.49Å; L55-F67 HydrophobicContact CD1-CB 4.2Å; L55-F67 HydrophobicContact CD1-CG 4.48Å |
| 56 | I | 88.1 | Confident | 84.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.3 | -41.2 | 176.5 | -69.2 | 173 | 0 | 0 | 0 | 111.4 | L52 R53 Q54 G59 W61 V64 I86 R161 C164 F165 A168 | L52-I56 HydrophobicContact CD1-CD1 3.88Å; L52-I56 HydrophobicContact CD1-CG1 4.35Å; L52-I56 HydrophobicContact CG-CD1 4.11Å; L52-I56 WeakPolarHBondContact O-CG1 3.48Å; L52-I56 PolarHBondContact O-N 3.03Å; L52-I56 VanDerWaalsContact O-N 3.14Å; R53-I56 PolarHBondContact O-N 3.29Å; Q54-I56 VanDerWaalsContact C-N 3.31Å; Q54-I56 PolarHBondContact O-N 3.08Å; I56-G59 PolarHBondContact O-N 2.82Å; I56-W61 HydrophobicContact CB-CZ3 4.46Å; I56-W61 HydrophobicContact CG1-CZ3 4.39Å; I56-W61 HydrophobicContact CG2-CH2 4.15Å; I56-W61 HydrophobicContact CG2-CZ3 3.97Å; I56-V64 HydrophobicContact CD1-CG1 4.36Å; I56-V64 HydrophobicContact CG1-CG1 4.12Å; I56-V64 HydrophobicContact CG1-CG2 3.68Å; I56-I86 HydrophobicContact CD1-CD1 4.19Å; I56-I86 HydrophobicContact CG1-CD1 4.42Å; I56-R161 VanDerWaalsContact CG2-O 3.32Å; I56-R161 WeakPolarHBondContact CG2-O 3.49Å; I56-R161 WeakPolarHBondContact O-CD 3.33Å; I56-R161 WeakPolarHBondContact O-CG 3.37Å; I56-C164 HydrophobicContact CG2-CB 4.08Å; I56-F165 HydrophobicContact CD1-CB 4.46Å; I56-F165 HydrophobicContact CD1-CD2 4.3Å; I56-F165 HydrophobicContact CG2-CB 4.01Å; I56-A168 HydrophobicContact CD1-CB 3.9Å |
| 57 | L | 86.1 | Confident | 84.7 | Confident | 23 Ų | 23 | 41.9 Ų | 41.9 | 12% | 0.12 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.1 | -32.1 | 179.1 | -69.7 | 176 | 0 | 0 | 0 | 113.1 | L32 R53 Q54 G59 R161 V162 | L32-L57 HydrophobicContact CD1-CD2 4.2Å; L32-L57 HydrophobicContact CD2-CD1 3.72Å; L32-L57 HydrophobicContact CD2-CD2 4.21Å; R53-L57 HydrophobicContact CG-CD1 3.81Å; R53-L57 HydrophobicContact CG-CG 4.35Å; R53-L57 WeakPolarHBondContact O-CB 3.34Å; R53-L57 VanDerWaalsContact O-CG 3.25Å; R53-L57 WeakPolarHBondContact O-CG 3.28Å; R53-L57 PolarHBondContact O-N 3.14Å; Q54-L57 PolarHBondContact O-N 3.25Å; Q54-L57 VanDerWaalsContact O-N 3.17Å; L57-G59 VanDerWaalsContact C-N 3.34Å; L57-R161 HydrophobicContact CD2-CB 4.19Å; L57-R161 WeakPolarHBondContact O-CD 3.31Å; L57-R161 PolarHBondContact O-NH1 3.23Å; L57-V162 HydrophobicContact CD2-CG2 3.77Å |
| 58 | D | 80.1 | Confident | 85.3 | Confident | 83 Ų | 83 | 36.8 Ų | 36.8 | 44% | 0.444 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -78.1 | -20.7 | 173.4 | -71.2 | -24.3 | 0 | 0 | 0 | 112.2 | Q54 Q60 R161 | Q54-D58 PolarHBondContact NE2-OD1 3.02Å; Q54-D58 VanDerWaalsContact NE2-OD1 3.09Å; Q54-D58 PolarHBondContact NE2-OD2 3.37Å; Q54-D58 WeakPolarHBondContact O-CB 3.45Å; Q54-D58 PolarHBondContact O-N 3.03Å; D58-Q60 HydrophobicContact CB-CG 4.31Å; D58-R161 PolarHBondContact O-NH1 2.73Å |
| 59 | G | 82.8 | Confident | 85.5 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 24 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L55 I56 L57 W61 | L55-G59 PolarHBondContact O-N 3.11Å; I56-G59 PolarHBondContact O-N 2.82Å; L57-G59 VanDerWaalsContact C-N 3.34Å; G59-W61 PolarHBondContact O-N 2.88Å; G59-W61 PolarHBondContact O-NE1 3.1Å |
| 60 | Q | 84.3 | Confident | 85.5 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | trans | -80.4 | 60.6 | 177.5 | -65.9 | -179.9 | -86.4 | 0 | 0 | 110.5 | L55 D58 D62 E63 V64 | L55-Q60 HydrophobicContact CD2-CB 4.21Å; L55-Q60 PolarHBondContact O-N 2.89Å; D58-Q60 HydrophobicContact CB-CG 4.31Å; Q60-D62 VanDerWaalsContact C-N 3.27Å; Q60-D62 PolarHBondContact O-N 3.04Å; Q60-D62 VanDerWaalsContact O-N 3.14Å; Q60-E63 HydrophobicContact CB-CB 4.14Å; Q60-E63 HydrophobicContact CB-CG 4.38Å; Q60-E63 PolarHBondContact NE2-OE1 3.43Å; Q60-E63 PolarHBondContact NE2-OE2 3.32Å; Q60-E63 PolarHBondContact O-N 3.1Å; Q60-V64 PolarHBondContact O-N 3.45Å; Q60-V64 VanDerWaalsContact O-N 3.1Å | ||
| 61 | W | 88.4 | Confident | 85.4 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.1 | -34.4 | -167.9 | -58.6 | 115.7 | 0 | 0 | 0 | 114.6 | I56 G59 V64 L65 I86 Q89 K90 E93 R161 C164 | I56-W61 HydrophobicContact CB-CZ3 4.46Å; I56-W61 HydrophobicContact CG1-CZ3 4.39Å; I56-W61 HydrophobicContact CG2-CH2 4.15Å; I56-W61 HydrophobicContact CG2-CZ3 3.97Å; G59-W61 PolarHBondContact O-N 2.88Å; G59-W61 PolarHBondContact O-NE1 3.1Å; W61-V64 WeakPolarHBondContact O-CB 3.5Å; W61-L65 PolarHBondContact O-N 2.94Å; W61-I86 HydrophobicContact CB-CG2 4.36Å; W61-I86 HydrophobicContact CE3-CD1 4.46Å; W61-I86 HydrophobicContact CE3-CG2 4Å; W61-I86 HydrophobicContact CZ3-CD1 4.32Å; W61-Q89 HydrophobicContact CH2-CB 3.62Å; W61-Q89 HydrophobicContact CH2-CG 4.31Å; W61-Q89 HydrophobicContact CZ2-CB 3.77Å; W61-Q89 HydrophobicContact CZ3-CB 4.13Å; W61-K90 HydrophobicContact CB-CB 4.06Å; W61-K90 HydrophobicContact CB-CD 3.96Å; W61-K90 HydrophobicContact CB-CG 4.05Å; W61-K90 HydrophobicContact CD2-CB 4.49Å; W61-K90 HydrophobicContact CG-CB 3.84Å; W61-K90 HydrophobicContact CG-CD 4.5Å; W61-K90 HydrophobicContact CG-CG 4.04Å; W61-E93 PolarHBondContact NE1-OE2 2.81Å; W61-R161 HydrophobicContact CH2-CG 4.05Å; W61-R161 HydrophobicContact CZ2-CG 4.01Å; W61-C164 HydrophobicContact CH2-CB 4.44Å |
| 62 | D | 86.4 | Confident | 85.2 | Confident | 95 Ų | 95 | 36.9 Ų | 36.9 | 51% | 0.508 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -75.7 | -32.5 | 178.2 | -60.9 | -45.8 | 0 | 0 | 0 | 112.6 | Q60 V64 L65 Q66 K90 | Q60-D62 VanDerWaalsContact C-N 3.27Å; Q60-D62 PolarHBondContact O-N 3.04Å; Q60-D62 VanDerWaalsContact O-N 3.14Å; D62-V64 VanDerWaalsContact C-N 3.35Å; D62-L65 PolarHBondContact O-N 2.82Å; D62-Q66 PolarHBondContact O-N 3.34Å; D62-K90 IonicContact OD1-NZ 2.71Å; D62-K90 PolarHBondContact OD1-NZ 3.37Å; D62-K90 IonicContact OD2-NZ 3.8Å; D62-K90 PolarHBondContact OD2-NZ 2.57Å |
| 63 | E | 86.4 | Confident | 84.6 | Confident | 85 Ų | 85 | 42.1 Ų | 42.1 | 40% | 0.397 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.3 | -32.7 | 173.5 | -65.4 | -178.1 | -150.4 | 0 | 0 | 111.2 | L55 Q60 Q66 F67 | L55-E63 HydrophobicContact CD1-CB 4.24Å; L55-E63 HydrophobicContact CD2-CB 4.06Å; Q60-E63 HydrophobicContact CB-CB 4.14Å; Q60-E63 HydrophobicContact CB-CG 4.38Å; Q60-E63 PolarHBondContact NE2-OE1 3.43Å; Q60-E63 PolarHBondContact NE2-OE2 3.32Å; Q60-E63 PolarHBondContact O-N 3.1Å; E63-Q66 PolarHBondContact O-N 2.91Å; E63-F67 VanDerWaalsContact O-CB 3.27Å; E63-F67 WeakPolarHBondContact O-CB 3.26Å; E63-F67 PolarHBondContact O-N 3.35Å |
| 64 | V | 88.2 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | 171.2 | 176 | 0 | 0 | 0 | 0 | 111.2 | L52 L55 I56 Q60 W61 D62 F67 I68 F82 I86 | L52-V64 HydrophobicContact CD1-CG1 3.77Å; L55-V64 HydrophobicContact CB-CG2 3.55Å; L55-V64 HydrophobicContact CD1-CG2 4.49Å; I56-V64 HydrophobicContact CD1-CG1 4.36Å; I56-V64 HydrophobicContact CG1-CG1 4.12Å; I56-V64 HydrophobicContact CG1-CG2 3.68Å; Q60-V64 PolarHBondContact O-N 3.45Å; Q60-V64 VanDerWaalsContact O-N 3.1Å; W61-V64 WeakPolarHBondContact O-CB 3.5Å; D62-V64 VanDerWaalsContact C-N 3.35Å; V64-F67 PolarHBondContact O-N 2.85Å; V64-I68 WeakPolarHBondContact O-CG1 3.18Å; V64-I68 PolarHBondContact O-N 2.9Å; V64-I68 VanDerWaalsContact O-N 3.16Å; V64-F82 HydrophobicContact CG1-CE1 4.19Å; V64-F82 HydrophobicContact CG1-CZ 4.2Å; V64-I86 HydrophobicContact CG1-CD1 3.74Å; V64-I86 HydrophobicContact CG1-CG1 4Å; V64-I86 HydrophobicContact CG1-CG2 4.41Å |
| 65 | L | 88 | Confident | 83.5 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 177.9 | -66.2 | 177.2 | 0 | 0 | 0 | 111.7 | W61 D62 Q69 R83 I86 L87 | W61-L65 PolarHBondContact O-N 2.94Å; D62-L65 PolarHBondContact O-N 2.82Å; L65-Q69 PolarHBondContact O-N 3.41Å; L65-R83 HydrophobicContact CD2-CG 4.05Å; L65-I86 HydrophobicContact CD1-CG2 4.46Å; L65-I86 HydrophobicContact CD2-CB 4.1Å; L65-I86 HydrophobicContact CD2-CG1 4.44Å; L65-I86 HydrophobicContact CD2-CG2 3.88Å; L65-I86 HydrophobicContact CG-CG2 3.96Å; L65-L87 HydrophobicContact CD1-CD2 3.98Å; L65-L87 HydrophobicContact CD1-CG 4.43Å |
| 66 | Q | 85.6 | Confident | 83.2 | Confident | 97 Ų | 97 | 56.1 Ų | 56.1 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 175.4 | -172.6 | 173.6 | 27.3 | 0 | 0 | 112.5 | D62 E63 I68 Q69 | D62-Q66 PolarHBondContact O-N 3.34Å; E63-Q66 PolarHBondContact O-N 2.91Å; Q66-I68 VanDerWaalsContact C-N 3.33Å; Q66-I68 PolarHBondContact O-N 3.47Å; Q66-Q69 VanDerWaalsContact O-CB 3.29Å; Q66-Q69 WeakPolarHBondContact O-CB 3.45Å; Q66-Q69 PolarHBondContact O-N 3.04Å |
| 67 | F | 84.6 | Confident | 83.1 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 178.7 | -179.4 | -109.4 | 0 | 0 | 0 | 112 | D48 F51 L52 L55 E63 V64 P70 Y308 M309 | D48-F67 HydrophobicContact CB-CZ 4.13Å; D48-F67 WeakPolarHBondContact O-CZ 3.24Å; F51-F67 AromaticContact CD1-CD2 3.73Å; F51-F67 HydrophobicContact CD1-CD2 3.73Å; F51-F67 AromaticContact CD1-CE2 3.52Å; F51-F67 HydrophobicContact CD1-CE2 3.52Å; F51-F67 HydrophobicContact CD1-CG 4.33Å; F51-F67 AromaticContact CD1-CZ 3.93Å; F51-F67 HydrophobicContact CD1-CZ 3.93Å; F51-F67 AromaticContact CE1-CD2 3.74Å; F51-F67 HydrophobicContact CE1-CD2 3.74Å; F51-F67 AromaticContact CE1-CE2 3.96Å; F51-F67 HydrophobicContact CE1-CE2 3.96Å; F51-F67 HydrophobicContact CE1-CG 4.37Å; L52-F67 HydrophobicContact CB-CD1 4.21Å; L52-F67 HydrophobicContact CB-CE1 3.85Å; L52-F67 HydrophobicContact CD1-CD1 4.14Å; L55-F67 HydrophobicContact CD1-CB 4.2Å; L55-F67 HydrophobicContact CD1-CG 4.48Å; E63-F67 VanDerWaalsContact O-CB 3.27Å; E63-F67 WeakPolarHBondContact O-CB 3.26Å; E63-F67 PolarHBondContact O-N 3.35Å; V64-F67 PolarHBondContact O-N 2.85Å; F67-P70 VanDerWaalsContact O-CD 3.27Å; F67-P70 WeakPolarHBondContact O-CD 3.37Å; F67-Y308 AromaticContact CD2-CD1 3.8Å; F67-Y308 HydrophobicContact CD2-CD1 3.8Å; F67-Y308 HydrophobicContact CD2-CG 4.05Å; F67-Y308 HydrophobicContact CE2-CD1 4.28Å; F67-M309 HydrophobicContact CD1-CE 3.51Å; F67-M309 HydrophobicContact CD2-CE 4.42Å; F67-M309 HydrophobicContact CE1-CE 3.21Å; F67-M309 HydrophobicContact CE2-CE 4.17Å; F67-M309 HydrophobicContact CE2-CG 4.08Å; F67-M309 HydrophobicContact CG-CE 4.12Å; F67-M309 HydrophobicContact CZ-CE 3.58Å; F67-M309 HydrophobicContact CZ-CG 4.03Å; F67-M309 VanDerWaalsContact O-CE 3.27Å; F67-M309 WeakPolarHBondContact O-CE 3.14Å |
| 68 | I | 87.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -80.9 | -13.9 | -177 | -68.8 | -80.6 | 0 | 0 | 0 | 113 | L52 V64 Q66 P70 L71 E72 F77 F82 V172 M309 | L52-I68 HydrophobicContact CD1-CD1 4.37Å; L52-I68 HydrophobicContact CD1-CG1 4.31Å; L52-I68 HydrophobicContact CD2-CD1 4.15Å; V64-I68 WeakPolarHBondContact O-CG1 3.18Å; V64-I68 PolarHBondContact O-N 2.9Å; V64-I68 VanDerWaalsContact O-N 3.16Å; Q66-I68 VanDerWaalsContact C-N 3.33Å; Q66-I68 PolarHBondContact O-N 3.47Å; I68-P70 VanDerWaalsContact C-N 3.3Å; I68-P70 VanDerWaalsContact O-N 3.07Å; I68-L71 HydrophobicContact CD1-CD1 4Å; I68-L71 HydrophobicContact CG2-CB 4.48Å; I68-L71 WeakPolarHBondContact O-CB 3.02Å; I68-L71 PolarHBondContact O-N 2.91Å; I68-E72 HydrophobicContact CG2-CG 4.37Å; I68-F77 HydrophobicContact CG2-CE1 3.66Å; I68-F77 HydrophobicContact CG2-CZ 3.61Å; I68-F82 HydrophobicContact CB-CE1 3.97Å; I68-F82 HydrophobicContact CB-CZ 4.37Å; I68-F82 HydrophobicContact CD1-CE1 4.26Å; I68-F82 HydrophobicContact CD1-CE2 4.2Å; I68-F82 HydrophobicContact CD1-CZ 3.77Å; I68-F82 HydrophobicContact CG1-CE1 3.64Å; I68-F82 HydrophobicContact CG1-CE2 4.45Å; I68-F82 HydrophobicContact CG1-CZ 3.57Å; I68-F82 HydrophobicContact CG2-CD1 3.89Å; I68-F82 HydrophobicContact CG2-CE1 3.77Å; I68-F82 HydrophobicContact CG2-CG 4.48Å; I68-F82 HydrophobicContact CG2-CZ 4.25Å; I68-V172 HydrophobicContact CD1-CG1 4.25Å; I68-V172 HydrophobicContact CD1-CG2 3.7Å; I68-M309 HydrophobicContact CD1-CE 4.09Å |
| 69 | Q | 84.3 | Confident | 83.5 | Confident | 96 Ų | 96 | 62 Ų | 62 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -45.6 | -40.2 | -178 | -168.5 | 176 | 19 | 0 | 0 | 115.2 | L65 Q66 L71 E72 | L65-Q69 PolarHBondContact O-N 3.41Å; Q66-Q69 VanDerWaalsContact O-CB 3.29Å; Q66-Q69 WeakPolarHBondContact O-CB 3.45Å; Q66-Q69 PolarHBondContact O-N 3.04Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 2.96Å; Q69-E72 PolarHBondContact O-N 3.17Å |
| 70 | P | 83.5 | Confident | 83.7 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -62.3 | -28.3 | 176.1 | -24 | 36.5 | 0 | 0 | 0 | 114.6 | F67 I68 A305 L313 | F67-P70 VanDerWaalsContact O-CD 3.27Å; F67-P70 WeakPolarHBondContact O-CD 3.37Å; I68-P70 VanDerWaalsContact C-N 3.3Å; I68-P70 VanDerWaalsContact O-N 3.07Å; P70-A305 HydrophobicContact CG-CB 4.47Å; P70-L313 HydrophobicContact CB-CD1 3.92Å |
| 71 | L | 81.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -79.5 | -22.9 | 178.1 | -58.3 | -177.1 | 0 | 0 | 0 | 112.8 | I68 Q69 C73 M74 F77 V172 F175 I176 M309 L313 | I68-L71 HydrophobicContact CD1-CD1 4Å; I68-L71 HydrophobicContact CG2-CB 4.48Å; I68-L71 WeakPolarHBondContact O-CB 3.02Å; I68-L71 PolarHBondContact O-N 2.91Å; Q69-L71 VanDerWaalsContact C-N 3.27Å; Q69-L71 PolarHBondContact O-N 2.96Å; L71-C73 PolarHBondContact O-N 2.84Å; L71-C73 VanDerWaalsContact O-N 3.13Å; L71-M74 HydrophobicContact CD2-SD 3.96Å; L71-M74 WeakPolarHBondContact O-CB 3.19Å; L71-M74 PolarHBondContact O-N 3.11Å; L71-F77 HydrophobicContact CB-CD1 4.06Å; L71-F77 HydrophobicContact CB-CE1 4.22Å; L71-F77 HydrophobicContact CB-CG 4.2Å; L71-F77 WeakPolarHBondContact O-CB 3.39Å; L71-V172 HydrophobicContact CD1-CG1 3.94Å; L71-V172 HydrophobicContact CD1-CG2 4.5Å; L71-F175 HydrophobicContact CD1-CB 4.2Å; L71-F175 HydrophobicContact CD2-CB 3.81Å; L71-F175 HydrophobicContact CD2-CG 4.36Å; L71-I176 HydrophobicContact CD1-CD1 4.45Å; L71-M309 HydrophobicContact CD1-CE 4.08Å; L71-M309 HydrophobicContact CD1-SD 4.16Å; L71-M309 HydrophobicContact CD2-SD 4.14Å; L71-M309 HydrophobicContact CG-CE 4.33Å; L71-M309 HydrophobicContact CG-SD 3.88Å; L71-L313 HydrophobicContact CD2-CD2 3.7Å |
| 72 | E | 78.9 | Confident | 84 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -67.5 | -13 | -178.6 | -58 | -169.5 | 137.4 | 0 | 0 | 114.1 | I68 Q69 F77 R79 R83 | I68-E72 HydrophobicContact CG2-CG 4.37Å; Q69-E72 PolarHBondContact O-N 3.17Å; E72-F77 HydrophobicContact CG-CE1 4.32Å; E72-R79 HydrophobicContact CB-CB 4.25Å; E72-R79 HydrophobicContact CG-CB 4.18Å; E72-R79 WeakPolarHBondContact O-CD 3.37Å; E72-R79 PolarHBondContact O-NH1 2.85Å; E72-R83 VanDerWaalsContact CD-NH2 3.31Å; E72-R83 IonicContact OE1-CZ 3.76Å; E72-R83 IonicContact OE1-NE 2.73Å; E72-R83 PolarHBondContact OE1-NE 3.49Å; E72-R83 IonicContact OE1-NH2 2.77Å; E72-R83 PolarHBondContact OE1-NH2 3.28Å; E72-R83 VanDerWaalsContact OE1-NH2 3.15Å; E72-R83 IonicContact OE2-CZ 3.85Å; E72-R83 IonicContact OE2-NE 3.16Å; E72-R83 IonicContact OE2-NH2 3.54Å; E72-R83 PolarHBondContact OE2-NH2 3.01Å |
| 73 | C | 74.8 | Confident | 84.1 | Confident | 110 Ų | 110 | 68.9 Ų | 68.9 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -86.1 | -4.6 | 173.1 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | L71 | L71-C73 PolarHBondContact O-N 2.84Å; L71-C73 VanDerWaalsContact O-N 3.13Å |
| 74 | M | 77.9 | Confident | 84.3 | Confident | 80 Ų | 80 | 66.2 Ų | 66.2 | 39% | 0.394 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -96.3 | 124.7 | -178.1 | -55.6 | -171.1 | 79 | 0 | 0 | 111.6 | L71 K76 F77 F175 | L71-M74 HydrophobicContact CD2-SD 3.96Å; L71-M74 WeakPolarHBondContact O-CB 3.19Å; L71-M74 PolarHBondContact O-N 3.11Å; M74-K76 PolarHBondContact O-N 3.28Å; M74-F77 HydrophobicContact CB-CB 4.38Å; M74-F77 PolarHBondContact O-N 3.38Å; M74-F175 HydrophobicContact CB-CE1 4.36Å; M74-F175 HydrophobicContact CE-CD1 4Å; M74-F175 HydrophobicContact CE-CE1 4.28Å; M74-F175 HydrophobicContact SD-CD1 3.63Å; M74-F175 HydrophobicContact SD-CE1 4.1Å |
| 75 | D | 70.8 | Confident | 84.4 | Confident | 176 Ų | 176 | 66.7 Ų | 66.7 | 94% | 0.941 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.1 | -174.4 | -62.3 | -45.8 | 0 | 0 | 0 | 115.1 | ||
| 76 | K | 80.4 | Confident | 84.6 | Confident | 157 Ų | 157 | 65.1 Ų | 65.1 | 68% | 0.683 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -18.6 | 176.4 | -74.4 | -178 | 160 | -163 | 0 | 114 | M74 E174 F175 | M74-K76 PolarHBondContact O-N 3.28Å; K76-E174 IonicContact NZ-OE1 3.42Å; K76-E174 PolarHBondContact NZ-OE1 3.45Å; K76-F175 HydrophobicContact CB-CE1 3.94Å; K76-F175 HydrophobicContact CB-CZ 3.69Å |
| 77 | F | 85.9 | Confident | 84.7 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 5% | 0.048 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -88.1 | 119.3 | -173.1 | -178.2 | -110.1 | 0 | 0 | 0 | 110.6 | I68 L71 E72 M74 R79 F82 V172 F175 | I68-F77 HydrophobicContact CG2-CE1 3.66Å; I68-F77 HydrophobicContact CG2-CZ 3.61Å; L71-F77 HydrophobicContact CB-CD1 4.06Å; L71-F77 HydrophobicContact CB-CE1 4.22Å; L71-F77 HydrophobicContact CB-CG 4.2Å; L71-F77 WeakPolarHBondContact O-CB 3.39Å; E72-F77 HydrophobicContact CG-CE1 4.32Å; M74-F77 HydrophobicContact CB-CB 4.38Å; M74-F77 PolarHBondContact O-N 3.38Å; F77-R79 HydrophobicContact CD1-CB 4.04Å; F77-R79 HydrophobicContact CE1-CB 4.2Å; F77-R79 PolarHBondContact O-N 2.87Å; F77-F82 HydrophobicContact CE1-CB 4.15Å; F77-F82 HydrophobicContact CE1-CG 4.31Å; F77-F82 HydrophobicContact CE2-CD2 4.19Å; F77-F82 HydrophobicContact CE2-CG 4.47Å; F77-F82 HydrophobicContact CZ-CB 3.73Å; F77-F82 HydrophobicContact CZ-CD1 4.24Å; F77-F82 AromaticContact CZ-CD2 3.7Å; F77-F82 HydrophobicContact CZ-CD2 3.7Å; F77-F82 HydrophobicContact CZ-CE2 4.4Å; F77-F82 AromaticContact CZ-CG 3.6Å; F77-F82 HydrophobicContact CZ-CG 3.6Å; F77-V172 HydrophobicContact CE2-CG2 3.92Å; F77-V172 HydrophobicContact CZ-CG2 4.38Å; F77-F175 HydrophobicContact CB-CE1 4.37Å; F77-F175 HydrophobicContact CB-CE2 4.08Å; F77-F175 HydrophobicContact CB-CZ 3.86Å; F77-F175 HydrophobicContact CD2-CD2 4.01Å; F77-F175 AromaticContact CD2-CE2 3.75Å; F77-F175 HydrophobicContact CD2-CE2 3.75Å; F77-F175 HydrophobicContact CD2-CZ 4.4Å; F77-F175 HydrophobicContact CG-CE2 4.4Å |
| 78 | D | 85.6 | Confident | 85 | Confident | 78 Ų | 78 | 64.1 Ų | 64.1 | 42% | 0.417 | 30% | 0.301 | S | S | . | . | trans | -76.4 | 74.4 | 177.6 | -172.9 | -6.3 | 0 | 0 | 0 | 111.2 | K80 R81 F82 M171 | D78-K80 PolarHBondContact O-N 2.96Å; D78-K80 PolarHBondContact OD1-N 2.91Å; D78-R81 HydrophobicContact CB-CB 4.22Å; D78-R81 PolarHBondContact O-N 3.23Å; D78-R81 WeakPolarHBondContact OD1-CB 3.33Å; D78-R81 PolarHBondContact OD1-N 2.85Å; D78-R81 WeakPolarHBondContact OD2-CB 3.41Å; D78-F82 PolarHBondContact O-N 3.05Å; D78-M171 HydrophobicContact CB-CE 3.93Å; D78-M171 VanDerWaalsContact O-CE 3.26Å; D78-M171 WeakPolarHBondContact O-CE 3.22Å | ||
| 79 | R | 87.3 | Confident | 85.1 | Confident | 141 Ų | 141 | 65 Ų | 65 | 53% | 0.532 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.8 | -30.2 | 178 | 66.5 | -172.4 | -178.8 | -163.6 | 0.5 | 113.3 | E72 F77 R83 | E72-R79 HydrophobicContact CB-CB 4.25Å; E72-R79 HydrophobicContact CG-CB 4.18Å; E72-R79 WeakPolarHBondContact O-CD 3.37Å; E72-R79 PolarHBondContact O-NH1 2.85Å; F77-R79 HydrophobicContact CD1-CB 4.04Å; F77-R79 HydrophobicContact CE1-CB 4.2Å; F77-R79 PolarHBondContact O-N 2.87Å; R79-R83 WeakPolarHBondContact O-CB 3.41Å; R79-R83 VanDerWaalsContact O-CG 3.31Å; R79-R83 WeakPolarHBondContact O-CG 3.21Å; R79-R83 PolarHBondContact O-N 3.26Å |
| 80 | K | 87.6 | Confident | 85.3 | Confident | 116 Ų | 116 | 62 Ų | 62 | 50% | 0.504 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -70 | -50.5 | 179.1 | -75.3 | -160.7 | 171 | -152.1 | 0 | 110.4 | D78 F82 R83 Y84 F127 | D78-K80 PolarHBondContact O-N 2.96Å; D78-K80 PolarHBondContact OD1-N 2.91Å; K80-F82 VanDerWaalsContact C-N 3.34Å; K80-F82 PolarHBondContact O-N 2.84Å; K80-R83 PolarHBondContact O-N 3.38Å; K80-Y84 WeakPolarHBondContact O-CB 3.35Å; K80-Y84 PolarHBondContact O-N 2.94Å; K80-F127 HydrophobicContact CG-CD1 4.37Å |
| 81 | R | 88.1 | Confident | 85.5 | Confident | 135 Ų | 135 | 60.7 Ų | 60.7 | 51% | 0.509 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 177 | -177.9 | 178.2 | -179.9 | 171.9 | 0.1 | 112.1 | D78 Y84 I85 M171 | D78-R81 HydrophobicContact CB-CB 4.22Å; D78-R81 PolarHBondContact O-N 3.23Å; D78-R81 WeakPolarHBondContact OD1-CB 3.33Å; D78-R81 PolarHBondContact OD1-N 2.85Å; D78-R81 WeakPolarHBondContact OD2-CB 3.41Å; R81-Y84 PolarHBondContact O-N 3.42Å; R81-I85 HydrophobicContact CG-CD1 3.97Å; R81-I85 WeakPolarHBondContact O-CD1 3.28Å; R81-I85 VanDerWaalsContact O-CG1 3.31Å; R81-I85 WeakPolarHBondContact O-CG1 3.26Å; R81-I85 PolarHBondContact O-N 3.23Å; R81-M171 HydrophobicContact CB-CE 3.91Å; R81-M171 HydrophobicContact CG-CE 4.01Å; R81-M171 HydrophobicContact CG-SD 4.02Å |
| 82 | F | 90.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -51.4 | 177.2 | -169.3 | -87.3 | 0 | 0 | 0 | 111.5 | V64 I68 F77 D78 K80 Y84 I85 I86 A168 M171 V172 | V64-F82 HydrophobicContact CG1-CE1 4.19Å; V64-F82 HydrophobicContact CG1-CZ 4.2Å; I68-F82 HydrophobicContact CB-CE1 3.97Å; I68-F82 HydrophobicContact CB-CZ 4.37Å; I68-F82 HydrophobicContact CD1-CE1 4.26Å; I68-F82 HydrophobicContact CD1-CE2 4.2Å; I68-F82 HydrophobicContact CD1-CZ 3.77Å; I68-F82 HydrophobicContact CG1-CE1 3.64Å; I68-F82 HydrophobicContact CG1-CE2 4.45Å; I68-F82 HydrophobicContact CG1-CZ 3.57Å; I68-F82 HydrophobicContact CG2-CD1 3.89Å; I68-F82 HydrophobicContact CG2-CE1 3.77Å; I68-F82 HydrophobicContact CG2-CG 4.48Å; I68-F82 HydrophobicContact CG2-CZ 4.25Å; F77-F82 HydrophobicContact CE1-CB 4.15Å; F77-F82 HydrophobicContact CE1-CG 4.31Å; F77-F82 HydrophobicContact CE2-CD2 4.19Å; F77-F82 HydrophobicContact CE2-CG 4.47Å; F77-F82 HydrophobicContact CZ-CB 3.73Å; F77-F82 HydrophobicContact CZ-CD1 4.24Å; F77-F82 AromaticContact CZ-CD2 3.7Å; F77-F82 HydrophobicContact CZ-CD2 3.7Å; F77-F82 HydrophobicContact CZ-CE2 4.4Å; F77-F82 AromaticContact CZ-CG 3.6Å; F77-F82 HydrophobicContact CZ-CG 3.6Å; D78-F82 PolarHBondContact O-N 3.05Å; K80-F82 VanDerWaalsContact C-N 3.34Å; K80-F82 PolarHBondContact O-N 2.84Å; F82-Y84 VanDerWaalsContact C-N 3.31Å; F82-Y84 PolarHBondContact O-N 2.9Å; F82-I85 PolarHBondContact O-N 2.81Å; F82-I86 HydrophobicContact CD1-CG1 4.03Å; F82-I86 HydrophobicContact CE1-CD1 4.28Å; F82-I86 HydrophobicContact CE1-CG1 3.58Å; F82-I86 HydrophobicContact CZ-CD1 4.24Å; F82-I86 HydrophobicContact CZ-CG1 4.03Å; F82-I86 WeakPolarHBondContact O-CG1 3.37Å; F82-I86 PolarHBondContact O-N 3.16Å; F82-I86 VanDerWaalsContact O-N 3.12Å; F82-A168 HydrophobicContact CE2-CB 3.71Å; F82-A168 HydrophobicContact CZ-CB 4.27Å; F82-M171 HydrophobicContact CB-CE 3.87Å; F82-M171 HydrophobicContact CD2-CE 4.47Å; F82-M171 HydrophobicContact CD2-SD 4.46Å; F82-V172 HydrophobicContact CD2-CG2 4.16Å; F82-V172 HydrophobicContact CE2-CG2 3.64Å; F82-V172 HydrophobicContact CZ-CG2 4.45Å |
| 83 | R | 89.4 | Confident | 86.1 | Confident | 83 Ų | 83 | 60.9 Ų | 60.9 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 175.5 | -75.2 | -176.7 | 177.3 | -155.8 | 0.2 | 112.2 | L65 E72 R79 K80 I86 L87 F127 | L65-R83 HydrophobicContact CD2-CG 4.05Å; E72-R83 VanDerWaalsContact CD-NH2 3.31Å; E72-R83 IonicContact OE1-CZ 3.76Å; E72-R83 IonicContact OE1-NE 2.73Å; E72-R83 PolarHBondContact OE1-NE 3.49Å; E72-R83 IonicContact OE1-NH2 2.77Å; E72-R83 PolarHBondContact OE1-NH2 3.28Å; E72-R83 VanDerWaalsContact OE1-NH2 3.15Å; E72-R83 IonicContact OE2-CZ 3.85Å; E72-R83 IonicContact OE2-NE 3.16Å; E72-R83 IonicContact OE2-NH2 3.54Å; E72-R83 PolarHBondContact OE2-NH2 3.01Å; R79-R83 WeakPolarHBondContact O-CB 3.41Å; R79-R83 VanDerWaalsContact O-CG 3.31Å; R79-R83 WeakPolarHBondContact O-CG 3.21Å; R79-R83 PolarHBondContact O-N 3.26Å; K80-R83 PolarHBondContact O-N 3.38Å; R83-I86 PolarHBondContact O-N 3.3Å; R83-L87 VanDerWaalsContact O-CB 3.27Å; R83-L87 WeakPolarHBondContact O-CB 3.34Å; R83-L87 VanDerWaalsContact O-CG 3.29Å; R83-L87 WeakPolarHBondContact O-CG 3.23Å; R83-L87 PolarHBondContact O-N 3.3Å; R83-F127 HydrophobicContact CB-CD1 4.11Å; R83-F127 HydrophobicContact CB-CD2 4.37Å; R83-F127 HydrophobicContact CB-CE1 4.42Å; R83-F127 HydrophobicContact CB-CG 4.11Å |
| 84 | Y | 90.6 | Very high | 86.4 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 11% | 0.114 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 175.7 | 174.3 | -114.4 | 0 | 0 | 0 | 112.4 | K80 R81 F82 K88 L124 P129 L137 | K80-Y84 WeakPolarHBondContact O-CB 3.35Å; K80-Y84 PolarHBondContact O-N 2.94Å; R81-Y84 PolarHBondContact O-N 3.42Å; F82-Y84 VanDerWaalsContact C-N 3.31Å; F82-Y84 PolarHBondContact O-N 2.9Å; Y84-K88 HydrophobicContact CE1-CD 4.37Å; Y84-K88 HydrophobicContact CE2-CD 4.44Å; Y84-K88 WeakPolarHBondContact O-CB 3.27Å; Y84-K88 PolarHBondContact O-N 2.88Å; Y84-L124 HydrophobicContact CD2-CD2 3.77Å; Y84-L124 HydrophobicContact CE2-CD2 4.23Å; Y84-P129 HydrophobicContact CE1-CG 4.05Å; Y84-L137 HydrophobicContact CE2-CD1 4.42Å |
| 85 | I | 89.5 | Confident | 86.3 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.7 | -50.5 | 179.1 | -68.8 | 160.4 | 0 | 0 | 0 | 110.8 | R81 F82 K88 Q89 E167 M171 | R81-I85 HydrophobicContact CG-CD1 3.97Å; R81-I85 WeakPolarHBondContact O-CD1 3.28Å; R81-I85 VanDerWaalsContact O-CG1 3.31Å; R81-I85 WeakPolarHBondContact O-CG1 3.26Å; R81-I85 PolarHBondContact O-N 3.23Å; F82-I85 PolarHBondContact O-N 2.81Å; I85-K88 PolarHBondContact O-N 3.18Å; I85-Q89 WeakPolarHBondContact O-CG 3.22Å; I85-Q89 PolarHBondContact O-N 3.32Å; I85-E167 HydrophobicContact CD1-CB 4.14Å; I85-E167 HydrophobicContact CG2-CB 4.48Å; I85-M171 HydrophobicContact CD1-SD 3.71Å |
| 86 | I | 92.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -50.3 | -178.6 | -63.2 | -54.1 | 0 | 0 | 0 | 111.9 | I56 W61 V64 L65 F82 R83 K88 Q89 K90 | I56-I86 HydrophobicContact CD1-CD1 4.19Å; I56-I86 HydrophobicContact CG1-CD1 4.42Å; W61-I86 HydrophobicContact CB-CG2 4.36Å; W61-I86 HydrophobicContact CE3-CD1 4.46Å; W61-I86 HydrophobicContact CE3-CG2 4Å; W61-I86 HydrophobicContact CZ3-CD1 4.32Å; V64-I86 HydrophobicContact CG1-CD1 3.74Å; V64-I86 HydrophobicContact CG1-CG1 4Å; V64-I86 HydrophobicContact CG1-CG2 4.41Å; L65-I86 HydrophobicContact CD1-CG2 4.46Å; L65-I86 HydrophobicContact CD2-CB 4.1Å; L65-I86 HydrophobicContact CD2-CG1 4.44Å; L65-I86 HydrophobicContact CD2-CG2 3.88Å; L65-I86 HydrophobicContact CG-CG2 3.96Å; F82-I86 HydrophobicContact CD1-CG1 4.03Å; F82-I86 HydrophobicContact CE1-CD1 4.28Å; F82-I86 HydrophobicContact CE1-CG1 3.58Å; F82-I86 HydrophobicContact CZ-CD1 4.24Å; F82-I86 HydrophobicContact CZ-CG1 4.03Å; F82-I86 WeakPolarHBondContact O-CG1 3.37Å; F82-I86 PolarHBondContact O-N 3.16Å; F82-I86 VanDerWaalsContact O-N 3.12Å; R83-I86 PolarHBondContact O-N 3.3Å; I86-K88 VanDerWaalsContact C-N 3.3Å; I86-K88 PolarHBondContact O-N 3.44Å; I86-Q89 PolarHBondContact O-N 3.4Å; I86-K90 PolarHBondContact O-N 3.3Å |
| 87 | L | 89.3 | Confident | 85.9 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -31.9 | -179.5 | -67.9 | 172.4 | 0 | 0 | 0 | 112.2 | L65 R83 K90 F91 L124 F127 | L65-L87 HydrophobicContact CD1-CD2 3.98Å; L65-L87 HydrophobicContact CD1-CG 4.43Å; R83-L87 VanDerWaalsContact O-CB 3.27Å; R83-L87 WeakPolarHBondContact O-CB 3.34Å; R83-L87 VanDerWaalsContact O-CG 3.29Å; R83-L87 WeakPolarHBondContact O-CG 3.23Å; R83-L87 PolarHBondContact O-N 3.3Å; L87-K90 PolarHBondContact O-N 2.93Å; L87-F91 WeakPolarHBondContact O-CB 3.36Å; L87-F91 PolarHBondContact O-N 3.08Å; L87-L124 HydrophobicContact CB-CD2 3.61Å; L87-L124 HydrophobicContact CB-CG 3.82Å; L87-F127 HydrophobicContact CD1-CD2 3.85Å; L87-F127 HydrophobicContact CD1-CE2 4.16Å |
| 88 | K | 89.8 | Confident | 84.8 | Confident | 63 Ų | 63 | 40.3 Ų | 40.3 | 27% | 0.274 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.8 | 179.6 | -179.4 | 176.7 | -176.1 | 0 | 111.1 | Y84 I85 I86 F91 L92 L124 | Y84-K88 HydrophobicContact CE1-CD 4.37Å; Y84-K88 HydrophobicContact CE2-CD 4.44Å; Y84-K88 WeakPolarHBondContact O-CB 3.27Å; Y84-K88 PolarHBondContact O-N 2.88Å; I85-K88 PolarHBondContact O-N 3.18Å; I86-K88 VanDerWaalsContact C-N 3.3Å; I86-K88 PolarHBondContact O-N 3.44Å; K88-F91 PolarHBondContact O-N 3.05Å; K88-L92 HydrophobicContact CG-CD1 4.12Å; K88-L92 VanDerWaalsContact O-CG 3.28Å; K88-L92 WeakPolarHBondContact O-CG 3.36Å; K88-L92 PolarHBondContact O-N 2.88Å; K88-L124 HydrophobicContact CB-CD2 4.33Å |
| 89 | Q | 89.1 | Confident | 83.5 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 9% | 0.089 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.5 | -40.2 | 175.5 | -59.6 | -63.9 | 2.7 | 0 | 0 | 111.8 | W61 I85 I86 F91 L92 E93 C164 | W61-Q89 HydrophobicContact CH2-CB 3.62Å; W61-Q89 HydrophobicContact CH2-CG 4.31Å; W61-Q89 HydrophobicContact CZ2-CB 3.77Å; W61-Q89 HydrophobicContact CZ3-CB 4.13Å; I85-Q89 WeakPolarHBondContact O-CG 3.22Å; I85-Q89 PolarHBondContact O-N 3.32Å; I86-Q89 PolarHBondContact O-N 3.4Å; Q89-F91 VanDerWaalsContact C-N 3.28Å; Q89-F91 PolarHBondContact O-N 2.91Å; Q89-L92 PolarHBondContact O-N 3.07Å; Q89-E93 WeakPolarHBondContact O-CG 3.27Å; Q89-E93 PolarHBondContact O-N 2.84Å; Q89-C164 HydrophobicContact CG-CB 3.89Å |
| 90 | K | 89.1 | Confident | 82 | Confident | 32 Ų | 32 | 33.9 Ų | 33.9 | 14% | 0.139 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -53.7 | -44.9 | 171.9 | -169.2 | 179.6 | -170.1 | -178.6 | 0 | 111.9 | W61 D62 I86 L87 A94 | W61-K90 HydrophobicContact CB-CB 4.06Å; W61-K90 HydrophobicContact CB-CD 3.96Å; W61-K90 HydrophobicContact CB-CG 4.05Å; W61-K90 HydrophobicContact CD2-CB 4.49Å; W61-K90 HydrophobicContact CG-CB 3.84Å; W61-K90 HydrophobicContact CG-CD 4.5Å; W61-K90 HydrophobicContact CG-CG 4.04Å; D62-K90 IonicContact OD1-NZ 2.71Å; D62-K90 PolarHBondContact OD1-NZ 3.37Å; D62-K90 IonicContact OD2-NZ 3.8Å; D62-K90 PolarHBondContact OD2-NZ 2.57Å; I86-K90 PolarHBondContact O-N 3.3Å; L87-K90 PolarHBondContact O-N 2.93Å; K90-A94 WeakPolarHBondContact O-CB 3.43Å; K90-A94 PolarHBondContact O-N 3.11Å; K90-A94 VanDerWaalsContact O-N 3.09Å |
| 91 | F | 88.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -46 | 176.1 | 172.3 | -108.7 | 0 | 0 | 0 | 113.3 | L87 K88 Q89 E93 A94 L95 A117 C120 L121 L124 L137 L140 L141 | L87-F91 WeakPolarHBondContact O-CB 3.36Å; L87-F91 PolarHBondContact O-N 3.08Å; K88-F91 PolarHBondContact O-N 3.05Å; Q89-F91 VanDerWaalsContact C-N 3.28Å; Q89-F91 PolarHBondContact O-N 2.91Å; F91-E93 VanDerWaalsContact C-N 3.33Å; F91-E93 PolarHBondContact O-N 2.98Å; F91-A94 PolarHBondContact O-N 3.35Å; F91-L95 HydrophobicContact CD1-CD1 4.07Å; F91-L95 HydrophobicContact CE1-CD1 3.49Å; F91-L95 VanDerWaalsContact CE1-CD1 3.49Å; F91-L95 HydrophobicContact CE1-CG 4.38Å; F91-L95 HydrophobicContact CE2-CD1 4.05Å; F91-L95 HydrophobicContact CE2-CD2 4.5Å; F91-L95 HydrophobicContact CE2-CG 4.13Å; F91-L95 HydrophobicContact CZ-CD1 3.48Å; F91-L95 VanDerWaalsContact CZ-CD1 3.48Å; F91-L95 HydrophobicContact CZ-CD2 4.5Å; F91-L95 HydrophobicContact CZ-CG 4.08Å; F91-L95 WeakPolarHBondContact O-CG 3.32Å; F91-L95 PolarHBondContact O-N 2.86Å; F91-A117 WeakPolarHBondContact CD2-O 3.28Å; F91-C120 HydrophobicContact CB-CB 4.36Å; F91-L121 HydrophobicContact CD2-CB 4.06Å; F91-L121 HydrophobicContact CE1-CD1 4.4Å; F91-L121 HydrophobicContact CE2-CB 3.79Å; F91-L121 HydrophobicContact CE2-CD1 4.13Å; F91-L121 HydrophobicContact CE2-CD2 4.25Å; F91-L121 HydrophobicContact CE2-CG 4.29Å; F91-L121 HydrophobicContact CZ-CB 4.49Å; F91-L121 HydrophobicContact CZ-CD1 4.01Å; F91-L121 HydrophobicContact CZ-CD2 4.32Å; F91-L124 HydrophobicContact CB-CD1 3.69Å; F91-L124 HydrophobicContact CD1-CD1 4.36Å; F91-L124 HydrophobicContact CG-CD1 4.05Å; F91-L137 HydrophobicContact CD1-CD2 4.05Å; F91-L137 HydrophobicContact CE1-CB 3.94Å; F91-L137 HydrophobicContact CE1-CD2 3.88Å; F91-L137 HydrophobicContact CE1-CG 4.46Å; F91-L137 HydrophobicContact CZ-CB 4.49Å; F91-L137 WeakPolarHBondContact CZ-O 3.36Å; F91-L140 HydrophobicContact CE1-CD1 4.42Å; F91-L141 HydrophobicContact CE2-CD2 4.32Å; F91-L141 HydrophobicContact CE2-CG 4.2Å; F91-L141 HydrophobicContact CZ-CG 4.19Å |
| 92 | L | 86.3 | Confident | 78.6 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.5 | -34.6 | 179.2 | -70.8 | 170.6 | 0 | 0 | 0 | 112.6 | K88 Q89 C96 L140 L146 F152 W155 | K88-L92 HydrophobicContact CG-CD1 4.12Å; K88-L92 VanDerWaalsContact O-CG 3.28Å; K88-L92 WeakPolarHBondContact O-CG 3.36Å; K88-L92 PolarHBondContact O-N 2.88Å; Q89-L92 PolarHBondContact O-N 3.07Å; L92-C96 WeakPolarHBondContact O-CB 3.47Å; L92-C96 PolarHBondContact O-N 3Å; L92-L140 HydrophobicContact CD2-CD1 3.75Å; L92-L146 HydrophobicContact CD2-CD1 4.03Å; L92-L146 HydrophobicContact CD2-CD2 4.39Å; L92-F152 HydrophobicContact CD1-CE1 3.79Å; L92-F152 HydrophobicContact CD1-CZ 4.32Å; L92-F152 HydrophobicContact CD2-CD1 4.38Å; L92-F152 HydrophobicContact CD2-CE1 3.86Å; L92-F152 HydrophobicContact CD2-CZ 3.98Å; L92-W155 HydrophobicContact CB-CH2 4.29Å; L92-W155 HydrophobicContact CB-CZ2 3.72Å |
| 93 | E | 84.8 | Confident | 76.7 | Confident | 21 Ų | 21 | 32.2 Ų | 32.2 | 10% | 0.098 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.5 | -44.8 | 173.4 | -72.8 | -169.9 | 170.8 | 0 | 0 | 112.4 | W61 Q89 F91 L95 C96 V97 W155 R161 | W61-E93 PolarHBondContact NE1-OE2 2.81Å; Q89-E93 WeakPolarHBondContact O-CG 3.27Å; Q89-E93 PolarHBondContact O-N 2.84Å; F91-E93 VanDerWaalsContact C-N 3.33Å; F91-E93 PolarHBondContact O-N 2.98Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 2.95Å; E93-C96 WeakPolarHBondContact O-CB 3.42Å; E93-C96 PolarHBondContact O-N 3.49Å; E93-V97 VanDerWaalsContact O-CG2 3.23Å; E93-V97 WeakPolarHBondContact O-CG2 3.47Å; E93-V97 PolarHBondContact O-N 3.19Å; E93-W155 HydrophobicContact CG-CH2 3.98Å; E93-W155 HydrophobicContact CG-CZ2 4.43Å; E93-R161 WeakPolarHBondContact OE1-CG 3.29Å; E93-R161 IonicContact OE1-CZ 3.15Å; E93-R161 IonicContact OE1-NE 3.84Å; E93-R161 PolarHBondContact OE1-NE 2.88Å; E93-R161 IonicContact OE1-NH2 3.61Å; E93-R161 PolarHBondContact OE1-NH2 3.28Å; E93-R161 IonicContact OE2-CZ 3.43Å; E93-R161 IonicContact OE2-NE 2.67Å; E93-R161 IonicContact OE2-NH2 2.82Å; E93-R161 PolarHBondContact OE2-NH2 3.34Å |
| 94 | A | 81 | Confident | 74.7 | Confident | 14 Ų | 14 | 37 Ų | 37 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.8 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K90 F91 N98 A117 | K90-A94 WeakPolarHBondContact O-CB 3.43Å; K90-A94 PolarHBondContact O-N 3.11Å; K90-A94 VanDerWaalsContact O-N 3.09Å; F91-A94 PolarHBondContact O-N 3.35Å; A94-N98 WeakPolarHBondContact O-CB 2.91Å; A94-N98 PolarHBondContact O-N 2.97Å; A94-N98 VanDerWaalsContact O-N 3.15Å; A94-A117 HydrophobicContact CB-CB 3.95Å |
| 95 | L | 77.3 | Confident | 72.9 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 171.8 | -77.5 | 179.3 | 0 | 0 | 0 | 113.3 | F91 E93 V97 N99 L140 L141 | F91-L95 HydrophobicContact CD1-CD1 4.07Å; F91-L95 HydrophobicContact CE1-CD1 3.49Å; F91-L95 VanDerWaalsContact CE1-CD1 3.49Å; F91-L95 HydrophobicContact CE1-CG 4.38Å; F91-L95 HydrophobicContact CE2-CD1 4.05Å; F91-L95 HydrophobicContact CE2-CD2 4.5Å; F91-L95 HydrophobicContact CE2-CG 4.13Å; F91-L95 HydrophobicContact CZ-CD1 3.48Å; F91-L95 VanDerWaalsContact CZ-CD1 3.48Å; F91-L95 HydrophobicContact CZ-CD2 4.5Å; F91-L95 HydrophobicContact CZ-CG 4.08Å; F91-L95 WeakPolarHBondContact O-CG 3.32Å; F91-L95 PolarHBondContact O-N 2.86Å; E93-L95 VanDerWaalsContact C-N 3.28Å; E93-L95 PolarHBondContact O-N 2.95Å; L95-V97 VanDerWaalsContact C-N 3.31Å; L95-V97 PolarHBondContact O-N 3Å; L95-N99 VanDerWaalsContact O-CG 3.25Å; L95-N99 PolarHBondContact O-N 3.29Å; L95-N99 PolarHBondContact O-ND2 2.93Å; L95-L140 HydrophobicContact CD1-CB 3.71Å; L95-L140 HydrophobicContact CD1-CD1 4.43Å; L95-L141 HydrophobicContact CD2-CD2 3.73Å; L95-L141 HydrophobicContact CD2-CG 4.34Å |
| 96 | C | 74.6 | Confident | 71.1 | Confident | 36 Ų | 36 | 46.3 Ų | 46.3 | 24% | 0.243 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -41.2 | -180 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | L92 E93 N99 A100 W155 | L92-C96 WeakPolarHBondContact O-CB 3.47Å; L92-C96 PolarHBondContact O-N 3Å; E93-C96 WeakPolarHBondContact O-CB 3.42Å; E93-C96 PolarHBondContact O-N 3.49Å; C96-N99 PolarHBondContact O-N 2.9Å; C96-A100 PolarHBondContact O-N 3.15Å; C96-W155 HydrophobicContact CB-CH2 4.11Å; C96-W155 HydrophobicContact CB-CZ3 3.62Å |
| 97 | V | 68.6 | Low | 69.4 | Low | 17 Ų | 17 | 50.8 Ų | 50.8 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.1 | -42.7 | -177.8 | 174 | 0 | 0 | 0 | 0 | 111.1 | E93 L95 N99 A100 M101 T113 L291 | E93-V97 VanDerWaalsContact O-CG2 3.23Å; E93-V97 WeakPolarHBondContact O-CG2 3.47Å; E93-V97 PolarHBondContact O-N 3.19Å; L95-V97 VanDerWaalsContact C-N 3.31Å; L95-V97 PolarHBondContact O-N 3Å; V97-N99 PolarHBondContact O-N 3.2Å; V97-A100 PolarHBondContact O-N 2.73Å; V97-M101 PolarHBondContact O-N 2.74Å; V97-T113 HydrophobicContact CG1-CG2 4.3Å; V97-L291 HydrophobicContact CB-CD1 3.88Å; V97-L291 HydrophobicContact CG1-CB 4.22Å; V97-L291 HydrophobicContact CG1-CD1 3.55Å; V97-L291 HydrophobicContact CG1-CG 4.5Å; V97-L291 HydrophobicContact CG2-CD1 3.17Å |
| 98 | N | 61.1 | Low | 67.8 | Low | 30 Ų | 30 | 57.7 Ų | 57.7 | 16% | 0.16 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.3 | -28.5 | 173.3 | -162.7 | 43.2 | 0 | 0 | 0 | 112.6 | A94 M110 T113 | A94-N98 WeakPolarHBondContact O-CB 2.91Å; A94-N98 PolarHBondContact O-N 2.97Å; A94-N98 VanDerWaalsContact O-N 3.15Å; N98-M110 WeakPolarHBondContact OD1-CG 3.45Å; N98-T113 HydrophobicContact CB-CG2 4.21Å |
| 99 | N | 58.7 | Low | 66.3 | Low | 44 Ų | 44 | 57.7 Ų | 57.7 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -8.5 | 176.6 | -69.1 | -43.9 | 0 | 0 | 0 | 114.2 | L95 C96 V97 P144 L146 | L95-N99 VanDerWaalsContact O-CG 3.25Å; L95-N99 PolarHBondContact O-N 3.29Å; L95-N99 PolarHBondContact O-ND2 2.93Å; C96-N99 PolarHBondContact O-N 2.9Å; V97-N99 PolarHBondContact O-N 3.2Å; N99-P144 PolarHBondContact OD1-O 3.16Å; N99-L146 PolarHBondContact ND2-N 3.29Å |
| 100 | A | 56.3 | Low | 64.7 | Low | 40 Ų | 40 | 59.9 Ų | 59.9 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -30.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | C96 V97 S102 I288 | C96-A100 PolarHBondContact O-N 3.15Å; V97-A100 PolarHBondContact O-N 2.73Å; A100-S102 PolarHBondContact O-N 3.47Å; A100-I288 HydrophobicContact CB-CD1 3.72Å; A100-I288 HydrophobicContact CB-CG1 3.75Å; A100-I288 HydrophobicContact CB-CG2 3.96Å |
| 101 | M | 55 | Low | 63.4 | Low | 73 Ų | 73 | 64 Ų | 64 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -75.6 | 117.4 | 168.9 | -66.3 | -66.6 | -75.3 | 0 | 0 | 109 | V97 I288 | V97-M101 PolarHBondContact O-N 2.74Å; M101-I288 HydrophobicContact SD-CG2 4.47Å |
| 102 | S | 50.1 | Low | 62.2 | Low | 73 Ų | 73 | 69.9 Ų | 69.9 | 51% | 0.51 | 38% | 0.375 | S | S | . | . | trans | -75.7 | 142.2 | 172.4 | -64.4 | 0 | 0 | 0 | 0 | 109.3 | A100 E104 D105 | A100-S102 PolarHBondContact O-N 3.47Å; S102-E104 PolarHBondContact O-N 3.38Å; S102-D105 PolarHBondContact O-N 3.33Å | ||
| 103 | A | 49 | Very low | 61.2 | Low | 70 Ų | 70 | 70.6 Ų | 70.6 | 58% | 0.579 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 5.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | M110 | A103-M110 HydrophobicContact CB-CE 3.8Å; A103-M110 HydrophobicContact CB-SD 4.16Å |
| 104 | E | 48.5 | Very low | 60.6 | Low | 183 Ų | 183 | 74.2 Ų | 74.2 | 86% | 0.855 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -25.7 | -178.2 | -60.4 | -175.6 | 174.2 | 0 | 0 | 112.7 | S102 | S102-E104 PolarHBondContact O-N 3.38Š|
| 105 | D | 51.6 | Low | 60.4 | Low | 126 Ų | 126 | 77.5 Ų | 77.5 | 67% | 0.674 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -51.1 | -169.4 | -71.6 | -46.7 | 0 | 0 | 0 | 114.1 | S102 | S102-D105 PolarHBondContact O-N 3.33Š|
| 106 | E | 53 | Low | 60.4 | Low | 110 Ų | 110 | 80.7 Ų | 80.7 | 51% | 0.514 | 43% | 0.425 | S | S | . | . | trans | -151.2 | 115.4 | 168.5 | -77.9 | -155.8 | 166.8 | 0 | 0 | 113.4 | Q108 H109 | E106-Q108 PolarHBondContact O-N 3.05Å; E106-H109 HydrophobicContact CB-CB 4.37Å; E106-H109 IonicContact OE2-CD2 2.7Å; E106-H109 PolarHBondContact OE2-CD2 3.28Å | ||
| 107 | P | 55.9 | Low | 60.7 | Low | 93 Ų | 93 | 79 Ų | 79 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -72.2 | -27.6 | -177.8 | 27 | -33.9 | 0 | 0 | 0 | 114.1 | E111 | P107-E111 PolarHBondContact O-N 3.1Å |
| 108 | Q | 55.9 | Low | 61.4 | Low | 160 Ų | 160 | 80.6 Ų | 80.6 | 75% | 0.748 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -70 | -35.2 | -178.6 | -64.1 | -178.5 | 4.7 | 0 | 0 | 112.2 | E106 F112 | E106-Q108 PolarHBondContact O-N 3.05Å; Q108-F112 PolarHBondContact O-N 3.05Å |
| 109 | H | 57.1 | Low | 62.6 | Low | 63 Ų | 63 | 85.1 Ų | 85.1 | 29% | 0.292 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.5 | -38.7 | 178.6 | -110.7 | -76.3 | 0 | 0 | 0 | 112.3 | E106 E111 F112 T113 S292 | E106-H109 HydrophobicContact CB-CB 4.37Å; E106-H109 IonicContact OE2-CD2 2.7Å; E106-H109 PolarHBondContact OE2-CD2 3.28Å; H109-E111 VanDerWaalsContact C-N 3.35Å; H109-E111 PolarHBondContact O-N 2.63Å; H109-F112 PolarHBondContact O-N 3.31Å; H109-T113 PolarHBondContact O-N 2.95Å; H109-T113 VanDerWaalsContact O-N 3.11Å; H109-T113 PolarHBondContact O-OG1 2.88Å; H109-S292 VanDerWaalsContact CE1-CB 3.5Å; H109-S292 WeakPolarHBondContact CE1-CB 3.29Å |
| 110 | M | 57.1 | Low | 63.8 | Low | 65 Ų | 65 | 83.5 Ų | 83.5 | 32% | 0.32 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 177.1 | -169.6 | 170.2 | 58.3 | 0 | 0 | 112.2 | N98 A103 T113 M114 | N98-M110 WeakPolarHBondContact OD1-CG 3.45Å; A103-M110 HydrophobicContact CB-CE 3.8Å; A103-M110 HydrophobicContact CB-SD 4.16Å; M110-T113 PolarHBondContact O-N 3.09Å; M110-M114 WeakPolarHBondContact O-CB 3.45Å; M110-M114 PolarHBondContact O-N 2.75Å |
| 111 | E | 61.8 | Low | 65.2 | Low | 119 Ų | 119 | 82 Ų | 82 | 56% | 0.556 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 175.5 | -165.7 | 179.5 | 169.7 | 0 | 0 | 111.9 | P107 H109 M114 Q115 | P107-E111 PolarHBondContact O-N 3.1Å; H109-E111 VanDerWaalsContact C-N 3.35Å; H109-E111 PolarHBondContact O-N 2.63Å; E111-M114 PolarHBondContact O-N 3.11Å; E111-Q115 VanDerWaalsContact O-CG 3.28Å; E111-Q115 WeakPolarHBondContact O-CG 3.14Å; E111-Q115 PolarHBondContact O-N 3.39Å |
| 112 | F | 62.1 | Low | 66.7 | Low | 123 Ų | 123 | 84.1 Ų | 84.1 | 54% | 0.539 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 176.9 | -174.5 | -89.6 | 0 | 0 | 0 | 112.3 | Q108 H109 M114 Q115 E116 | Q108-F112 PolarHBondContact O-N 3.05Å; H109-F112 PolarHBondContact O-N 3.31Å; F112-M114 VanDerWaalsContact C-N 3.35Å; F112-M114 PolarHBondContact O-N 2.86Å; F112-Q115 PolarHBondContact O-N 3.3Å; F112-E116 PolarHBondContact O-N 2.97Å |
| 113 | T | 66.6 | Low | 68.3 | Low | 17 Ų | 17 | 82.9 Ų | 82.9 | 10% | 0.104 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 178.8 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | V97 N98 H109 M110 E116 A117 | V97-T113 HydrophobicContact CG1-CG2 4.3Å; N98-T113 HydrophobicContact CB-CG2 4.21Å; H109-T113 PolarHBondContact O-N 2.95Å; H109-T113 VanDerWaalsContact O-N 3.11Å; H109-T113 PolarHBondContact O-OG1 2.88Å; M110-T113 PolarHBondContact O-N 3.09Å; T113-E116 PolarHBondContact O-N 3.39Å; T113-A117 PolarHBondContact O-N 3.5Å |
| 114 | M | 71.9 | Confident | 70.1 | Confident | 98 Ų | 98 | 79.6 Ų | 79.6 | 48% | 0.483 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 175.1 | -167.1 | 177.2 | 74.5 | 0 | 0 | 112 | M110 E111 F112 E116 A117 V118 | M110-M114 WeakPolarHBondContact O-CB 3.45Å; M110-M114 PolarHBondContact O-N 2.75Å; E111-M114 PolarHBondContact O-N 3.11Å; F112-M114 VanDerWaalsContact C-N 3.35Å; F112-M114 PolarHBondContact O-N 2.86Å; M114-E116 VanDerWaalsContact C-N 3.29Å; M114-E116 PolarHBondContact O-N 3.47Å; M114-A117 PolarHBondContact O-N 3.36Å; M114-V118 WeakPolarHBondContact O-CG2 3.38Å; M114-V118 PolarHBondContact O-N 2.8Å |
| 115 | Q | 75.8 | Confident | 71.9 | Confident | 83 Ų | 83 | 76.2 Ų | 76.2 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.3 | -36.6 | 172.7 | -73.5 | 177.6 | 23.1 | 0 | 0 | 112.1 | E111 F112 K119 | E111-Q115 VanDerWaalsContact O-CG 3.28Å; E111-Q115 WeakPolarHBondContact O-CG 3.14Å; E111-Q115 PolarHBondContact O-N 3.39Å; F112-Q115 PolarHBondContact O-N 3.3Å; Q115-K119 WeakPolarHBondContact O-CB 3.46Å; Q115-K119 WeakPolarHBondContact O-CD 3.22Å; Q115-K119 WeakPolarHBondContact O-CG 3.42Å; Q115-K119 PolarHBondContact O-N 3.09Å |
| 116 | E | 77.6 | Confident | 73.4 | Confident | 72 Ų | 72 | 77 Ų | 77 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.2 | -42.4 | 176.4 | -171.8 | 168.4 | -165.3 | 0 | 0 | 112.4 | F112 T113 M114 V118 K119 C120 | F112-E116 PolarHBondContact O-N 2.97Å; T113-E116 PolarHBondContact O-N 3.39Å; M114-E116 VanDerWaalsContact C-N 3.29Å; M114-E116 PolarHBondContact O-N 3.47Å; E116-V118 VanDerWaalsContact C-N 3.35Å; E116-V118 PolarHBondContact O-N 2.78Å; E116-K119 PolarHBondContact O-N 3.22Å; E116-C120 PolarHBondContact O-N 2.91Å; E116-C120 PolarHBondContact O-SG 2.7Å |
| 117 | A | 80.9 | Confident | 75 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | F91 A94 T113 M114 C120 L121 L141 | F91-A117 WeakPolarHBondContact CD2-O 3.28Å; A94-A117 HydrophobicContact CB-CB 3.95Å; T113-A117 PolarHBondContact O-N 3.5Å; M114-A117 PolarHBondContact O-N 3.36Å; A117-C120 PolarHBondContact O-N 2.94Å; A117-L121 PolarHBondContact O-N 3.48Å; A117-L141 HydrophobicContact CB-CD2 4.36Å |
| 118 | V | 84.3 | Confident | 76.3 | Confident | 51 Ų | 51 | 69.7 Ų | 69.7 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | M114 E116 C120 L121 H122 L141 | M114-V118 WeakPolarHBondContact O-CG2 3.38Å; M114-V118 PolarHBondContact O-N 2.8Å; E116-V118 VanDerWaalsContact C-N 3.35Å; E116-V118 PolarHBondContact O-N 2.78Å; V118-C120 VanDerWaalsContact C-N 3.34Å; V118-C120 PolarHBondContact O-N 3.27Å; V118-L121 PolarHBondContact O-N 3.24Å; V118-H122 PolarHBondContact O-CD2 3.13Å; V118-H122 VanDerWaalsContact O-CD2 3.23Å; V118-H122 PolarHBondContact O-N 2.88Å; V118-L141 HydrophobicContact CG2-CD1 4.2Å; V118-L141 HydrophobicContact CG2-CD2 4.31Å |
| 119 | K | 84.9 | Confident | 77.4 | Confident | 125 Ų | 125 | 66.5 Ų | 66.5 | 54% | 0.543 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 173.2 | -73.6 | 162.4 | -170.1 | 164.6 | 0 | 111.7 | Q115 E116 H122 A123 | Q115-K119 WeakPolarHBondContact O-CB 3.46Å; Q115-K119 WeakPolarHBondContact O-CD 3.22Å; Q115-K119 WeakPolarHBondContact O-CG 3.42Å; Q115-K119 PolarHBondContact O-N 3.09Å; E116-K119 PolarHBondContact O-N 3.22Å; K119-H122 PolarHBondContact O-N 3.4Å; K119-A123 PolarHBondContact O-N 3.4Å; K119-A123 VanDerWaalsContact O-N 3.09Å |
| 120 | C | 84.4 | Confident | 78.7 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 176.4 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | F91 E116 A117 V118 A123 L124 | F91-C120 HydrophobicContact CB-CB 4.36Å; E116-C120 PolarHBondContact O-N 2.91Å; E116-C120 PolarHBondContact O-SG 2.7Å; A117-C120 PolarHBondContact O-N 2.94Å; V118-C120 VanDerWaalsContact C-N 3.34Å; V118-C120 PolarHBondContact O-N 3.27Å; C120-A123 PolarHBondContact O-N 3.16Å; C120-L124 PolarHBondContact O-N 2.93Å |
| 121 | L | 85.9 | Confident | 79.9 | Confident | 9 Ų | 9 | 71 Ų | 71 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 175.2 | -174.3 | 61.7 | 0 | 0 | 0 | 112.1 | F91 A117 V118 A123 L124 E125 Y134 L137 L141 | F91-L121 HydrophobicContact CD2-CB 4.06Å; F91-L121 HydrophobicContact CE1-CD1 4.4Å; F91-L121 HydrophobicContact CE2-CB 3.79Å; F91-L121 HydrophobicContact CE2-CD1 4.13Å; F91-L121 HydrophobicContact CE2-CD2 4.25Å; F91-L121 HydrophobicContact CE2-CG 4.29Å; F91-L121 HydrophobicContact CZ-CB 4.49Å; F91-L121 HydrophobicContact CZ-CD1 4.01Å; F91-L121 HydrophobicContact CZ-CD2 4.32Å; A117-L121 PolarHBondContact O-N 3.48Å; V118-L121 PolarHBondContact O-N 3.24Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.48Å; L121-L124 WeakPolarHBondContact O-CB 3.47Å; L121-L124 PolarHBondContact O-N 2.82Å; L121-E125 PolarHBondContact O-N 2.81Å; L121-Y134 HydrophobicContact CD1-CD2 4.17Å; L121-Y134 HydrophobicContact CD1-CE2 3.69Å; L121-Y134 HydrophobicContact CG-CE2 3.93Å; L121-Y134 WeakPolarHBondContact O-CE2 3.49Å; L121-L137 HydrophobicContact CD1-CB 3.75Å; L121-L141 HydrophobicContact CD2-CD1 3.32Å; L121-L141 HydrophobicContact CD2-CG 4.31Å |
| 122 | H | 86.1 | Confident | 80.9 | Confident | 118 Ų | 118 | 70.9 Ų | 70.9 | 55% | 0.546 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | 174 | -74.4 | -57.6 | 0 | 0 | 0 | 112.4 | V118 K119 L124 E125 | V118-H122 PolarHBondContact O-CD2 3.13Å; V118-H122 VanDerWaalsContact O-CD2 3.23Å; V118-H122 PolarHBondContact O-N 2.88Å; K119-H122 PolarHBondContact O-N 3.4Å; H122-L124 VanDerWaalsContact C-N 3.27Å; H122-L124 PolarHBondContact O-N 3.02Å; H122-E125 WeakPolarHBondContact O-CB 3.37Å; H122-E125 PolarHBondContact O-N 3.43Å |
| 123 | A | 84.8 | Confident | 81.8 | Confident | 47 Ų | 47 | 67.1 Ų | 67.1 | 39% | 0.388 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.1 | -27.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K119 C120 L121 F127 | K119-A123 PolarHBondContact O-N 3.4Å; K119-A123 VanDerWaalsContact O-N 3.09Å; C120-A123 PolarHBondContact O-N 3.16Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.48Å; A123-F127 WeakPolarHBondContact O-CD2 3.17Å; A123-F127 WeakPolarHBondContact O-CE2 3.3Å |
| 124 | L | 85.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -74.3 | -24.6 | 176.7 | -86.7 | 161.8 | 0 | 0 | 0 | 114 | Y84 L87 K88 F91 C120 L121 H122 E126 F127 C128 L137 | Y84-L124 HydrophobicContact CD2-CD2 3.77Å; Y84-L124 HydrophobicContact CE2-CD2 4.23Å; L87-L124 HydrophobicContact CB-CD2 3.61Å; L87-L124 HydrophobicContact CB-CG 3.82Å; K88-L124 HydrophobicContact CB-CD2 4.33Å; F91-L124 HydrophobicContact CB-CD1 3.69Å; F91-L124 HydrophobicContact CD1-CD1 4.36Å; F91-L124 HydrophobicContact CG-CD1 4.05Å; C120-L124 PolarHBondContact O-N 2.93Å; L121-L124 WeakPolarHBondContact O-CB 3.47Å; L121-L124 PolarHBondContact O-N 2.82Å; H122-L124 VanDerWaalsContact C-N 3.27Å; H122-L124 PolarHBondContact O-N 3.02Å; L124-E126 VanDerWaalsContact C-N 3.25Å; L124-E126 PolarHBondContact O-N 3.1Å; L124-F127 PolarHBondContact O-N 3.32Å; L124-C128 PolarHBondContact O-N 3.1Å; L124-L137 HydrophobicContact CD1-CD1 4.37Å |
| 125 | E | 85.9 | Confident | 83.4 | Confident | 112 Ų | 112 | 66.6 Ų | 66.6 | 52% | 0.523 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -37.5 | -174.9 | -166.5 | 170.1 | 164.5 | 0 | 0 | 112.8 | L121 H122 F127 Y134 | L121-E125 PolarHBondContact O-N 2.81Å; H122-E125 WeakPolarHBondContact O-CB 3.37Å; H122-E125 PolarHBondContact O-N 3.43Å; E125-F127 VanDerWaalsContact C-N 3.35Å; E125-F127 PolarHBondContact O-N 2.85Å; E125-Y134 HydrophobicContact CB-CD2 4.29Å; E125-Y134 HydrophobicContact CB-CE1 4.33Å; E125-Y134 HydrophobicContact CB-CE2 3.65Å; E125-Y134 HydrophobicContact CG-CD1 4.29Å; E125-Y134 HydrophobicContact CG-CD2 4.44Å; E125-Y134 HydrophobicContact CG-CE1 3.8Å; E125-Y134 HydrophobicContact CG-CE2 4.01Å; E125-Y134 PolarHBondContact OE2-OH 3.11Å |
| 126 | E | 84.6 | Confident | 83.8 | Confident | 142 Ų | 142 | 67 Ų | 67 | 66% | 0.664 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -24.3 | 179.7 | -161.5 | -170.5 | 157.7 | 0 | 0 | 113.6 | L124 | L124-E126 VanDerWaalsContact C-N 3.25Å; L124-E126 PolarHBondContact O-N 3.1Å |
| 127 | F | 84.8 | Confident | 84.2 | Confident | 27 Ų | 27 | 64 Ų | 64 | 12% | 0.118 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | -8 | -173.1 | -52.9 | -68.6 | 0 | 0 | 0 | 113.7 | K80 R83 L87 A123 L124 E125 | K80-F127 HydrophobicContact CG-CD1 4.37Å; R83-F127 HydrophobicContact CB-CD1 4.11Å; R83-F127 HydrophobicContact CB-CD2 4.37Å; R83-F127 HydrophobicContact CB-CE1 4.42Å; R83-F127 HydrophobicContact CB-CG 4.11Å; L87-F127 HydrophobicContact CD1-CD2 3.85Å; L87-F127 HydrophobicContact CD1-CE2 4.16Å; A123-F127 WeakPolarHBondContact O-CD2 3.17Å; A123-F127 WeakPolarHBondContact O-CE2 3.3Å; L124-F127 PolarHBondContact O-N 3.32Å; E125-F127 VanDerWaalsContact C-N 3.35Å; E125-F127 PolarHBondContact O-N 2.85Å |
| 128 | C | 83.3 | Confident | 84.3 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | trans | -61.1 | 133.3 | 177.2 | -93.1 | 0 | 0 | 0 | 0 | 112.5 | L124 S130 | L124-C128 PolarHBondContact O-N 3.1Å; C128-S130 VanDerWaalsContact C-N 3.32Å; C128-S130 PolarHBondContact O-N 2.93Å | ||
| 129 | P | 79.9 | Confident | 84.3 | Confident | 92 Ų | 92 | 67.9 Ų | 67.9 | 60% | 0.597 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -72.7 | -22.6 | -178.9 | 28.6 | -34.9 | 0 | 0 | 0 | 113.6 | Y84 | Y84-P129 HydrophobicContact CE1-CG 4.05Š|
| 130 | S | 84.7 | Confident | 84.2 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 29% | 0.287 | 33% | 0.328 | S | S | . | . | trans | -147.7 | 158.1 | 174.5 | 81.6 | 0 | 0 | 0 | 0 | 111.9 | C128 D132 D133 Y134 | C128-S130 VanDerWaalsContact C-N 3.32Å; C128-S130 PolarHBondContact O-N 2.93Å; S130-D132 VanDerWaalsContact C-N 3.26Å; S130-D132 PolarHBondContact O-N 3.32Å; S130-D132 PolarHBondContact OG-N 2.85Å; S130-D133 PolarHBondContact O-N 2.69Å; S130-D133 PolarHBondContact OG-N 3.26Å; S130-D133 PolarHBondContact OG-OD2 2.95Å; S130-Y134 PolarHBondContact O-N 3.28Å | ||
| 131 | K | 82.9 | Confident | 83.9 | Confident | 181 Ų | 181 | 64.7 Ų | 64.7 | 79% | 0.787 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.7 | -28.9 | 173.5 | -69.7 | -169.3 | 175.4 | -170.9 | 0 | 112.6 | S135 | K131-S135 WeakPolarHBondContact O-CB 3.25Å; K131-S135 PolarHBondContact O-N 3.43Å; K131-S135 PolarHBondContact O-OG 2.77Å |
| 132 | D | 82.3 | Confident | 83.6 | Confident | 117 Ų | 117 | 68.9 Ų | 68.9 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -71 | -37.9 | 177.4 | -63.4 | -20.7 | 0 | 0 | 0 | 110.6 | S130 S135 K136 | S130-D132 VanDerWaalsContact C-N 3.26Å; S130-D132 PolarHBondContact O-N 3.32Å; S130-D132 PolarHBondContact OG-N 2.85Å; D132-S135 WeakPolarHBondContact O-CB 3.48Å; D132-S135 PolarHBondContact O-N 2.87Å; D132-K136 WeakPolarHBondContact O-CG 3.34Å; D132-K136 PolarHBondContact O-N 2.79Å |
| 133 | D | 81.2 | Confident | 83 | Confident | 44 Ų | 44 | 65.2 Ų | 65.2 | 24% | 0.235 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.7 | -37.6 | 176.2 | -61.6 | -45.7 | 0 | 0 | 0 | 112.2 | S130 S135 K136 L137 | S130-D133 PolarHBondContact O-N 2.69Å; S130-D133 PolarHBondContact OG-N 3.26Å; S130-D133 PolarHBondContact OG-OD2 2.95Å; D133-S135 VanDerWaalsContact C-N 3.34Å; D133-K136 PolarHBondContact O-N 3.25Å; D133-K136 IonicContact OD1-NZ 3.32Å; D133-K136 PolarHBondContact OD1-NZ 3.05Å; D133-L137 WeakPolarHBondContact O-CG 3.25Å; D133-L137 PolarHBondContact O-N 2.73Å; D133-L137 VanDerWaalsContact O-N 3.09Å |
| 134 | Y | 86.9 | Confident | 82.1 | Confident | 36 Ų | 36 | 67.8 Ų | 67.8 | 14% | 0.141 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 169 | -172.6 | -115.9 | 0 | 0 | 0 | 111.3 | L121 E125 S130 K136 L137 C138 | L121-Y134 HydrophobicContact CD1-CD2 4.17Å; L121-Y134 HydrophobicContact CD1-CE2 3.69Å; L121-Y134 HydrophobicContact CG-CE2 3.93Å; L121-Y134 WeakPolarHBondContact O-CE2 3.49Å; E125-Y134 HydrophobicContact CB-CD2 4.29Å; E125-Y134 HydrophobicContact CB-CE1 4.33Å; E125-Y134 HydrophobicContact CB-CE2 3.65Å; E125-Y134 HydrophobicContact CG-CD1 4.29Å; E125-Y134 HydrophobicContact CG-CD2 4.44Å; E125-Y134 HydrophobicContact CG-CE1 3.8Å; E125-Y134 HydrophobicContact CG-CE2 4.01Å; E125-Y134 PolarHBondContact OE2-OH 3.11Å; S130-Y134 PolarHBondContact O-N 3.28Å; Y134-K136 VanDerWaalsContact C-N 3.31Å; Y134-K136 PolarHBondContact O-N 3.47Å; Y134-L137 WeakPolarHBondContact O-CB 3.33Å; Y134-L137 PolarHBondContact O-N 2.58Å; Y134-C138 PolarHBondContact O-N 3.3Å; Y134-C138 PolarHBondContact O-SG 2.92Å |
| 135 | S | 85.3 | Confident | 81.2 | Confident | 68 Ų | 68 | 74.9 Ų | 74.9 | 48% | 0.476 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 112.9 | K131 D132 D133 C138 L139 | K131-S135 WeakPolarHBondContact O-CB 3.25Å; K131-S135 PolarHBondContact O-N 3.43Å; K131-S135 PolarHBondContact O-OG 2.77Å; D132-S135 WeakPolarHBondContact O-CB 3.48Å; D132-S135 PolarHBondContact O-N 2.87Å; D133-S135 VanDerWaalsContact C-N 3.34Å; S135-C138 PolarHBondContact O-N 3.47Å; S135-L139 PolarHBondContact O-N 2.85Å |
| 136 | K | 83.9 | Confident | 80.8 | Confident | 93 Ų | 93 | 70 Ų | 70 | 40% | 0.404 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 170.8 | -68.9 | 168.5 | -159.1 | 162.8 | 0 | 111.8 | D132 D133 Y134 L139 L140 | D132-K136 WeakPolarHBondContact O-CG 3.34Å; D132-K136 PolarHBondContact O-N 2.79Å; D133-K136 PolarHBondContact O-N 3.25Å; D133-K136 IonicContact OD1-NZ 3.32Å; D133-K136 PolarHBondContact OD1-NZ 3.05Å; Y134-K136 VanDerWaalsContact C-N 3.31Å; Y134-K136 PolarHBondContact O-N 3.47Å; K136-L139 WeakPolarHBondContact O-CB 3.39Å; K136-L139 PolarHBondContact O-N 2.87Å; K136-L140 PolarHBondContact O-N 2.92Å |
| 137 | L | 84.8 | Confident | 80.3 | Confident | 8 Ų | 8 | 66.6 Ų | 66.6 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 176.7 | -65.8 | 171.7 | 0 | 0 | 0 | 111.6 | Y84 F91 L121 L124 D133 Y134 L139 L140 | Y84-L137 HydrophobicContact CE2-CD1 4.42Å; F91-L137 HydrophobicContact CD1-CD2 4.05Å; F91-L137 HydrophobicContact CE1-CB 3.94Å; F91-L137 HydrophobicContact CE1-CD2 3.88Å; F91-L137 HydrophobicContact CE1-CG 4.46Å; F91-L137 HydrophobicContact CZ-CB 4.49Å; F91-L137 WeakPolarHBondContact CZ-O 3.36Å; L121-L137 HydrophobicContact CD1-CB 3.75Å; L124-L137 HydrophobicContact CD1-CD1 4.37Å; D133-L137 WeakPolarHBondContact O-CG 3.25Å; D133-L137 PolarHBondContact O-N 2.73Å; D133-L137 VanDerWaalsContact O-N 3.09Å; Y134-L137 WeakPolarHBondContact O-CB 3.33Å; Y134-L137 PolarHBondContact O-N 2.58Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 2.57Å; L137-L140 HydrophobicContact CD2-CD1 4.14Å; L137-L140 WeakPolarHBondContact O-CB 3.37Å; L137-L140 PolarHBondContact O-N 2.86Å; L137-L140 VanDerWaalsContact O-N 3.15Å |
| 138 | C | 84.2 | Confident | 79.9 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 30% | 0.304 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.3 | -39 | 170.7 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | Y134 S135 L140 L141 | Y134-C138 PolarHBondContact O-N 3.3Å; Y134-C138 PolarHBondContact O-SG 2.92Å; S135-C138 PolarHBondContact O-N 3.47Å; C138-L140 VanDerWaalsContact C-N 3.27Å; C138-L140 PolarHBondContact O-N 2.8Å; C138-L141 PolarHBondContact O-N 3.15Å |
| 139 | L | 83.6 | Confident | 79.8 | Confident | 87 Ų | 87 | 70.8 Ų | 70.8 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.6 | -34.4 | 176.1 | -175.2 | 68.8 | 0 | 0 | 0 | 111.9 | S135 K136 L137 L141 T142 | S135-L139 PolarHBondContact O-N 2.85Å; K136-L139 WeakPolarHBondContact O-CB 3.39Å; K136-L139 PolarHBondContact O-N 2.87Å; L137-L139 VanDerWaalsContact C-N 3.31Å; L137-L139 PolarHBondContact O-N 2.57Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 3.46Å; L139-T142 WeakPolarHBondContact O-CB 3.46Å; L139-T142 PolarHBondContact O-N 2.88Å; L139-T142 PolarHBondContact O-OG1 3.26Å |
| 140 | L | 82.3 | Confident | 79.8 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.2 | -28.6 | 179.6 | -59.4 | 179.6 | 0 | 0 | 0 | 113.4 | F91 L92 L95 K136 L137 C138 T142 L143 L146 H149 F152 | F91-L140 HydrophobicContact CE1-CD1 4.42Å; L92-L140 HydrophobicContact CD2-CD1 3.75Å; L95-L140 HydrophobicContact CD1-CB 3.71Å; L95-L140 HydrophobicContact CD1-CD1 4.43Å; K136-L140 PolarHBondContact O-N 2.92Å; L137-L140 HydrophobicContact CD2-CD1 4.14Å; L137-L140 WeakPolarHBondContact O-CB 3.37Å; L137-L140 PolarHBondContact O-N 2.86Å; L137-L140 VanDerWaalsContact O-N 3.15Å; C138-L140 VanDerWaalsContact C-N 3.27Å; C138-L140 PolarHBondContact O-N 2.8Å; L140-T142 PolarHBondContact O-N 2.81Å; L140-L143 HydrophobicContact CD2-CD1 3.89Å; L140-L143 PolarHBondContact O-N 2.94Å; L140-L146 HydrophobicContact CD1-CD1 4.16Å; L140-L146 HydrophobicContact CD2-CD1 4.25Å; L140-H149 HydrophobicContact CD2-CB 4.01Å; L140-F152 HydrophobicContact CD1-CD2 4.2Å; L140-F152 HydrophobicContact CD1-CE2 3.61Å; L140-F152 HydrophobicContact CD1-CZ 4.09Å; L140-F152 HydrophobicContact CD2-CD2 3.96Å; L140-F152 HydrophobicContact CD2-CE2 3.95Å; L140-F152 HydrophobicContact CG-CE2 4.41Å |
| 141 | L | 79.8 | Confident | 79.5 | Confident | 62 Ų | 62 | 75.4 Ų | 75.4 | 33% | 0.325 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22 | 171.6 | -79 | 169.1 | 0 | 0 | 0 | 113 | F91 L95 A117 V118 L121 C138 L139 | F91-L141 HydrophobicContact CE2-CD2 4.32Å; F91-L141 HydrophobicContact CE2-CG 4.2Å; F91-L141 HydrophobicContact CZ-CG 4.19Å; L95-L141 HydrophobicContact CD2-CD2 3.73Å; L95-L141 HydrophobicContact CD2-CG 4.34Å; A117-L141 HydrophobicContact CB-CD2 4.36Å; V118-L141 HydrophobicContact CG2-CD1 4.2Å; V118-L141 HydrophobicContact CG2-CD2 4.31Å; L121-L141 HydrophobicContact CD2-CD1 3.32Å; L121-L141 HydrophobicContact CD2-CG 4.31Å; C138-L141 PolarHBondContact O-N 3.15Å; L139-L141 VanDerWaalsContact C-N 3.28Å; L139-L141 PolarHBondContact O-N 3.46Å |
| 142 | T | 77.6 | Confident | 79.4 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 60% | 0.601 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -7.4 | -179.5 | 73.1 | 0 | 0 | 0 | 0 | 113.3 | L139 L140 | L139-T142 WeakPolarHBondContact O-CB 3.46Å; L139-T142 PolarHBondContact O-N 2.88Å; L139-T142 PolarHBondContact O-OG1 3.26Å; L140-T142 PolarHBondContact O-N 2.81Å |
| 143 | L | 73.8 | Confident | 79.2 | Confident | 41 Ų | 41 | 68.9 Ų | 68.9 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | trans | -90.4 | 129.2 | -177.3 | -64.9 | 179.7 | 0 | 0 | 0 | 111.2 | L140 R145 H149 | L140-L143 HydrophobicContact CD2-CD1 3.89Å; L140-L143 PolarHBondContact O-N 2.94Å; L143-R145 PolarHBondContact O-N 3.44Å; L143-R145 VanDerWaalsContact O-N 3.11Å; L143-H149 HydrophobicContact CD1-CB 3.75Å | ||
| 144 | P | 67.1 | Low | 78.8 | Confident | 100 Ų | 100 | 73.4 Ų | 73.4 | 65% | 0.649 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -64.3 | -16.4 | 178.9 | -24.1 | 33.7 | 0 | 0 | 0 | 115.4 | N99 | N99-P144 PolarHBondContact OD1-O 3.16Š|
| 145 | R | 67.4 | Low | 78.6 | Confident | 150 Ų | 150 | 73.8 Ų | 73.8 | 57% | 0.566 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -152.1 | 136.6 | 172.5 | -65.8 | -170.1 | 175.4 | 174 | -1.7 | 109.2 | L143 T147 N148 | L143-R145 PolarHBondContact O-N 3.44Å; L143-R145 VanDerWaalsContact O-N 3.11Å; R145-T147 PolarHBondContact O-N 3.12Å; R145-N148 VanDerWaalsContact O-CB 3.27Å; R145-N148 WeakPolarHBondContact O-CB 3.5Å; R145-N148 PolarHBondContact O-N 3.11Å |
| 146 | L | 75.8 | Confident | 78.3 | Confident | 10 Ų | 10 | 73 Ų | 73 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -55.2 | -36.7 | 176.4 | -176.6 | 61.6 | 0 | 0 | 0 | 112.6 | L92 N99 L140 N148 H149 F152 W155 | L92-L146 HydrophobicContact CD2-CD1 4.03Å; L92-L146 HydrophobicContact CD2-CD2 4.39Å; N99-L146 PolarHBondContact ND2-N 3.29Å; L140-L146 HydrophobicContact CD1-CD1 4.16Å; L140-L146 HydrophobicContact CD2-CD1 4.25Å; L146-N148 PolarHBondContact O-N 3.42Å; L146-N148 VanDerWaalsContact O-N 3.11Å; L146-H149 PolarHBondContact O-N 3.4Å; L146-H149 VanDerWaalsContact O-N 3.12Å; L146-F152 HydrophobicContact CD1-CB 3.92Å; L146-F152 HydrophobicContact CD1-CD1 4.4Å; L146-F152 HydrophobicContact CD1-CD2 3.94Å; L146-F152 HydrophobicContact CD1-CG 3.84Å; L146-F152 HydrophobicContact CG-CB 3.82Å; L146-F152 HydrophobicContact CG-CG 4.2Å; L146-W155 HydrophobicContact CD2-CD2 3.9Å; L146-W155 HydrophobicContact CD2-CE3 3.61Å; L146-W155 HydrophobicContact CD2-CG 4.45Å; L146-W155 HydrophobicContact CD2-CZ3 3.98Å |
| 147 | T | 74.3 | Confident | 78.2 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -63.5 | -13.1 | 177.1 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | R145 H149 | R145-T147 PolarHBondContact O-N 3.12Å; T147-H149 PolarHBondContact O-N 2.95Å |
| 148 | N | 77.4 | Confident | 78 | Confident | 101 Ų | 101 | 70.2 Ų | 70.2 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -76.4 | -13.9 | 176.4 | -62.2 | -5.9 | 0 | 0 | 0 | 112 | R145 L146 | R145-N148 VanDerWaalsContact O-CB 3.27Å; R145-N148 WeakPolarHBondContact O-CB 3.5Å; R145-N148 PolarHBondContact O-N 3.11Å; L146-N148 PolarHBondContact O-N 3.42Å; L146-N148 VanDerWaalsContact O-N 3.11Å |
| 149 | H | 80.6 | Confident | 77.9 | Confident | 38 Ų | 38 | 69.1 Ų | 69.1 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -85.1 | 133.7 | 171.6 | -164.3 | -103.8 | 0 | 0 | 0 | 110.7 | L140 L143 L146 T147 E151 F152 K153 | L140-H149 HydrophobicContact CD2-CB 4.01Å; L143-H149 HydrophobicContact CD1-CB 3.75Å; L146-H149 PolarHBondContact O-N 3.4Å; L146-H149 VanDerWaalsContact O-N 3.12Å; T147-H149 PolarHBondContact O-N 2.95Å; H149-E151 VanDerWaalsContact C-N 3.27Å; H149-E151 IonicContact CE1-OE2 3.95Å; H149-E151 PolarHBondContact CE1-OE2 2.77Å; H149-E151 PolarHBondContact ND1-N 3.38Å; H149-E151 IonicContact ND1-OE2 2.75Å; H149-E151 PolarHBondContact O-N 3.36Å; H149-F152 HydrophobicContact CB-CB 4.43Å; H149-F152 HydrophobicContact CB-CD2 3.93Å; H149-F152 AromaticContact CG-CD2 3.89Å; H149-F152 AromaticContact ND1-CD2 3.37Å; H149-F152 WeakPolarHBondContact ND1-CD2 3.4Å; H149-F152 AromaticContact ND1-CE2 3.73Å; H149-F152 PolarHBondContact O-N 2.88Å; H149-K153 PolarHBondContact O-N 2.98Å |
| 150 | A | 79.2 | Confident | 78 | Confident | 94 Ų | 94 | 65 Ų | 65 | 78% | 0.777 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -57.9 | -36.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F152 | A150-F152 VanDerWaalsContact C-N 3.35Š|
| 151 | E | 78.6 | Confident | 78.3 | Confident | 136 Ų | 136 | 66.5 Ų | 66.5 | 64% | 0.636 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -75 | -20.4 | 179.2 | -57.1 | 178.3 | 163.7 | 0 | 0 | 113.7 | H149 | H149-E151 VanDerWaalsContact C-N 3.27Å; H149-E151 IonicContact CE1-OE2 3.95Å; H149-E151 PolarHBondContact CE1-OE2 2.77Å; H149-E151 PolarHBondContact ND1-N 3.38Å; H149-E151 IonicContact ND1-OE2 2.75Å; H149-E151 PolarHBondContact O-N 3.36Å |
| 152 | F | 80.6 | Confident | 78.7 | Confident | 20 Ų | 20 | 63.9 Ų | 63.9 | 9% | 0.088 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -114 | 12.8 | -175 | -60.2 | -75 | 0 | 0 | 0 | 113.4 | L92 L140 L146 H149 A150 D154 W155 | L92-F152 HydrophobicContact CD1-CE1 3.79Å; L92-F152 HydrophobicContact CD1-CZ 4.32Å; L92-F152 HydrophobicContact CD2-CD1 4.38Å; L92-F152 HydrophobicContact CD2-CE1 3.86Å; L92-F152 HydrophobicContact CD2-CZ 3.98Å; L140-F152 HydrophobicContact CD1-CD2 4.2Å; L140-F152 HydrophobicContact CD1-CE2 3.61Å; L140-F152 HydrophobicContact CD1-CZ 4.09Å; L140-F152 HydrophobicContact CD2-CD2 3.96Å; L140-F152 HydrophobicContact CD2-CE2 3.95Å; L140-F152 HydrophobicContact CG-CE2 4.41Å; L146-F152 HydrophobicContact CD1-CB 3.92Å; L146-F152 HydrophobicContact CD1-CD1 4.4Å; L146-F152 HydrophobicContact CD1-CD2 3.94Å; L146-F152 HydrophobicContact CD1-CG 3.84Å; L146-F152 HydrophobicContact CG-CB 3.82Å; L146-F152 HydrophobicContact CG-CG 4.2Å; H149-F152 HydrophobicContact CB-CB 4.43Å; H149-F152 HydrophobicContact CB-CD2 3.93Å; H149-F152 AromaticContact CG-CD2 3.89Å; H149-F152 AromaticContact ND1-CD2 3.37Å; H149-F152 WeakPolarHBondContact ND1-CD2 3.4Å; H149-F152 AromaticContact ND1-CE2 3.73Å; H149-F152 PolarHBondContact O-N 2.88Å; A150-F152 VanDerWaalsContact C-N 3.35Å; F152-D154 VanDerWaalsContact C-N 3.34Å; F152-D154 PolarHBondContact O-N 3.09Å; F152-W155 HydrophobicContact CB-CB 3.99Å; F152-W155 HydrophobicContact CD1-CB 4.14Å; F152-W155 AromaticContact CD1-CD1 3.67Å; F152-W155 AromaticContact CD1-CG 3.96Å; F152-W155 HydrophobicContact CD1-CG 3.96Å; F152-W155 VanDerWaalsContact O-CB 3.26Å; F152-W155 WeakPolarHBondContact O-CB 3.49Å; F152-W155 PolarHBondContact O-N 3.34Å; F152-W155 VanDerWaalsContact O-N 3.14Å |
| 153 | K | 78.1 | Confident | 79.2 | Confident | 141 Ų | 141 | 63.1 Ų | 63.1 | 61% | 0.613 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -45.2 | -178 | -174.8 | -173.7 | 173.5 | -168.7 | 0 | 113.3 | H149 | H149-K153 PolarHBondContact O-N 2.98Š|
| 154 | D | 74.7 | Confident | 80 | Confident | 138 Ų | 138 | 61.2 Ų | 61.2 | 74% | 0.738 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 15.4 | -179 | -51 | -44.5 | 0 | 0 | 0 | 112 | F152 | F152-D154 VanDerWaalsContact C-N 3.34Å; F152-D154 PolarHBondContact O-N 3.09Å |
| 155 | W | 82.2 | Confident | 81.1 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 17% | 0.167 | 29% | 0.289 | C | S | . | . | trans | -71.5 | 135.9 | -178.4 | -174 | 96.9 | 0 | 0 | 0 | 110.8 | L92 E93 C96 L146 F152 P157 A160 | L92-W155 HydrophobicContact CB-CH2 4.29Å; L92-W155 HydrophobicContact CB-CZ2 3.72Å; E93-W155 HydrophobicContact CG-CH2 3.98Å; E93-W155 HydrophobicContact CG-CZ2 4.43Å; C96-W155 HydrophobicContact CB-CH2 4.11Å; C96-W155 HydrophobicContact CB-CZ3 3.62Å; L146-W155 HydrophobicContact CD2-CD2 3.9Å; L146-W155 HydrophobicContact CD2-CE3 3.61Å; L146-W155 HydrophobicContact CD2-CG 4.45Å; L146-W155 HydrophobicContact CD2-CZ3 3.98Å; F152-W155 HydrophobicContact CB-CB 3.99Å; F152-W155 HydrophobicContact CD1-CB 4.14Å; F152-W155 AromaticContact CD1-CD1 3.67Å; F152-W155 AromaticContact CD1-CG 3.96Å; F152-W155 HydrophobicContact CD1-CG 3.96Å; F152-W155 VanDerWaalsContact O-CB 3.26Å; F152-W155 WeakPolarHBondContact O-CB 3.49Å; F152-W155 PolarHBondContact O-N 3.34Å; F152-W155 VanDerWaalsContact O-N 3.14Å; W155-P157 HydrophobicContact CH2-CB 4.41Å; W155-P157 HydrophobicContact CH2-CG 3.97Å; W155-P157 HydrophobicContact CZ3-CG 3.83Å; W155-A160 HydrophobicContact CZ2-CB 3.67Å | ||
| 156 | N | 79.4 | Confident | 82.1 | Confident | 53 Ų | 53 | 53 Ų | 53 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | trans | -146.1 | 150.5 | 172.7 | 70 | 87 | 0 | 0 | 0 | 110 | S158 T159 A160 | N156-S158 VanDerWaalsContact C-N 3.33Å; N156-S158 PolarHBondContact O-N 2.94Å; N156-S158 PolarHBondContact OD1-N 2.82Å; N156-T159 WeakPolarHBondContact ND2-CB 3.39Å; N156-T159 PolarHBondContact ND2-OG1 2.94Å; N156-T159 PolarHBondContact O-N 2.9Å; N156-T159 PolarHBondContact OD1-N 3.36Å; N156-T159 PolarHBondContact OD1-OG1 3.33Å; N156-A160 VanDerWaalsContact O-CB 3.32Å; N156-A160 WeakPolarHBondContact O-CB 3.43Å; N156-A160 PolarHBondContact O-N 3.39Å | ||
| 157 | P | 81.6 | Confident | 82.7 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -39.3 | -175.8 | -25.3 | 33.9 | 0 | 0 | 0 | 113.6 | W155 A160 R161 L287 | W155-P157 HydrophobicContact CH2-CB 4.41Å; W155-P157 HydrophobicContact CH2-CG 3.97Å; W155-P157 HydrophobicContact CZ3-CG 3.83Å; P157-A160 PolarHBondContact O-N 2.88Å; P157-R161 WeakPolarHBondContact O-CB 3.47Å; P157-R161 VanDerWaalsContact O-CG 3.28Å; P157-R161 WeakPolarHBondContact O-CG 3.35Å; P157-R161 PolarHBondContact O-N 2.86Å; P157-L287 HydrophobicContact CB-CD1 4.37Å |
| 158 | S | 78.9 | Confident | 83.4 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | -177.4 | -54.5 | 0 | 0 | 0 | 0 | 112.8 | N156 V162 | N156-S158 VanDerWaalsContact C-N 3.33Å; N156-S158 PolarHBondContact O-N 2.94Å; N156-S158 PolarHBondContact OD1-N 2.82Å; S158-V162 WeakPolarHBondContact O-CG2 3.23Å; S158-V162 PolarHBondContact O-N 2.85Å |
| 159 | T | 83 | Confident | 83.8 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 173.1 | -60 | 0 | 0 | 0 | 0 | 111.2 | H28 N156 V162 Q163 | H28-T159 PolarHBondContact CD2-OG1 3.3Å; N156-T159 WeakPolarHBondContact ND2-CB 3.39Å; N156-T159 PolarHBondContact ND2-OG1 2.94Å; N156-T159 PolarHBondContact O-N 2.9Å; N156-T159 PolarHBondContact OD1-N 3.36Å; N156-T159 PolarHBondContact OD1-OG1 3.33Å; T159-V162 PolarHBondContact O-N 3.29Å; T159-Q163 HydrophobicContact CG2-CG 4.42Å; T159-Q163 WeakPolarHBondContact O-CG 3.18Å; T159-Q163 PolarHBondContact O-N 3.33Å |
| 160 | A | 85.6 | Confident | 84 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | W155 N156 P157 Q163 C164 | W155-A160 HydrophobicContact CZ2-CB 3.67Å; N156-A160 VanDerWaalsContact O-CB 3.32Å; N156-A160 WeakPolarHBondContact O-CB 3.43Å; N156-A160 PolarHBondContact O-N 3.39Å; P157-A160 PolarHBondContact O-N 2.88Å; A160-Q163 PolarHBondContact O-N 2.92Å; A160-C164 VanDerWaalsContact O-CB 3.23Å; A160-C164 WeakPolarHBondContact O-CB 3.49Å; A160-C164 PolarHBondContact O-N 2.73Å |
| 161 | R | 89.2 | Confident | 84.3 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 14% | 0.14 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 175.6 | -70.7 | 177 | -173.6 | -160.3 | -9.1 | 112.5 | I56 L57 D58 W61 E93 P157 C164 F165 | I56-R161 VanDerWaalsContact CG2-O 3.32Å; I56-R161 WeakPolarHBondContact CG2-O 3.49Å; I56-R161 WeakPolarHBondContact O-CD 3.33Å; I56-R161 WeakPolarHBondContact O-CG 3.37Å; L57-R161 HydrophobicContact CD2-CB 4.19Å; L57-R161 WeakPolarHBondContact O-CD 3.31Å; L57-R161 PolarHBondContact O-NH1 3.23Å; D58-R161 PolarHBondContact O-NH1 2.73Å; W61-R161 HydrophobicContact CH2-CG 4.05Å; W61-R161 HydrophobicContact CZ2-CG 4.01Å; E93-R161 WeakPolarHBondContact OE1-CG 3.29Å; E93-R161 IonicContact OE1-CZ 3.15Å; E93-R161 IonicContact OE1-NE 3.84Å; E93-R161 PolarHBondContact OE1-NE 2.88Å; E93-R161 IonicContact OE1-NH2 3.61Å; E93-R161 PolarHBondContact OE1-NH2 3.28Å; E93-R161 IonicContact OE2-CZ 3.43Å; E93-R161 IonicContact OE2-NE 2.67Å; E93-R161 IonicContact OE2-NH2 2.82Å; E93-R161 PolarHBondContact OE2-NH2 3.34Å; P157-R161 WeakPolarHBondContact O-CB 3.47Å; P157-R161 VanDerWaalsContact O-CG 3.28Å; P157-R161 WeakPolarHBondContact O-CG 3.35Å; P157-R161 PolarHBondContact O-N 2.86Å; R161-C164 WeakPolarHBondContact O-CB 3.44Å; R161-C164 PolarHBondContact O-N 3.01Å; R161-F165 PolarHBondContact O-N 3.11Å |
| 162 | V | 87.9 | Confident | 84.6 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -46 | 175.8 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | H28 M31 L32 L57 S158 T159 C164 F165 E166 | H28-V162 HydrophobicContact CB-CG2 4.13Å; M31-V162 HydrophobicContact CE-CG1 4.33Å; M31-V162 HydrophobicContact CE-CG2 4.08Å; L32-V162 HydrophobicContact CD1-CG2 4.29Å; L57-V162 HydrophobicContact CD2-CG2 3.77Å; S158-V162 WeakPolarHBondContact O-CG2 3.23Å; S158-V162 PolarHBondContact O-N 2.85Å; T159-V162 PolarHBondContact O-N 3.29Å; V162-C164 VanDerWaalsContact C-N 3.33Å; V162-C164 PolarHBondContact O-N 2.88Å; V162-F165 PolarHBondContact O-N 2.8Å; V162-E166 VanDerWaalsContact CG1-OE1 3.3Å; V162-E166 WeakPolarHBondContact CG1-OE1 3.33Å; V162-E166 PolarHBondContact O-N 3.04Å |
| 163 | Q | 87.6 | Confident | 84.6 | Confident | 82 Ų | 82 | 45.9 Ų | 45.9 | 38% | 0.383 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.5 | -39 | 175.4 | -71.5 | 173.7 | -8.7 | 0 | 0 | 112.4 | T159 A160 F165 E166 E167 | T159-Q163 HydrophobicContact CG2-CG 4.42Å; T159-Q163 WeakPolarHBondContact O-CG 3.18Å; T159-Q163 PolarHBondContact O-N 3.33Å; A160-Q163 PolarHBondContact O-N 2.92Å; Q163-F165 VanDerWaalsContact C-N 3.34Å; Q163-E166 PolarHBondContact O-N 2.9Å; Q163-E167 PolarHBondContact O-N 3.45Å |
| 164 | C | 90.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 173.9 | -172.5 | 0 | 0 | 0 | 0 | 111.9 | I56 W61 Q89 A160 R161 V162 E166 A168 | I56-C164 HydrophobicContact CG2-CB 4.08Å; W61-C164 HydrophobicContact CH2-CB 4.44Å; Q89-C164 HydrophobicContact CG-CB 3.89Å; A160-C164 VanDerWaalsContact O-CB 3.23Å; A160-C164 WeakPolarHBondContact O-CB 3.49Å; A160-C164 PolarHBondContact O-N 2.73Å; R161-C164 WeakPolarHBondContact O-CB 3.44Å; R161-C164 PolarHBondContact O-N 3.01Å; V162-C164 VanDerWaalsContact C-N 3.33Å; V162-C164 PolarHBondContact O-N 2.88Å; C164-E166 VanDerWaalsContact C-N 3.34Å; C164-A168 WeakPolarHBondContact O-CB 3.47Å; C164-A168 PolarHBondContact O-N 2.87Å |
| 165 | F | 91 | Very high | 85 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -37.8 | 174.5 | 173.1 | -107.7 | 0 | 0 | 0 | 111.7 | Y45 M49 R53 I56 R161 V162 Q163 A168 C169 | Y45-F165 HydrophobicContact CD1-CZ 4.4Å; Y45-F165 HydrophobicContact CE1-CE1 4.13Å; Y45-F165 AromaticContact CE1-CZ 3.98Å; Y45-F165 HydrophobicContact CE1-CZ 3.98Å; Y45-F165 AromaticContact CZ-CE1 3.94Å; M49-F165 HydrophobicContact CG-CE2 4.42Å; M49-F165 HydrophobicContact CG-CZ 4.27Å; M49-F165 HydrophobicContact SD-CE2 3.94Å; M49-F165 HydrophobicContact SD-CZ 4.22Å; R53-F165 HydrophobicContact CB-CD2 3.75Å; R53-F165 HydrophobicContact CB-CE1 4.22Å; R53-F165 HydrophobicContact CB-CE2 3.4Å; R53-F165 VanDerWaalsContact CB-CE2 3.4Å; R53-F165 HydrophobicContact CB-CG 4.3Å; R53-F165 HydrophobicContact CB-CZ 3.67Å; R53-F165 HydrophobicContact CG-CD1 3.84Å; R53-F165 HydrophobicContact CG-CD2 3.86Å; R53-F165 HydrophobicContact CG-CE1 3.75Å; R53-F165 HydrophobicContact CG-CE2 3.8Å; R53-F165 HydrophobicContact CG-CG 3.89Å; R53-F165 HydrophobicContact CG-CZ 3.74Å; I56-F165 HydrophobicContact CD1-CB 4.46Å; I56-F165 HydrophobicContact CD1-CD2 4.3Å; I56-F165 HydrophobicContact CG2-CB 4.01Å; R161-F165 PolarHBondContact O-N 3.11Å; V162-F165 PolarHBondContact O-N 2.8Å; Q163-F165 VanDerWaalsContact C-N 3.34Å; F165-A168 PolarHBondContact O-N 2.84Å; F165-C169 HydrophobicContact CE1-CB 4.35Å; F165-C169 HydrophobicContact CE2-CB 4.11Å; F165-C169 HydrophobicContact CZ-CB 4.02Å; F165-C169 WeakPolarHBondContact O-CA 3.39Å; F165-C169 WeakPolarHBondContact O-CB 3.46Å; F165-C169 PolarHBondContact O-N 3.49Å |
| 166 | E | 88 | Confident | 84.9 | Confident | 71 Ų | 71 | 38 Ų | 38 | 33% | 0.332 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.8 | -45.7 | 177.4 | -74.6 | 164.7 | -158.9 | 0 | 0 | 112.5 | H23 V162 Q163 C164 N170 | H23-E166 IonicContact CE1-OE1 3.58Å; H23-E166 PolarHBondContact CE1-OE1 3.32Å; H23-E166 IonicContact ND1-OE1 3.94Å; V162-E166 VanDerWaalsContact CG1-OE1 3.3Å; V162-E166 WeakPolarHBondContact CG1-OE1 3.33Å; V162-E166 PolarHBondContact O-N 3.04Å; Q163-E166 PolarHBondContact O-N 2.9Å; C164-E166 VanDerWaalsContact C-N 3.34Å; E166-N170 VanDerWaalsContact O-CG 3.3Å; E166-N170 PolarHBondContact O-N 3.35Å; E166-N170 VanDerWaalsContact O-N 3.14Å; E166-N170 PolarHBondContact O-ND2 3.24Å |
| 167 | E | 89.1 | Confident | 84.5 | Confident | 92 Ų | 92 | 39.1 Ų | 39.1 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 173.3 | -71.8 | -161.1 | 123 | 0 | 0 | 111.8 | I85 Q163 C169 N170 M171 | I85-E167 HydrophobicContact CD1-CB 4.14Å; I85-E167 HydrophobicContact CG2-CB 4.48Å; Q163-E167 PolarHBondContact O-N 3.45Å; E167-C169 PolarHBondContact O-N 3.44Å; E167-N170 PolarHBondContact O-N 3.44Å; E167-M171 WeakPolarHBondContact O-CG 3.42Å; E167-M171 PolarHBondContact O-N 2.88Å |
| 168 | A | 88.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I56 F82 C164 F165 N170 M171 V172 | I56-A168 HydrophobicContact CD1-CB 3.9Å; F82-A168 HydrophobicContact CE2-CB 3.71Å; F82-A168 HydrophobicContact CZ-CB 4.27Å; C164-A168 WeakPolarHBondContact O-CB 3.47Å; C164-A168 PolarHBondContact O-N 2.87Å; F165-A168 PolarHBondContact O-N 2.84Å; A168-N170 VanDerWaalsContact C-N 3.35Å; A168-N170 PolarHBondContact O-N 3.13Å; A168-M171 PolarHBondContact O-N 3.13Å; A168-M171 VanDerWaalsContact O-N 3.16Å; A168-V172 WeakPolarHBondContact O-CB 3.31Å; A168-V172 VanDerWaalsContact O-CG2 3.28Å; A168-V172 WeakPolarHBondContact O-CG2 3.26Å; A168-V172 PolarHBondContact O-N 3.32Å |
| 169 | C | 86 | Confident | 82.9 | Confident | 17 Ų | 17 | 42.4 Ų | 42.4 | 12% | 0.115 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 178 | -178.7 | 0 | 0 | 0 | 0 | 111 | M49 F165 E167 M171 V172 A173 | M49-C169 HydrophobicContact SD-CB 4.17Å; F165-C169 HydrophobicContact CE1-CB 4.35Å; F165-C169 HydrophobicContact CE2-CB 4.11Å; F165-C169 HydrophobicContact CZ-CB 4.02Å; F165-C169 WeakPolarHBondContact O-CA 3.39Å; F165-C169 WeakPolarHBondContact O-CB 3.46Å; F165-C169 PolarHBondContact O-N 3.49Å; E167-C169 PolarHBondContact O-N 3.44Å; C169-M171 VanDerWaalsContact C-N 3.26Å; C169-M171 PolarHBondContact O-N 3.5Å; C169-V172 PolarHBondContact O-N 3.28Å; C169-A173 WeakPolarHBondContact O-CB 3.36Å; C169-A173 PolarHBondContact O-N 3.38Å |
| 170 | N | 85.1 | Confident | 81.5 | Confident | 133 Ų | 133 | 51.7 Ų | 51.7 | 71% | 0.711 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.7 | -31.8 | 177.5 | -73.9 | -38.8 | 0 | 0 | 0 | 112.9 | E166 E167 A168 | E166-N170 VanDerWaalsContact O-CG 3.3Å; E166-N170 PolarHBondContact O-N 3.35Å; E166-N170 VanDerWaalsContact O-N 3.14Å; E166-N170 PolarHBondContact O-ND2 3.24Å; E167-N170 PolarHBondContact O-N 3.44Å; A168-N170 VanDerWaalsContact C-N 3.35Å; A168-N170 PolarHBondContact O-N 3.13Å |
| 171 | M | 84.8 | Confident | 80 | Confident | 32 Ų | 32 | 58 Ų | 58 | 16% | 0.158 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -79.7 | -30.2 | 176.5 | -66 | -178.2 | 62.7 | 0 | 0 | 113.6 | D78 R81 F82 I85 E167 A168 C169 | D78-M171 HydrophobicContact CB-CE 3.93Å; D78-M171 VanDerWaalsContact O-CE 3.26Å; D78-M171 WeakPolarHBondContact O-CE 3.22Å; R81-M171 HydrophobicContact CB-CE 3.91Å; R81-M171 HydrophobicContact CG-CE 4.01Å; R81-M171 HydrophobicContact CG-SD 4.02Å; F82-M171 HydrophobicContact CB-CE 3.87Å; F82-M171 HydrophobicContact CD2-CE 4.47Å; F82-M171 HydrophobicContact CD2-SD 4.46Å; I85-M171 HydrophobicContact CD1-SD 3.71Å; E167-M171 WeakPolarHBondContact O-CG 3.42Å; E167-M171 PolarHBondContact O-N 2.88Å; A168-M171 PolarHBondContact O-N 3.13Å; A168-M171 VanDerWaalsContact O-N 3.16Å; C169-M171 VanDerWaalsContact C-N 3.26Å; C169-M171 PolarHBondContact O-N 3.5Å |
| 172 | V | 85.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -96.2 | -21.6 | -173.2 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | M49 L52 I68 L71 F77 F82 A168 C169 E174 F175 I176 | M49-V172 HydrophobicContact CE-CB 4.12Å; M49-V172 HydrophobicContact CE-CG1 3.91Å; L52-V172 HydrophobicContact CD2-CB 4.41Å; L52-V172 HydrophobicContact CD2-CG1 4.2Å; L52-V172 HydrophobicContact CD2-CG2 4.3Å; I68-V172 HydrophobicContact CD1-CG1 4.25Å; I68-V172 HydrophobicContact CD1-CG2 3.7Å; L71-V172 HydrophobicContact CD1-CG1 3.94Å; L71-V172 HydrophobicContact CD1-CG2 4.5Å; F77-V172 HydrophobicContact CE2-CG2 3.92Å; F77-V172 HydrophobicContact CZ-CG2 4.38Å; F82-V172 HydrophobicContact CD2-CG2 4.16Å; F82-V172 HydrophobicContact CE2-CG2 3.64Å; F82-V172 HydrophobicContact CZ-CG2 4.45Å; A168-V172 WeakPolarHBondContact O-CB 3.31Å; A168-V172 VanDerWaalsContact O-CG2 3.28Å; A168-V172 WeakPolarHBondContact O-CG2 3.26Å; A168-V172 PolarHBondContact O-N 3.32Å; C169-V172 PolarHBondContact O-N 3.28Å; V172-E174 VanDerWaalsContact C-N 3.29Å; V172-E174 PolarHBondContact O-N 2.62Å; V172-F175 PolarHBondContact O-N 3.37Å; V172-I176 HydrophobicContact CG1-CB 4.06Å; V172-I176 HydrophobicContact CG1-CD1 3.34Å; V172-I176 HydrophobicContact CG1-CG1 3.6Å; V172-I176 PolarHBondContact O-N 3.41Å |
| 173 | A | 80.9 | Confident | 76.2 | Confident | 46 Ų | 46 | 63 Ų | 63 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | M49 C169 F175 | M49-A173 HydrophobicContact CE-CB 4.44Å; C169-A173 WeakPolarHBondContact O-CB 3.36Å; C169-A173 PolarHBondContact O-N 3.38Å; A173-F175 VanDerWaalsContact C-N 3.29Å |
| 174 | E | 78.7 | Confident | 73.9 | Confident | 130 Ų | 130 | 67.7 Ų | 67.7 | 61% | 0.607 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -29.9 | 171.2 | -170.6 | 179.7 | 159.5 | 0 | 0 | 111.5 | K76 V172 | K76-E174 IonicContact NZ-OE1 3.42Å; K76-E174 PolarHBondContact NZ-OE1 3.45Å; V172-E174 VanDerWaalsContact C-N 3.29Å; V172-E174 PolarHBondContact O-N 2.62Å |
| 175 | F | 82.4 | Confident | 71.9 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -28.1 | -175.1 | -52.4 | -82.9 | 0 | 0 | 0 | 113.1 | L71 M74 K76 F77 V172 A173 P177 | L71-F175 HydrophobicContact CD1-CB 4.2Å; L71-F175 HydrophobicContact CD2-CB 3.81Å; L71-F175 HydrophobicContact CD2-CG 4.36Å; M74-F175 HydrophobicContact CB-CE1 4.36Å; M74-F175 HydrophobicContact CE-CD1 4Å; M74-F175 HydrophobicContact CE-CE1 4.28Å; M74-F175 HydrophobicContact SD-CD1 3.63Å; M74-F175 HydrophobicContact SD-CE1 4.1Å; K76-F175 HydrophobicContact CB-CE1 3.94Å; K76-F175 HydrophobicContact CB-CZ 3.69Å; F77-F175 HydrophobicContact CB-CE1 4.37Å; F77-F175 HydrophobicContact CB-CE2 4.08Å; F77-F175 HydrophobicContact CB-CZ 3.86Å; F77-F175 HydrophobicContact CD2-CD2 4.01Å; F77-F175 AromaticContact CD2-CE2 3.75Å; F77-F175 HydrophobicContact CD2-CE2 3.75Å; F77-F175 HydrophobicContact CD2-CZ 4.4Å; F77-F175 HydrophobicContact CG-CE2 4.4Å; V172-F175 PolarHBondContact O-N 3.37Å; A173-F175 VanDerWaalsContact C-N 3.29Å; F175-P177 WeakPolarHBondContact O-CD 3.2Å |
| 176 | I | 79.1 | Confident | 69.9 | Low | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -117.1 | 81.2 | 175.7 | -54.8 | -175.3 | 0 | 0 | 0 | 108.1 | S46 D48 M49 L71 V172 M309 | S46-I176 WeakPolarHBondContact OG-CG2 3.46Å; D48-I176 HydrophobicContact CB-CD1 4.48Å; D48-I176 HydrophobicContact CB-CG2 4.04Å; M49-I176 HydrophobicContact CB-CG2 4.23Å; M49-I176 HydrophobicContact CE-CB 4.18Å; M49-I176 HydrophobicContact CE-CG2 4.44Å; L71-I176 HydrophobicContact CD1-CD1 4.45Å; V172-I176 HydrophobicContact CG1-CB 4.06Å; V172-I176 HydrophobicContact CG1-CD1 3.34Å; V172-I176 HydrophobicContact CG1-CG1 3.6Å; V172-I176 PolarHBondContact O-N 3.41Å; I176-M309 HydrophobicContact CD1-CE 3.56Å; I176-M309 HydrophobicContact CD1-SD 4.12Å |
| 177 | P | 70.3 | Confident | 68.3 | Low | 76 Ų | 76 | 76 Ų | 76 | 49% | 0.494 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -69 | 145.1 | -179.8 | 28.7 | -34.9 | 0 | 0 | 0 | 111.3 | F175 | F175-P177 WeakPolarHBondContact O-CD 3.2Š|
| 178 | A | 66.8 | Low | 66.8 | Low | 34 Ų | 34 | 78.5 Ų | 78.5 | 28% | 0.281 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 147.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | L44 R180 | L44-A178 HydrophobicContact CB-CB 4.44Å; A178-R180 PolarHBondContact O-N 3.03Å |
| 179 | D | 61.4 | Low | 65.5 | Low | 77 Ų | 77 | 78.8 Ų | 78.8 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 120.6 | 177.8 | -175.5 | -8.7 | 0 | 0 | 0 | 110.2 | K181 L182 | D179-K181 PolarHBondContact O-N 2.84Å; D179-K181 VanDerWaalsContact O-N 3.15Å; D179-K181 WeakPolarHBondContact OD1-CB 3.39Å; D179-K181 PolarHBondContact OD1-N 3.31Å; D179-L182 HydrophobicContact CB-CD1 4.2Å; D179-L182 HydrophobicContact CB-CG 4.32Å; D179-L182 WeakPolarHBondContact O-CB 3.23Å; D179-L182 PolarHBondContact O-N 2.8Å |
| 180 | R | 53.8 | Low | 64 | Low | 217 Ų | 217 | 82.8 Ų | 82.8 | 82% | 0.819 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.2 | -26.3 | -179.7 | -68.4 | -177.7 | 176.3 | 179 | -0.8 | 112.6 | A178 L182 S183 | A178-R180 PolarHBondContact O-N 3.03Å; R180-L182 PolarHBondContact O-N 2.86Å; R180-S183 PolarHBondContact O-N 2.87Å |
| 181 | K | 53.1 | Low | 62.9 | Low | 132 Ų | 132 | 78.6 Ų | 78.6 | 57% | 0.574 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.5 | -23 | 174.9 | -64.9 | 173.3 | -177.4 | 166.1 | 0 | 113.3 | D179 | D179-K181 PolarHBondContact O-N 2.84Å; D179-K181 VanDerWaalsContact O-N 3.15Å; D179-K181 WeakPolarHBondContact OD1-CB 3.39Å; D179-K181 PolarHBondContact OD1-N 3.31Å |
| 182 | L | 50.6 | Low | 61.5 | Low | 88 Ų | 88 | 80.2 Ų | 80.2 | 46% | 0.461 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -88 | -22.8 | 175.9 | -62.5 | 173.3 | 0 | 0 | 0 | 112.5 | L44 D179 R180 A185 | L44-L182 HydrophobicContact CD2-CB 4.11Å; D179-L182 HydrophobicContact CB-CD1 4.2Å; D179-L182 HydrophobicContact CB-CG 4.32Å; D179-L182 WeakPolarHBondContact O-CB 3.23Å; D179-L182 PolarHBondContact O-N 2.8Å; R180-L182 PolarHBondContact O-N 2.86Å; L182-A185 PolarHBondContact O-N 3.02Å |
| 183 | S | 46.6 | Very low | 60.3 | Low | 62 Ų | 62 | 86.4 Ų | 86.4 | 43% | 0.434 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.9 | -32.4 | 178.8 | -70 | 0 | 0 | 0 | 0 | 114 | R180 A185 G186 | R180-S183 PolarHBondContact O-N 2.87Å; S183-A185 PolarHBondContact O-N 2.75Å; S183-G186 PolarHBondContact O-N 2.78Å; S183-G186 VanDerWaalsContact O-N 3.16Å |
| 184 | E | 40.6 | Very low | 59.2 | Low | 181 Ų | 181 | 86.2 Ų | 86.2 | 85% | 0.846 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -14.8 | 176.3 | -69.4 | -175.8 | 155.9 | 0 | 0 | 113 | G186 | E184-G186 VanDerWaalsContact C-N 3.32Å; E184-G186 PolarHBondContact O-N 3.36Å |
| 185 | A | 47.5 | Very low | 58.1 | Low | 65 Ų | 65 | 85.6 Ų | 85.6 | 54% | 0.537 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 0 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L182 S183 F187 | L182-A185 PolarHBondContact O-N 3.02Å; S183-A185 PolarHBondContact O-N 2.75Å; A185-F187 VanDerWaalsContact C-N 3.33Å; A185-F187 WeakPolarHBondContact O-CD2 3.46Å; A185-F187 PolarHBondContact O-N 2.93Å |
| 186 | G | 48.5 | Very low | 56.8 | Low | 55 Ų | 55 | 89.9 Ų | 89.9 | 57% | 0.567 | 48% | 0.475 | S | S | * | . | trans | 60.4 | 11.9 | 149.2 | 0 | 0 | 0 | 0 | 0 | 121 | S183 E184 | S183-G186 PolarHBondContact O-N 2.78Å; S183-G186 VanDerWaalsContact O-N 3.16Å; E184-G186 VanDerWaalsContact C-N 3.32Å; E184-G186 PolarHBondContact O-N 3.36Å | ||
| 187 | F | 55.3 | Low | 55.8 | Low | 131 Ų | 131 | 94 Ų | 94 | 58% | 0.575 | 50% | 0.497 | S | S | * | . | trans | -129.8 | 86.4 | -175.8 | -59.6 | -63.8 | 0 | 0 | 0 | 114.5 | K16 A185 | K16-F187 PolarHBondContact NZ-O 3.36Å; A185-F187 VanDerWaalsContact C-N 3.33Å; A185-F187 WeakPolarHBondContact O-CD2 3.46Å; A185-F187 PolarHBondContact O-N 2.93Å | ||
| 188 | K | 57.2 | Low | 55 | Low | 144 Ų | 144 | 95.5 Ų | 95.5 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | trans | -94.7 | 135.6 | 151.4 | -178.6 | 179.7 | 176.2 | 178.9 | 0 | 107.8 | ||||
| 189 | A | 60.4 | Low | 54.2 | Low | 6 Ų | 6 | 98.4 Ų | 98.4 | 5% | 0.05 | 51% | 0.51 | C | S | . | . | trans | -72.3 | 138.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | K16 V17 D20 N42 | K16-A189 HydrophobicContact CB-CB 4.4Å; V17-A189 HydrophobicContact CG2-CB 3.96Å; D20-A189 HydrophobicContact CB-CB 3.85Å; N42-A189 PolarHBondContact OD1-N 2.86Å | ||
| 190 | S | 56.1 | Low | 53.8 | Low | 102 Ų | 102 | 101.5 Ų | 101.5 | 71% | 0.713 | 52% | 0.52 | S | S | * | . | trans | -135.6 | 104.9 | -174.2 | 63.9 | 0 | 0 | 0 | 0 | 112.2 | D20 | D20-S190 PolarHBondContact OD2-N 3.11Š| ||
| 191 | G | 61.5 | Low | 53.7 | Low | 45 Ų | 45 | 92.7 Ų | 92.7 | 46% | 0.464 | 50% | 0.497 | S | S | . | . | S | Bend | trans | 79.9 | 178.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D20 R193 | D20-G191 PolarHBondContact OD2-N 2.99Å; D20-G191 VanDerWaalsContact OD2-O 3.1Å; G191-R193 PolarHBondContact O-N 2.89Å |
| 192 | D | 54.8 | Low | 53.6 | Low | 66 Ų | 66 | 89.5 Ų | 89.5 | 35% | 0.353 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -68.8 | 44.9 | -169.9 | -57.7 | -53.8 | 0 | 0 | 0 | 115.2 | S24 L194 F195 Q196 | S24-D192 PolarHBondContact OG-OD1 3.26Å; D192-L194 VanDerWaalsContact C-N 3.27Å; D192-L194 PolarHBondContact O-N 2.86Å; D192-F195 HydrophobicContact CB-CB 4.2Å; D192-F195 WeakPolarHBondContact O-CB 3.18Å; D192-F195 PolarHBondContact O-N 3.03Å; D192-F195 VanDerWaalsContact O-N 3.12Å; D192-Q196 WeakPolarHBondContact O-CG 3.2Å; D192-Q196 PolarHBondContact O-N 2.91Å |
| 193 | R | 61.6 | Low | 53.4 | Low | 130 Ų | 130 | 90.4 Ų | 90.4 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.6 | -33.1 | 179.7 | -176.8 | 175.7 | 174.7 | -177.2 | -4.6 | 112.4 | G191 Q196 L197 | G191-R193 PolarHBondContact O-N 2.89Å; R193-Q196 PolarHBondContact O-N 2.79Å; R193-L197 HydrophobicContact CG-CD1 3.95Å; R193-L197 HydrophobicContact CG-CG 4.3Å; R193-L197 WeakPolarHBondContact O-CB 3.31Å; R193-L197 VanDerWaalsContact O-CG 3.24Å; R193-L197 WeakPolarHBondContact O-CG 3.31Å; R193-L197 PolarHBondContact O-N 2.82Å |
| 194 | L | 57.9 | Low | 53.6 | Low | 41 Ų | 41 | 94.8 Ų | 94.8 | 22% | 0.215 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -59 | -50.9 | 173.2 | -171.5 | 48.9 | 0 | 0 | 0 | 110.7 | V17 I18 F21 D192 Q196 L197 L198 | V17-L194 HydrophobicContact CG1-CB 3.46Å; V17-L194 VanDerWaalsContact CG1-CB 3.46Å; V17-L194 HydrophobicContact CG1-CD1 3.92Å; V17-L194 HydrophobicContact CG1-CD2 4.43Å; V17-L194 HydrophobicContact CG1-CG 4.1Å; I18-L194 HydrophobicContact CG1-CD2 3.84Å; F21-L194 HydrophobicContact CB-CD2 4.35Å; D192-L194 VanDerWaalsContact C-N 3.27Å; D192-L194 PolarHBondContact O-N 2.86Å; L194-Q196 PolarHBondContact O-N 2.85Å; L194-L197 PolarHBondContact O-N 3.19Å; L194-L198 HydrophobicContact CD1-CD1 4.14Å; L194-L198 HydrophobicContact CD1-CG 4.32Å; L194-L198 HydrophobicContact CG-CD1 3.98Å; L194-L198 WeakPolarHBondContact O-CB 3.42Å; L194-L198 VanDerWaalsContact O-CG 3.32Å; L194-L198 WeakPolarHBondContact O-CG 3.47Å; L194-L198 PolarHBondContact O-N 2.83Å |
| 195 | F | 54.8 | Low | 54.2 | Low | 118 Ų | 118 | 91.1 Ų | 91.1 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -41.4 | -179.9 | -176.7 | -102 | 0 | 0 | 0 | 111.2 | D192 L197 L198 L199 | D192-F195 HydrophobicContact CB-CB 4.2Å; D192-F195 WeakPolarHBondContact O-CB 3.18Å; D192-F195 PolarHBondContact O-N 3.03Å; D192-F195 VanDerWaalsContact O-N 3.12Å; F195-L197 PolarHBondContact O-N 2.95Å; F195-L198 PolarHBondContact O-N 2.96Å; F195-L199 VanDerWaalsContact O-CB 3.26Å; F195-L199 WeakPolarHBondContact O-CB 3.28Å; F195-L199 PolarHBondContact O-N 2.99Å |
| 196 | Q | 54.5 | Low | 54.4 | Low | 114 Ų | 114 | 88.9 Ų | 88.9 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65 | -36.3 | 174.8 | -66.8 | 177 | 9.1 | 0 | 0 | 113.4 | D192 R193 L194 K200 | D192-Q196 WeakPolarHBondContact O-CG 3.2Å; D192-Q196 PolarHBondContact O-N 2.91Å; R193-Q196 PolarHBondContact O-N 2.79Å; L194-Q196 PolarHBondContact O-N 2.85Å; Q196-K200 WeakPolarHBondContact O-CB 3.33Å; Q196-K200 VanDerWaalsContact O-CG 3.26Å; Q196-K200 WeakPolarHBondContact O-CG 3.47Å; Q196-K200 PolarHBondContact O-N 3.17Å; Q196-K200 VanDerWaalsContact O-N 3.1Å |
| 197 | L | 57.7 | Low | 54.5 | Low | 91 Ų | 91 | 90 Ų | 90 | 48% | 0.476 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -73.5 | -42.3 | 176.7 | -74.4 | 170.9 | 0 | 0 | 0 | 111.6 | R193 L194 F195 K200 G201 | R193-L197 HydrophobicContact CG-CD1 3.95Å; R193-L197 HydrophobicContact CG-CG 4.3Å; R193-L197 WeakPolarHBondContact O-CB 3.31Å; R193-L197 VanDerWaalsContact O-CG 3.24Å; R193-L197 WeakPolarHBondContact O-CG 3.31Å; R193-L197 PolarHBondContact O-N 2.82Å; L194-L197 PolarHBondContact O-N 3.19Å; F195-L197 PolarHBondContact O-N 2.95Å; L197-K200 PolarHBondContact O-N 3.38Å; L197-G201 PolarHBondContact O-N 3.34Å |
| 198 | L | 53.8 | Low | 54.4 | Low | 106 Ų | 106 | 86.2 Ų | 86.2 | 56% | 0.555 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.9 | -45.9 | 173.5 | -73 | 168.9 | 0 | 0 | 0 | 111.1 | L194 F195 K200 G201 V202 | L194-L198 HydrophobicContact CD1-CD1 4.14Å; L194-L198 HydrophobicContact CD1-CG 4.32Å; L194-L198 HydrophobicContact CG-CD1 3.98Å; L194-L198 WeakPolarHBondContact O-CB 3.42Å; L194-L198 VanDerWaalsContact O-CG 3.32Å; L194-L198 WeakPolarHBondContact O-CG 3.47Å; L194-L198 PolarHBondContact O-N 2.83Å; F195-L198 PolarHBondContact O-N 2.96Å; L198-K200 VanDerWaalsContact C-N 3.34Å; L198-K200 PolarHBondContact O-N 2.94Å; L198-G201 PolarHBondContact O-N 2.85Å; L198-G201 VanDerWaalsContact O-N 3.17Å; L198-V202 WeakPolarHBondContact O-CG2 3.46Å; L198-V202 PolarHBondContact O-N 3.17Å |
| 199 | L | 50.8 | Low | 54.3 | Low | 95 Ų | 95 | 83.8 Ų | 83.8 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.4 | -171.4 | 65.3 | 0 | 0 | 0 | 111.9 | F195 L203 | F195-L199 VanDerWaalsContact O-CB 3.26Å; F195-L199 WeakPolarHBondContact O-CB 3.28Å; F195-L199 PolarHBondContact O-N 2.99Å; L199-L203 HydrophobicContact CG-CD1 4.28Å; L199-L203 WeakPolarHBondContact O-CB 3.25Å; L199-L203 WeakPolarHBondContact O-CD1 3.29Å; L199-L203 WeakPolarHBondContact O-CG 3.48Å; L199-L203 PolarHBondContact O-N 3.38Å |
| 200 | K | 52.2 | Low | 53.9 | Low | 142 Ų | 142 | 86.4 Ų | 86.4 | 62% | 0.617 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.2 | -37.5 | 173.8 | -77 | 176.1 | 178.8 | -176.3 | 0 | 112.9 | Q196 L197 L198 Y204 | Q196-K200 WeakPolarHBondContact O-CB 3.33Å; Q196-K200 VanDerWaalsContact O-CG 3.26Å; Q196-K200 WeakPolarHBondContact O-CG 3.47Å; Q196-K200 PolarHBondContact O-N 3.17Å; Q196-K200 VanDerWaalsContact O-N 3.1Å; L197-K200 PolarHBondContact O-N 3.38Å; L198-K200 VanDerWaalsContact C-N 3.34Å; L198-K200 PolarHBondContact O-N 2.94Å; K200-Y204 WeakPolarHBondContact O-CB 3.44Å; K200-Y204 PolarHBondContact O-N 2.89Å |
| 201 | G | 52.7 | Low | 53.7 | Low | 32 Ų | 32 | 85.5 Ų | 85.5 | 33% | 0.33 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.5 | -49.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L197 L198 L203 Y204 E205 | L197-G201 PolarHBondContact O-N 3.34Å; L198-G201 PolarHBondContact O-N 2.85Å; L198-G201 VanDerWaalsContact O-N 3.17Å; G201-L203 VanDerWaalsContact C-N 3.35Å; G201-L203 PolarHBondContact O-N 3.3Å; G201-Y204 WeakPolarHBondContact O-CA 3.45Å; G201-Y204 WeakPolarHBondContact O-CB 3.3Å; G201-Y204 PolarHBondContact O-N 3.01Å; G201-E205 WeakPolarHBondContact O-CG 3.21Å; G201-E205 PolarHBondContact O-N 2.74Å |
| 202 | V | 49.7 | Very low | 53.5 | Low | 66 Ų | 66 | 89.3 Ų | 89.3 | 40% | 0.4 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 175.4 | 172.8 | 0 | 0 | 0 | 0 | 111 | L198 Y204 E205 C206 V229 | L198-V202 WeakPolarHBondContact O-CG2 3.46Å; L198-V202 PolarHBondContact O-N 3.17Å; V202-Y204 VanDerWaalsContact C-N 3.25Å; V202-Y204 PolarHBondContact O-N 3.26Å; V202-E205 PolarHBondContact O-N 3.46Å; V202-C206 WeakPolarHBondContact O-CB 3.15Å; V202-C206 PolarHBondContact O-N 2.92Å; V202-C206 PolarHBondContact O-SG 2.73Å; V202-V229 HydrophobicContact CG1-CG1 4.47Å |
| 203 | L | 48 | Very low | 53.6 | Low | 106 Ų | 106 | 86.4 Ų | 86.4 | 56% | 0.555 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60 | -35 | 174.1 | -75 | 167.8 | 0 | 0 | 0 | 112.7 | L199 G201 C207 | L199-L203 HydrophobicContact CG-CD1 4.28Å; L199-L203 WeakPolarHBondContact O-CB 3.25Å; L199-L203 WeakPolarHBondContact O-CD1 3.29Å; L199-L203 WeakPolarHBondContact O-CG 3.48Å; L199-L203 PolarHBondContact O-N 3.38Å; G201-L203 VanDerWaalsContact C-N 3.35Å; G201-L203 PolarHBondContact O-N 3.3Å; L203-C207 WeakPolarHBondContact O-CB 3.46Å; L203-C207 PolarHBondContact O-N 2.67Å; L203-C207 PolarHBondContact O-SG 2.94Å |
| 204 | Y | 50.6 | Low | 52.9 | Low | 154 Ų | 154 | 87 Ų | 87 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -71.3 | -48.8 | 176.7 | -178.5 | -96.5 | 0 | 0 | 0 | 112.1 | K200 G201 V202 C206 C207 V208 | K200-Y204 WeakPolarHBondContact O-CB 3.44Å; K200-Y204 PolarHBondContact O-N 2.89Å; G201-Y204 WeakPolarHBondContact O-CA 3.45Å; G201-Y204 WeakPolarHBondContact O-CB 3.3Å; G201-Y204 PolarHBondContact O-N 3.01Å; V202-Y204 VanDerWaalsContact C-N 3.25Å; V202-Y204 PolarHBondContact O-N 3.26Å; Y204-C206 PolarHBondContact O-N 2.85Å; Y204-C207 CarbonylContact O-C 3.57Å; Y204-C207 WeakPolarHBondContact O-CA 3.42Å; Y204-C207 WeakPolarHBondContact O-CB 3.4Å; Y204-C207 PolarHBondContact O-N 3.35Å; Y204-C207 VanDerWaalsContact O-N 3.08Å; Y204-V208 HydrophobicContact CD1-CG2 4.04Å; Y204-V208 HydrophobicContact CE1-CG2 3.66Å; Y204-V208 HydrophobicContact CE2-CG2 4.42Å; Y204-V208 WeakPolarHBondContact O-CG2 3.28Å; Y204-V208 PolarHBondContact O-N 2.86Å |
| 205 | E | 52.5 | Low | 52.4 | Low | 105 Ų | 105 | 89.1 Ų | 89.1 | 49% | 0.491 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 178.2 | -64.7 | -57.6 | 148.9 | 0 | 0 | 111.3 | G201 V202 C207 V208 E209 | G201-E205 WeakPolarHBondContact O-CG 3.21Å; G201-E205 PolarHBondContact O-N 2.74Å; V202-E205 PolarHBondContact O-N 3.46Å; E205-C207 VanDerWaalsContact C-N 3.27Å; E205-C207 PolarHBondContact O-N 3.44Å; E205-V208 PolarHBondContact O-N 3.07Å; E205-E209 PolarHBondContact O-N 3.3Å |
| 206 | C | 51.4 | Low | 52.5 | Low | 18 Ų | 18 | 87.5 Ų | 87.5 | 12% | 0.122 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -57.6 | -38.3 | 172.5 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | V202 Y204 F210 V225 | V202-C206 WeakPolarHBondContact O-CB 3.15Å; V202-C206 PolarHBondContact O-N 2.92Å; V202-C206 PolarHBondContact O-SG 2.73Å; Y204-C206 PolarHBondContact O-N 2.85Å; C206-F210 WeakPolarHBondContact O-CB 3.18Å; C206-F210 PolarHBondContact O-N 2.83Å; C206-F210 VanDerWaalsContact O-N 3.12Å; C206-V225 HydrophobicContact CB-CG1 4.12Å; C206-V225 WeakPolarHBondContact O-CG1 3.36Å |
| 207 | C | 50.5 | Low | 52.3 | Low | 79 Ų | 79 | 85 Ų | 85 | 53% | 0.534 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.4 | -36 | 173.2 | -74.4 | 0 | 0 | 0 | 0 | 112.6 | L203 Y204 E205 C211 | L203-C207 WeakPolarHBondContact O-CB 3.46Å; L203-C207 PolarHBondContact O-N 2.67Å; L203-C207 PolarHBondContact O-SG 2.94Å; Y204-C207 CarbonylContact O-C 3.57Å; Y204-C207 WeakPolarHBondContact O-CA 3.42Å; Y204-C207 WeakPolarHBondContact O-CB 3.4Å; Y204-C207 PolarHBondContact O-N 3.35Å; Y204-C207 VanDerWaalsContact O-N 3.08Å; E205-C207 VanDerWaalsContact C-N 3.27Å; E205-C207 PolarHBondContact O-N 3.44Å; C207-C211 WeakPolarHBondContact O-CB 3.31Å; C207-C211 PolarHBondContact O-N 2.78Å; C207-C211 PolarHBondContact O-SG 3.15Å |
| 208 | V | 54.5 | Low | 52 | Low | 50 Ų | 50 | 87 Ų | 87 | 30% | 0.303 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.9 | -50 | 178.6 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | Y204 E205 F210 C211 Q212 | Y204-V208 HydrophobicContact CD1-CG2 4.04Å; Y204-V208 HydrophobicContact CE1-CG2 3.66Å; Y204-V208 HydrophobicContact CE2-CG2 4.42Å; Y204-V208 WeakPolarHBondContact O-CG2 3.28Å; Y204-V208 PolarHBondContact O-N 2.86Å; E205-V208 PolarHBondContact O-N 3.07Å; V208-F210 VanDerWaalsContact C-N 3.35Å; V208-F210 PolarHBondContact O-N 3.41Å; V208-C211 PolarHBondContact O-N 2.82Å; V208-Q212 VanDerWaalsContact O-CB 3.3Å; V208-Q212 WeakPolarHBondContact O-CB 3.33Å; V208-Q212 PolarHBondContact O-N 2.67Å |
| 209 | E | 53.6 | Low | 51.7 | Low | 93 Ų | 93 | 91 Ų | 91 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 178 | -69.8 | -169.2 | 151.6 | 0 | 0 | 111.7 | E205 Q212 S213 | E205-E209 PolarHBondContact O-N 3.3Å; E209-Q212 PolarHBondContact O-N 3.3Å; E209-S213 PolarHBondContact O-N 3.4Å |
| 210 | F | 52.4 | Low | 51.5 | Low | 61 Ų | 61 | 89.5 Ų | 89.5 | 27% | 0.268 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 173 | -179.7 | -112.5 | 0 | 0 | 0 | 112.5 | C206 V208 Q212 K214 E222 V225 | C206-F210 WeakPolarHBondContact O-CB 3.18Å; C206-F210 PolarHBondContact O-N 2.83Å; C206-F210 VanDerWaalsContact O-N 3.12Å; V208-F210 VanDerWaalsContact C-N 3.35Å; V208-F210 PolarHBondContact O-N 3.41Å; F210-Q212 VanDerWaalsContact C-N 3.29Å; F210-Q212 PolarHBondContact O-N 3.26Å; F210-K214 HydrophobicContact CE2-CG 4.33Å; F210-K214 HydrophobicContact CZ-CG 4.41Å; F210-K214 WeakPolarHBondContact O-CB 3.22Å; F210-K214 VanDerWaalsContact O-CG 3.28Å; F210-K214 WeakPolarHBondContact O-CG 3.25Å; F210-K214 PolarHBondContact O-N 2.84Å; F210-K214 VanDerWaalsContact O-N 3.12Å; F210-E222 HydrophobicContact CD2-CG 4.29Å; F210-E222 HydrophobicContact CE2-CG 3.49Å; F210-E222 VanDerWaalsContact CE2-CG 3.49Å; F210-E222 HydrophobicContact CZ-CG 4.09Å; F210-E222 WeakPolarHBondContact CZ-OE1 3.21Å; F210-V225 HydrophobicContact CB-CG1 4.1Å; F210-V225 HydrophobicContact CB-CG2 4.14Å; F210-V225 HydrophobicContact CD2-CG2 4.03Å |
| 211 | C | 52.7 | Low | 51.3 | Low | 83 Ų | 83 | 86 Ų | 86 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64 | -35.3 | 177.1 | -70.6 | 0 | 0 | 0 | 0 | 112.1 | C207 V208 A215 | C207-C211 WeakPolarHBondContact O-CB 3.31Å; C207-C211 PolarHBondContact O-N 2.78Å; C207-C211 PolarHBondContact O-SG 3.15Å; V208-C211 PolarHBondContact O-N 2.82Å; C211-A215 WeakPolarHBondContact O-CB 3.45Å; C211-A215 PolarHBondContact O-N 3.05Å |
| 212 | Q | 56.3 | Low | 50.8 | Low | 125 Ų | 125 | 87.7 Ų | 87.7 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -73.7 | -46.6 | -177.6 | -175.8 | 170.7 | -22.6 | 0 | 0 | 112.2 | V208 E209 F210 K214 A215 T216 | V208-Q212 VanDerWaalsContact O-CB 3.3Å; V208-Q212 WeakPolarHBondContact O-CB 3.33Å; V208-Q212 PolarHBondContact O-N 2.67Å; E209-Q212 PolarHBondContact O-N 3.3Å; F210-Q212 VanDerWaalsContact C-N 3.29Å; F210-Q212 PolarHBondContact O-N 3.26Å; Q212-K214 VanDerWaalsContact C-N 3.34Å; Q212-K214 PolarHBondContact O-N 2.88Å; Q212-A215 WeakPolarHBondContact O-CA 3.39Å; Q212-A215 WeakPolarHBondContact O-CB 3.4Å; Q212-A215 PolarHBondContact O-N 3.29Å; Q212-T216 PolarHBondContact O-N 2.86Å; Q212-T216 PolarHBondContact O-OG1 2.89Å |
| 213 | S | 57 | Low | 50.3 | Low | 6 Ų | 6 | 87.7 Ų | 87.7 | 4% | 0.042 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 173.4 | 146 | 0 | 0 | 0 | 0 | 111.8 | E209 A215 T216 G217 E218 I220 | E209-S213 PolarHBondContact O-N 3.4Å; S213-A215 PolarHBondContact O-N 2.81Å; S213-A215 VanDerWaalsContact O-N 3.16Å; S213-T216 PolarHBondContact O-N 3.47Å; S213-T216 PolarHBondContact O-OG1 2.9Å; S213-G217 PolarHBondContact O-N 3.39Å; S213-G217 VanDerWaalsContact O-N 3.14Å; S213-E218 PolarHBondContact OG-O 3.05Å; S213-I220 VanDerWaalsContact OG-CB 3.28Å; S213-I220 WeakPolarHBondContact OG-CB 3.47Å; S213-I220 VanDerWaalsContact OG-CG1 3.31Å; S213-I220 WeakPolarHBondContact OG-CG1 3.47Å |
| 214 | K | 48.3 | Very low | 50.2 | Low | 143 Ų | 143 | 87.4 Ų | 87.4 | 62% | 0.622 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.4 | -23.3 | 173.7 | -75.2 | -68.4 | -177.1 | -168.9 | 0 | 113.2 | F210 Q212 | F210-K214 HydrophobicContact CE2-CG 4.33Å; F210-K214 HydrophobicContact CZ-CG 4.41Å; F210-K214 WeakPolarHBondContact O-CB 3.22Å; F210-K214 VanDerWaalsContact O-CG 3.28Å; F210-K214 WeakPolarHBondContact O-CG 3.25Å; F210-K214 PolarHBondContact O-N 2.84Å; F210-K214 VanDerWaalsContact O-N 3.12Å; Q212-K214 VanDerWaalsContact C-N 3.34Å; Q212-K214 PolarHBondContact O-N 2.88Å |
| 215 | A | 46.7 | Very low | 49.9 | Very low | 85 Ų | 85 | 80.7 Ų | 80.7 | 70% | 0.702 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -89.7 | -29 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | C211 Q212 S213 | C211-A215 WeakPolarHBondContact O-CB 3.45Å; C211-A215 PolarHBondContact O-N 3.05Å; Q212-A215 WeakPolarHBondContact O-CA 3.39Å; Q212-A215 WeakPolarHBondContact O-CB 3.4Å; Q212-A215 PolarHBondContact O-N 3.29Å; S213-A215 PolarHBondContact O-N 2.81Å; S213-A215 VanDerWaalsContact O-N 3.16Å |
| 216 | T | 57.2 | Low | 49.3 | Very low | 83 Ų | 83 | 82.3 Ų | 82.3 | 51% | 0.509 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -82.2 | -19 | 177.2 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | Q212 S213 E218 | Q212-T216 PolarHBondContact O-N 2.86Å; Q212-T216 PolarHBondContact O-OG1 2.89Å; S213-T216 PolarHBondContact O-N 3.47Å; S213-T216 PolarHBondContact O-OG1 2.9Å; T216-E218 VanDerWaalsContact C-N 3.32Å; T216-E218 PolarHBondContact OG1-OE2 3.4Å |
| 217 | G | 49.2 | Very low | 48.8 | Very low | 63 Ų | 63 | 87.3 Ų | 87.3 | 65% | 0.649 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | 11.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S213 | S213-G217 PolarHBondContact O-N 3.39Å; S213-G217 VanDerWaalsContact O-N 3.14Å |
| 218 | E | 52.3 | Low | 48.3 | Very low | 131 Ų | 131 | 86.2 Ų | 86.2 | 61% | 0.612 | 49% | 0.486 | S | S | * | . | trans | -76.6 | 120 | 165.7 | -69.9 | 171.1 | 136.6 | 0 | 0 | 108.4 | S213 T216 I220 | S213-E218 PolarHBondContact OG-O 3.05Å; T216-E218 VanDerWaalsContact C-N 3.32Å; T216-E218 PolarHBondContact OG1-OE2 3.4Å; E218-I220 PolarHBondContact O-N 3.43Å | ||
| 219 | E | 46.9 | Very low | 47.8 | Very low | 190 Ų | 190 | 86.4 Ų | 86.4 | 89% | 0.888 | 49% | 0.487 | S | S | * | . | trans | -73.2 | 72.3 | 178.7 | -68 | -168.1 | 146.3 | 0 | 0 | 111.5 | ||||
| 220 | I | 47.8 | Very low | 47.1 | Very low | 64 Ų | 64 | 86 Ų | 86 | 33% | 0.328 | 49% | 0.488 | S | S | . | . | trans | -76.3 | 121.8 | 162.7 | -53.4 | -171 | 0 | 0 | 0 | 107.5 | S213 E218 E224 V225 | S213-I220 VanDerWaalsContact OG-CB 3.28Å; S213-I220 WeakPolarHBondContact OG-CB 3.47Å; S213-I220 VanDerWaalsContact OG-CG1 3.31Å; S213-I220 WeakPolarHBondContact OG-CG1 3.47Å; E218-I220 PolarHBondContact O-N 3.43Å; I220-E224 HydrophobicContact CG2-CB 3.46Å; I220-E224 VanDerWaalsContact CG2-CB 3.46Å; I220-V225 HydrophobicContact CG2-CG2 3.77Å | ||
| 221 | T | 47.7 | Very low | 46.6 | Very low | 68 Ų | 68 | 90.9 Ų | 90.9 | 42% | 0.417 | 51% | 0.513 | S | S | . | . | trans | -73.8 | 153.3 | 175 | 60.3 | 0 | 0 | 0 | 0 | 110.6 | S223 E224 V225 | T221-S223 WeakPolarHBondContact CB-OG 3.46Å; T221-S223 PolarHBondContact O-N 3.34Å; T221-S223 VanDerWaalsContact O-N 3.08Å; T221-S223 PolarHBondContact OG1-OG 2.59Å; T221-E224 WeakPolarHBondContact CB-OE2 3.39Å; T221-E224 PolarHBondContact N-OE2 3.37Å; T221-E224 PolarHBondContact O-N 3.47Å; T221-E224 VanDerWaalsContact OG1-CD 3.31Å; T221-E224 WeakPolarHBondContact OG1-CG 3.33Å; T221-E224 PolarHBondContact OG1-OE2 2.82Å; T221-V225 PolarHBondContact O-N 2.74Å | ||
| 222 | E | 41.1 | Very low | 46 | Very low | 68 Ų | 68 | 94.7 Ų | 94.7 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.2 | -21.6 | 179.6 | -78 | 178.1 | 153.2 | 0 | 0 | 113 | F210 L245 | F210-E222 HydrophobicContact CD2-CG 4.29Å; F210-E222 HydrophobicContact CE2-CG 3.49Å; F210-E222 VanDerWaalsContact CE2-CG 3.49Å; F210-E222 HydrophobicContact CZ-CG 4.09Å; F210-E222 WeakPolarHBondContact CZ-OE1 3.21Å; E222-L245 HydrophobicContact CB-CD1 4.01Å; E222-L245 HydrophobicContact CB-CD2 4.31Å; E222-L245 HydrophobicContact CB-CG 4.44Å; E222-L245 VanDerWaalsContact OE2-CD1 3.29Å; E222-L245 WeakPolarHBondContact OE2-CD1 3.41Å; E222-L245 WeakPolarHBondContact OE2-CG 3.46Å |
| 223 | S | 40.2 | Very low | 44.9 | Very low | 67 Ų | 67 | 93.6 Ų | 93.6 | 47% | 0.469 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -40.2 | 167.2 | 25.5 | 0 | 0 | 0 | 0 | 113.5 | T221 L226 L227 | T221-S223 WeakPolarHBondContact CB-OG 3.46Å; T221-S223 PolarHBondContact O-N 3.34Å; T221-S223 VanDerWaalsContact O-N 3.08Å; T221-S223 PolarHBondContact OG1-OG 2.59Å; S223-L226 PolarHBondContact O-N 2.86Å; S223-L227 WeakPolarHBondContact O-CB 3.13Å; S223-L227 WeakPolarHBondContact O-CD1 3.31Å; S223-L227 WeakPolarHBondContact O-CG 3.47Å; S223-L227 PolarHBondContact O-N 2.84Å |
| 224 | E | 45.2 | Very low | 43.7 | Very low | 99 Ų | 99 | 96.4 Ų | 96.4 | 46% | 0.463 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -76.7 | -27.8 | -177.2 | -73.6 | 162.7 | 130 | 0 | 0 | 112.7 | I220 T221 L226 L227 G228 | I220-E224 HydrophobicContact CG2-CB 3.46Å; I220-E224 VanDerWaalsContact CG2-CB 3.46Å; T221-E224 WeakPolarHBondContact CB-OE2 3.39Å; T221-E224 PolarHBondContact N-OE2 3.37Å; T221-E224 PolarHBondContact O-N 3.47Å; T221-E224 VanDerWaalsContact OG1-CD 3.31Å; T221-E224 WeakPolarHBondContact OG1-CG 3.33Å; T221-E224 PolarHBondContact OG1-OE2 2.82Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 3.38Å; E224-L227 CarbonylContact O-C 3.58Å; E224-L227 PolarHBondContact O-N 3.2Å; E224-G228 PolarHBondContact O-N 2.87Å |
| 225 | V | 44 | Very low | 43.2 | Very low | 13 Ų | 13 | 97.6 Ų | 97.6 | 8% | 0.079 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -67 | -33.4 | 172.1 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | C206 F210 I220 T221 | C206-V225 HydrophobicContact CB-CG1 4.12Å; C206-V225 WeakPolarHBondContact O-CG1 3.36Å; F210-V225 HydrophobicContact CB-CG1 4.1Å; F210-V225 HydrophobicContact CB-CG2 4.14Å; F210-V225 HydrophobicContact CD2-CG2 4.03Å; I220-V225 HydrophobicContact CG2-CG2 3.77Å; T221-V225 PolarHBondContact O-N 2.74Å |
| 226 | L | 41.5 | Very low | 42.5 | Very low | 140 Ų | 140 | 97.5 Ų | 97.5 | 73% | 0.733 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -85.4 | -18.6 | 175.2 | -85.4 | 160 | 0 | 0 | 0 | 113.4 | S223 E224 | S223-L226 PolarHBondContact O-N 2.86Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 3.38Å |
| 227 | L | 39.7 | Very low | 41.3 | Very low | 122 Ų | 122 | 99.4 Ų | 99.4 | 64% | 0.639 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -89.4 | -18.4 | 170.8 | -76.5 | 163 | 0 | 0 | 0 | 113.5 | S223 E224 V229 D230 | S223-L227 WeakPolarHBondContact O-CB 3.13Å; S223-L227 WeakPolarHBondContact O-CD1 3.31Å; S223-L227 WeakPolarHBondContact O-CG 3.47Å; S223-L227 PolarHBondContact O-N 2.84Å; E224-L227 CarbonylContact O-C 3.58Å; E224-L227 PolarHBondContact O-N 3.2Å; L227-V229 VanDerWaalsContact C-N 3.26Å; L227-V229 PolarHBondContact O-N 2.84Å; L227-D230 PolarHBondContact O-N 2.77Å |
| 228 | G | 40.1 | Very low | 40.5 | Very low | 56 Ų | 56 | 104.5 Ų | 104.5 | 58% | 0.577 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -27.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E224 D230 | E224-G228 PolarHBondContact O-N 2.87Å; G228-D230 VanDerWaalsContact C-N 3.26Å; G228-D230 PolarHBondContact O-N 2.79Å |
| 229 | V | 44.9 | Very low | 39.8 | Very low | 54 Ų | 54 | 105.1 Ų | 105.1 | 33% | 0.327 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.7 | 48.2 | 173.8 | -162.5 | 0 | 0 | 0 | 0 | 110.9 | V202 L227 M231 | V202-V229 HydrophobicContact CG1-CG1 4.47Å; L227-V229 VanDerWaalsContact C-N 3.26Å; L227-V229 PolarHBondContact O-N 2.84Å; V229-M231 HydrophobicContact CG1-CG 4.06Å; V229-M231 PolarHBondContact O-N 3.1Å |
| 230 | D | 38.3 | Very low | 39.5 | Very low | 86 Ų | 86 | 104 Ų | 104 | 46% | 0.46 | 62% | 0.616 | S | S | . | * | trans | -72 | 74.8 | 166.5 | -173.3 | 3.5 | 0 | 0 | 0 | 109.9 | L227 G228 L232 C233 G234 | L227-D230 PolarHBondContact O-N 2.77Å; G228-D230 VanDerWaalsContact C-N 3.26Å; G228-D230 PolarHBondContact O-N 2.79Å; D230-L232 PolarHBondContact O-N 2.77Å; D230-L232 VanDerWaalsContact O-N 3.15Å; D230-C233 PolarHBondContact OD1-N 2.94Å; D230-G234 WeakPolarHBondContact OD2-CA 3.41Å; D230-G234 PolarHBondContact OD2-N 2.9Å | ||
| 231 | M | 41.6 | Very low | 38.9 | Very low | 162 Ų | 162 | 107.9 Ų | 107.9 | 80% | 0.798 | 64% | 0.638 | S | S | * | * | trans | -68.2 | -8 | -174.9 | -107.4 | -99.2 | 165.5 | 0 | 0 | 113.7 | V229 | V229-M231 HydrophobicContact CG1-CG 4.06Å; V229-M231 PolarHBondContact O-N 3.1Å | ||
| 232 | L | 40.1 | Very low | 38.7 | Very low | 163 Ų | 163 | 112.9 Ų | 112.9 | 85% | 0.853 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -145.1 | -27.5 | -173.1 | -76.4 | 177.8 | 0 | 0 | 0 | 118.9 | D230 | D230-L232 PolarHBondContact O-N 2.77Å; D230-L232 VanDerWaalsContact O-N 3.15Å |
| 233 | C | 33.1 | Very low | 38.7 | Very low | 103 Ų | 103 | 113.2 Ų | 113.2 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | trans | -152.6 | 100.6 | -168.9 | -82.8 | 0 | 0 | 0 | 0 | 115.8 | D230 N235 | D230-C233 PolarHBondContact OD1-N 2.94Å; C233-N235 PolarHBondContact O-N 2.81Å | ||
| 234 | G | 32.9 | Very low | 38.6 | Very low | 64 Ų | 64 | 115.5 Ų | 115.5 | 66% | 0.66 | 68% | 0.677 | S | S | * | * | trans | -56.6 | 133.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D230 | D230-G234 WeakPolarHBondContact OD2-CA 3.41Å; D230-G234 PolarHBondContact OD2-N 2.9Å | ||
| 235 | N | 36 | Very low | 38.2 | Very low | 169 Ų | 169 | 114.1 Ų | 114.1 | 90% | 0.904 | 67% | 0.673 | S | S | * | * | trans | 72.5 | 118.4 | 163.1 | -66.1 | -4.5 | 0 | 0 | 0 | 120.1 | C233 | C233-N235 PolarHBondContact O-N 2.81Š| ||
| 236 | G | 33 | Very low | 37.9 | Very low | 82 Ų | 82 | 117.9 Ų | 117.9 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | trans | 156.6 | 106.6 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 237 | C | 32 | Very low | 37.8 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 83% | 0.831 | 70% | 0.696 | S | S | * | * | trans | -70.9 | 162.2 | 173.4 | -68.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 238 | D | 32.7 | Very low | 37.6 | Very low | 170 Ų | 170 | 118 Ų | 118 | 91% | 0.909 | 69% | 0.687 | S | S | * | * | -149.8 | 151.7 | 122.2 | -128.9 | -16.3 | 0 | 0 | 0 | 112.1 | |||||
| 239 | D | 36.7 | Very low | 37.5 | Very low | 145 Ų | 145 | 122.8 Ų | 122.8 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | trans | -87.8 | 153.6 | -170.6 | -87.9 | -46.7 | 0 | 0 | 0 | 114.4 | ||||
| 240 | L | 40.6 | Very low | 37.1 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 86% | 0.864 | 71% | 0.713 | S | S | * | * | trans | 98.1 | 100.2 | -179.8 | -74.5 | 90.9 | 0 | 0 | 0 | 115.9 | ||||
| 241 | D | 34.8 | Very low | 37 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | -161.4 | 163.6 | 116.3 | -130 | -28.2 | 0 | 0 | 0 | 116.1 | S243 | D241-S243 PolarHBondContact O-N 2.8Š| |||
| 242 | L | 44.1 | Very low | 36.6 | Very low | 174 Ų | 174 | 124.9 Ų | 124.9 | 91% | 0.911 | 71% | 0.713 | S | S | * | * | trans | -70.9 | 80.6 | -170.4 | -67.7 | 151.7 | 0 | 0 | 0 | 114.3 | ||||
| 243 | S | 41.7 | Very low | 36.4 | Very low | 74 Ų | 74 | 125.9 Ų | 125.9 | 52% | 0.517 | 71% | 0.713 | S | S | . | * | trans | -94 | 164.8 | -175.5 | 80.5 | 0 | 0 | 0 | 0 | 116.1 | D241 L245 S246 | D241-S243 PolarHBondContact O-N 2.8Å; S243-L245 PolarHBondContact O-N 3.31Å; S243-S246 PolarHBondContact O-N 3.39Å | ||
| 244 | L | 37.2 | Very low | 36.6 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 60% | 0.602 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | -20.4 | -178.7 | -173.2 | 64.6 | 0 | 0 | 0 | 114.7 | S246 W247 M248 | L244-S246 VanDerWaalsContact C-N 3.27Å; L244-S246 PolarHBondContact O-N 3.33Å; L244-W247 HydrophobicContact CD1-CB 4.41Å; L244-W247 HydrophobicContact CD1-CD2 4.43Å; L244-W247 HydrophobicContact CD1-CE3 3.91Å; L244-W247 WeakPolarHBondContact O-CB 3.2Å; L244-W247 PolarHBondContact O-N 2.88Å; L244-M248 HydrophobicContact CD2-SD 4.3Å; L244-M248 HydrophobicContact CG-CG 4.45Å; L244-M248 HydrophobicContact CG-SD 4.21Å; L244-M248 PolarHBondContact O-N 3.24Å |
| 245 | L | 36.7 | Very low | 37 | Very low | 71 Ų | 71 | 127.2 Ų | 127.2 | 37% | 0.372 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -49.6 | -45.5 | 174.7 | -108.6 | 76.4 | 0 | 0 | 0 | 112.8 | E222 S243 W247 M248 Q249 | E222-L245 HydrophobicContact CB-CD1 4.01Å; E222-L245 HydrophobicContact CB-CD2 4.31Å; E222-L245 HydrophobicContact CB-CG 4.44Å; E222-L245 VanDerWaalsContact OE2-CD1 3.29Å; E222-L245 WeakPolarHBondContact OE2-CD1 3.41Å; E222-L245 WeakPolarHBondContact OE2-CG 3.46Å; S243-L245 PolarHBondContact O-N 3.31Å; L245-W247 PolarHBondContact O-N 3.04Å; L245-W247 VanDerWaalsContact O-N 3.13Å; L245-M248 PolarHBondContact O-N 3.2Å; L245-Q249 PolarHBondContact O-N 3.45Å |
| 246 | S | 38.6 | Very low | 37.2 | Very low | 91 Ų | 91 | 127.5 Ų | 127.5 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -68.2 | -13.6 | -177.2 | -170.5 | 0 | 0 | 0 | 0 | 113.2 | S243 L244 | S243-S246 PolarHBondContact O-N 3.39Å; L244-S246 VanDerWaalsContact C-N 3.27Å; L244-S246 PolarHBondContact O-N 3.33Å |
| 247 | W | 38.8 | Very low | 37.3 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 66% | 0.663 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -92.9 | -41.7 | 177.9 | -176.5 | 81.1 | 0 | 0 | 0 | 111.7 | L244 L245 Q249 N250 | L244-W247 HydrophobicContact CD1-CB 4.41Å; L244-W247 HydrophobicContact CD1-CD2 4.43Å; L244-W247 HydrophobicContact CD1-CE3 3.91Å; L244-W247 WeakPolarHBondContact O-CB 3.2Å; L244-W247 PolarHBondContact O-N 2.88Å; L245-W247 PolarHBondContact O-N 3.04Å; L245-W247 VanDerWaalsContact O-N 3.13Å; W247-Q249 VanDerWaalsContact C-N 3.27Å; W247-Q249 PolarHBondContact O-N 3.01Å; W247-N250 PolarHBondContact O-N 2.88Å |
| 248 | M | 36.9 | Very low | 37.5 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 45% | 0.448 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -67.2 | -23.9 | -177.9 | -71.9 | 178.6 | 51.3 | 0 | 0 | 113.8 | L244 L245 N250 | L244-M248 HydrophobicContact CD2-SD 4.3Å; L244-M248 HydrophobicContact CG-CG 4.45Å; L244-M248 HydrophobicContact CG-SD 4.21Å; L244-M248 PolarHBondContact O-N 3.24Å; L245-M248 PolarHBondContact O-N 3.2Å; M248-N250 PolarHBondContact O-N 3.32Å |
| 249 | Q | 36.8 | Very low | 37.7 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 73% | 0.729 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -1.6 | 176.6 | -73.1 | 178.7 | -7.8 | 0 | 0 | 115.6 | L245 W247 | L245-Q249 PolarHBondContact O-N 3.45Å; W247-Q249 VanDerWaalsContact C-N 3.27Å; W247-Q249 PolarHBondContact O-N 3.01Å |
| 250 | N | 36.4 | Very low | 38.1 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 6.3 | -177.6 | -76.9 | -73.2 | 0 | 0 | 0 | 115.7 | W247 M248 | W247-N250 PolarHBondContact O-N 2.88Å; M248-N250 PolarHBondContact O-N 3.32Å |
| 251 | L | 35.5 | Very low | 37.9 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 66% | 0.66 | 69% | 0.69 | S | S | * | * | trans | -107.7 | 140.4 | -175.8 | -62.7 | 176.8 | 0 | 0 | 0 | 112.8 | ||||
| 252 | S | 33.3 | Very low | 38.4 | Very low | 83 Ų | 83 | 130.6 Ų | 130.6 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | trans | -91.8 | 154.6 | -169.8 | 79.4 | 0 | 0 | 0 | 0 | 114.5 | S254 | S252-S254 PolarHBondContact O-N 2.89Š| ||
| 253 | H | 37.2 | Very low | 38.5 | Very low | 185 Ų | 185 | 128.3 Ų | 128.3 | 86% | 0.856 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -63.7 | -7.2 | -166.9 | -99.9 | -85.2 | 0 | 0 | 0 | 117.5 | V255 | H253-V255 VanDerWaalsContact C-N 3.28Å; H253-V255 PolarHBondContact O-N 3.33Å |
| 254 | S | 37 | Very low | 38.8 | Very low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -79.7 | -2.4 | -175 | 58.2 | 0 | 0 | 0 | 0 | 115.1 | S252 | S252-S254 PolarHBondContact O-N 2.89Š|
| 255 | V | 41 | Very low | 39.4 | Very low | 100 Ų | 100 | 132.4 Ų | 132.4 | 61% | 0.606 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -83 | -21.4 | -172.9 | -180 | 0 | 0 | 0 | 0 | 113.4 | H253 | H253-V255 VanDerWaalsContact C-N 3.28Å; H253-V255 PolarHBondContact O-N 3.33Å |
| 256 | F | 40.8 | Very low | 39.9 | Very low | 175 Ų | 175 | 133 Ų | 133 | 77% | 0.768 | 69% | 0.693 | S | S | * | * | trans | -118.9 | 14.8 | -162.1 | -60.3 | -68 | 0 | 0 | 0 | 116.5 | C258 | F256-C258 PolarHBondContact O-N 3.39Å; F256-C258 VanDerWaalsContact O-N 3.1Å | ||
| 257 | T | 34.8 | Very low | 40.6 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | trans | -78 | 92.6 | 176 | 34.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 258 | C | 35.1 | Very low | 41.1 | Very low | 110 Ų | 110 | 131 Ų | 131 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | trans | -151.8 | 140.8 | 151 | -156.4 | 0 | 0 | 0 | 0 | 110 | F256 | F256-C258 PolarHBondContact O-N 3.39Å; F256-C258 VanDerWaalsContact O-N 3.1Å | ||
| 259 | A | 38.2 | Very low | 42.1 | Very low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 132 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 260 | F | 45.6 | Very low | 43.3 | Very low | 205 Ų | 205 | 125.6 Ų | 125.6 | 90% | 0.899 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 142.6 | 176.2 | -71.8 | -83.2 | 0 | 0 | 0 | 111.9 | ||
| 261 | E | 36.1 | Very low | 44.7 | Very low | 157 Ų | 157 | 128.4 Ų | 128.4 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 121.6 | 174.4 | -176 | -176.7 | -145.7 | 0 | 0 | 109.8 | K263 | E261-K263 PolarHBondContact O-N 3.2Å; E261-K263 WeakPolarHBondContact OE2-CE 3.49Å |
| 262 | Q | 44.9 | Very low | 45.9 | Very low | 198 Ų | 198 | 124.1 Ų | 124.1 | 93% | 0.925 | 64% | 0.642 | S | S | * | * | trans | -72 | 113.8 | 177 | -174.6 | -179.1 | 10.9 | 0 | 0 | 110.2 | ||||
| 263 | K | 47.2 | Very low | 47.3 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 55% | 0.548 | 65% | 0.647 | S | S | . | * | trans | -107.5 | 131.9 | 173.9 | -72.4 | -173.8 | 177.1 | 178.5 | 0 | 111.5 | E261 | E261-K263 PolarHBondContact O-N 3.2Å; E261-K263 WeakPolarHBondContact OE2-CE 3.49Å | ||
| 264 | Q | 47.3 | Very low | 48 | Very low | 193 Ų | 193 | 121.5 Ų | 121.5 | 90% | 0.902 | 63% | 0.626 | S | S | * | * | trans | -85.3 | 114.2 | 175.4 | -161.1 | 170.1 | 14.3 | 0 | 0 | 108.9 | ||||
| 265 | L | 49.6 | Very low | 48.8 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 43% | 0.429 | 61% | 0.612 | S | S | . | * | trans | -92.6 | 125.6 | -178.9 | -70 | 165 | 0 | 0 | 0 | 110.3 | E5 I7 I267 | E5-L265 HydrophobicContact CB-CD2 3.73Å; E5-L265 WeakPolarHBondContact O-CD2 3.32Å; I7-L265 HydrophobicContact CD1-CB 4.5Å; I7-L265 HydrophobicContact CD1-CD1 4.01Å; L265-I267 PolarHBondContact O-N 3.44Å | ||
| 266 | N | 46.8 | Very low | 49.1 | Very low | 84 Ų | 84 | 117.1 Ų | 117.1 | 45% | 0.449 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.9 | 108.5 | 174.9 | -76.1 | -32.4 | 0 | 0 | 0 | 109.1 | T6 I7 | T6-N266 CarbonylContact C-O 3.6Å; T6-N266 VanDerWaalsContact CA-O 3.29Å; T6-N266 WeakPolarHBondContact CA-O 3.18Å; T6-N266 HydrophobicContact CG2-CB 4.18Å; T6-N266 WeakPolarHBondContact CG2-O 3.42Å; I7-N266 PolarHBondContact N-O 2.85Å |
| 267 | I | 52.7 | Low | 49.1 | Very low | 117 Ų | 117 | 114.9 Ų | 114.9 | 60% | 0.6 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93 | 119.1 | 175.9 | -56.7 | 175.4 | 0 | 0 | 0 | 109.1 | I7 V9 L265 V269 | I7-I267 HydrophobicContact CB-CG1 4.47Å; I7-I267 CarbonylContact O-C 3.59Å; I7-I267 WeakPolarHBondContact O-CA 3.42Å; V9-I267 HydrophobicContact CG2-CG2 4.3Å; L265-I267 PolarHBondContact O-N 3.44Å; I267-V269 HydrophobicContact CG2-CG2 4.23Å |
| 268 | H | 49.5 | Very low | 49.4 | Very low | 106 Ų | 106 | 114.1 Ų | 114.1 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.6 | 126.9 | 171.1 | -162.4 | 66.1 | 0 | 0 | 0 | 109.3 | I7 N8 V9 D270 | I7-H268 PolarHBondContact O-N 3.35Å; N8-H268 CarbonylContact C-O 3.55Å; N8-H268 WeakPolarHBondContact CA-O 3.2Å; N8-H268 WeakPolarHBondContact OD1-CB 3.43Å; V9-H268 PolarHBondContact N-O 2.91Å; H268-D270 IonicContact CD2-OD1 3.87Å; H268-D270 PolarHBondContact CD2-OD1 3.06Å; H268-D270 IonicContact NE2-OD1 3.77Å |
| 269 | V | 58.5 | Low | 49.5 | Very low | 71 Ų | 71 | 112.1 Ų | 112.1 | 43% | 0.43 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.4 | 106.1 | 176.5 | -176.8 | 0 | 0 | 0 | 0 | 109 | V9 I267 R271 | V9-V269 CarbonylContact O-C 3.53Å; V9-V269 WeakPolarHBondContact O-CA 3.42Å; I267-V269 HydrophobicContact CG2-CG2 4.23Å; V269-R271 HydrophobicContact CG1-CG 4.48Å; V269-R271 PolarHBondContact O-N 3.35Å |
| 270 | D | 62.5 | Low | 49.3 | Very low | 62 Ų | 62 | 116.7 Ų | 116.7 | 33% | 0.332 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.3 | 96.5 | 171.2 | -70.2 | -20.6 | 0 | 0 | 0 | 107.9 | V9 K10 E11 H268 | V9-D270 PolarHBondContact O-N 3.27Å; K10-D270 HydrophobicContact CB-CB 4.44Å; K10-D270 WeakPolarHBondContact CE-OD2 3.26Å; K10-D270 HydrophobicContact CG-CB 3.82Å; K10-D270 WeakPolarHBondContact CG-OD2 3.29Å; E11-D270 WeakPolarHBondContact CB-O 3.27Å; E11-D270 PolarHBondContact N-O 3.25Å; H268-D270 IonicContact CD2-OD1 3.87Å; H268-D270 PolarHBondContact CD2-OD1 3.06Å; H268-D270 IonicContact NE2-OD1 3.77Å |
| 271 | R | 65.4 | Low | 48.7 | Very low | 196 Ų | 196 | 111 Ų | 111 | 74% | 0.74 | 57% | 0.574 | S | S | * | * | trans | -69.3 | 144.2 | -179.1 | -70.1 | -169.5 | 179.4 | -162.2 | -1 | 112 | E11 V269 | E11-R271 VanDerWaalsContact OE2-CA 3.29Å; E11-R271 WeakPolarHBondContact OE2-CA 3.17Å; V269-R271 HydrophobicContact CG1-CG 4.48Å; V269-R271 PolarHBondContact O-N 3.35Å | ||
| 272 | L | 61.6 | Low | 48.7 | Very low | 35 Ų | 35 | 107.5 Ų | 107.5 | 18% | 0.183 | 56% | 0.561 | C | S | . | * | trans | -84.7 | 122.3 | 174.2 | 174.6 | 58.2 | 0 | 0 | 0 | 109.6 | E11 V12 I15 S38 V40 K274 | E11-L272 HydrophobicContact CB-CB 3.91Å; E11-L272 HydrophobicContact CG-CB 3.97Å; E11-L272 PolarHBondContact OE2-N 2.8Å; V12-L272 HydrophobicContact CG2-CB 4.28Å; V12-L272 HydrophobicContact CG2-CD1 3.68Å; V12-L272 HydrophobicContact CG2-CD2 4.24Å; V12-L272 HydrophobicContact CG2-CG 4.28Å; I15-L272 HydrophobicContact CD1-CB 4.5Å; I15-L272 HydrophobicContact CD1-CD2 3.45Å; I15-L272 VanDerWaalsContact CD1-CD2 3.45Å; S38-L272 WeakPolarHBondContact O-CD2 3.31Å; V40-L272 HydrophobicContact CG2-CD1 4.44Å; V40-L272 HydrophobicContact CG2-CD2 3.54Å; L272-K274 PolarHBondContact O-N 3.08Å | ||
| 273 | V | 62.2 | Low | 48.4 | Very low | 114 Ų | 114 | 103.4 Ų | 103.4 | 69% | 0.691 | 55% | 0.545 | S | S | * | . | trans | -67.8 | 96.4 | 168.1 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 274 | K | 51.5 | Low | 47.6 | Very low | 99 Ų | 99 | 105.5 Ų | 105.5 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 138.2 | 177.8 | -67.8 | -176.1 | 173.7 | -171.1 | 0 | 111 | E37 L272 | E37-K274 HydrophobicContact CG-CD 4.21Å; E37-K274 IonicContact OE1-NZ 2.83Å; E37-K274 PolarHBondContact OE1-NZ 2.91Å; L272-K274 PolarHBondContact O-N 3.08Å |
| 275 | P | 53.4 | Low | 46.8 | Very low | 55 Ų | 55 | 99.3 Ų | 99.3 | 36% | 0.357 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -53.2 | 142.4 | 169.7 | 22.7 | -35.3 | 0 | 0 | 0 | 111.2 | K36 E37 S38 K277 | K36-P275 WeakPolarHBondContact O-CG 3.44Å; E37-P275 VanDerWaalsContact O-CD 3.24Å; E37-P275 WeakPolarHBondContact O-CD 3.37Å; E37-P275 WeakPolarHBondContact O-CG 3.47Å; S38-P275 WeakPolarHBondContact O-CD 3.22Å; P275-K277 PolarHBondContact O-N 3.4Å; P275-K277 VanDerWaalsContact O-N 3.13Å |
| 276 | A | 46.8 | Very low | 45.9 | Very low | 48 Ų | 48 | 99.3 Ų | 99.3 | 40% | 0.397 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -61 | 118.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T278 | A276-T278 PolarHBondContact O-N 2.97Š|
| 277 | K | 41.1 | Very low | 45.5 | Very low | 127 Ų | 127 | 99.9 Ų | 99.9 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | trans | -57.8 | 111.1 | 179 | -61.6 | -163.7 | -176.4 | -159.4 | 0 | 109.8 | E37 P275 | E37-K277 VanDerWaalsContact CD-CE 3.45Å; E37-K277 WeakPolarHBondContact OE1-CE 3.44Å; E37-K277 IonicContact OE1-NZ 3.3Å; E37-K277 PolarHBondContact OE1-NZ 3.27Å; E37-K277 IonicContact OE2-NZ 3.82Å; E37-K277 PolarHBondContact OE2-NZ 2.95Å; P275-K277 PolarHBondContact O-N 3.4Å; P275-K277 VanDerWaalsContact O-N 3.13Å | ||
| 278 | T | 41.2 | Very low | 44.7 | Very low | 114 Ų | 114 | 97.9 Ų | 97.9 | 70% | 0.699 | 53% | 0.533 | S | S | * | . | trans | -59 | 151.1 | 161.6 | 36.3 | 0 | 0 | 0 | 0 | 109.1 | A276 | A276-T278 PolarHBondContact O-N 2.97Š| ||
| 279 | G | 37.3 | Very low | 43.6 | Very low | 69 Ų | 69 | 96.6 Ų | 96.6 | 71% | 0.711 | 54% | 0.536 | S | S | * | . | trans | -51 | 142.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A281 | G279-A281 VanDerWaalsContact C-N 3.27Å; G279-A281 PolarHBondContact O-N 3.49Å | ||
| 280 | Y | 34.3 | Very low | 42.4 | Very low | 192 Ų | 192 | 99.8 Ų | 99.8 | 75% | 0.753 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -68.6 | 77.9 | -175.1 | -133.5 | -97.4 | 0 | 0 | 0 | 111.2 | L283 | Y280-L283 HydrophobicContact CD1-CD1 4.11Å; Y280-L283 HydrophobicContact CD2-CD1 4.35Å; Y280-L283 HydrophobicContact CE1-CD1 3.44Å; Y280-L283 VanDerWaalsContact CE1-CD1 3.44Å; Y280-L283 HydrophobicContact CE2-CD1 3.72Å; Y280-L283 WeakPolarHBondContact OH-CD1 3.31Å |
| 281 | A | 33 | Very low | 41 | Very low | 86 Ų | 86 | 101.5 Ų | 101.5 | 71% | 0.711 | 55% | 0.553 | S | S | * | * | trans | -152.9 | 38.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G279 | G279-A281 VanDerWaalsContact C-N 3.27Å; G279-A281 PolarHBondContact O-N 3.49Å | ||
| 282 | D | 35.9 | Very low | 39.1 | Very low | 84 Ų | 84 | 95.9 Ų | 95.9 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -159 | 29.6 | 164.4 | -129 | 1.6 | 0 | 0 | 0 | 112.9 | T285 K290 | D282-T285 WeakPolarHBondContact OD1-CB 3.46Å; D282-T285 PolarHBondContact OD1-OG1 3.4Å; D282-K290 IonicContact OD1-NZ 2.73Å; D282-K290 IonicContact OD2-NZ 3.77Å; D282-K290 PolarHBondContact OD2-NZ 3.43Å |
| 283 | L | 37.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 99.3 Ų | 99.3 | 58% | 0.581 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -88.8 | -9.4 | -175 | -115 | 165.8 | 0 | 0 | 0 | 114.7 | Y280 | Y280-L283 HydrophobicContact CD1-CD1 4.11Å; Y280-L283 HydrophobicContact CD2-CD1 4.35Å; Y280-L283 HydrophobicContact CE1-CD1 3.44Å; Y280-L283 VanDerWaalsContact CE1-CD1 3.44Å; Y280-L283 HydrophobicContact CE2-CD1 3.72Å; Y280-L283 WeakPolarHBondContact OH-CD1 3.31Å |
| 284 | L | 32.2 | Very low | 36.3 | Very low | 170 Ų | 170 | 104.6 Ų | 104.6 | 89% | 0.89 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -147.1 | 18.6 | 178 | -85.6 | 180 | 0 | 0 | 0 | 113.8 | P286 | L284-P286 VanDerWaalsContact O-CD 3.28Å; L284-P286 WeakPolarHBondContact O-CD 3.29Å |
| 285 | T | 29.9 | Very low | 35.3 | Very low | 64 Ų | 64 | 105.6 Ų | 105.6 | 39% | 0.393 | 59% | 0.594 | S | S | . | * | trans | -72.7 | 115.4 | 177.1 | -41.5 | 0 | 0 | 0 | 0 | 109.1 | D282 S289 | D282-T285 WeakPolarHBondContact OD1-CB 3.46Å; D282-T285 PolarHBondContact OD1-OG1 3.4Å; T285-S289 WeakPolarHBondContact CG2-OG 3.16Å | ||
| 286 | P | 29.7 | Very low | 34.1 | Very low | 81 Ų | 81 | 108.3 Ų | 108.3 | 53% | 0.526 | 62% | 0.615 | S | S | . | * | trans | -65.5 | 141.7 | -179.7 | 27.5 | -33.7 | 0 | 0 | 0 | 110.1 | L284 I288 S289 | L284-P286 VanDerWaalsContact O-CD 3.28Å; L284-P286 WeakPolarHBondContact O-CD 3.29Å; P286-I288 PolarHBondContact O-N 2.9Å; P286-S289 PolarHBondContact O-N 3.23Å | ||
| 287 | L | 38.5 | Very low | 33.4 | Very low | 96 Ų | 96 | 110.4 Ų | 110.4 | 50% | 0.503 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.1 | 0.2 | -178.1 | -75.8 | 157.9 | 0 | 0 | 0 | 115.5 | P157 | P157-L287 HydrophobicContact CB-CD1 4.37Š|
| 288 | I | 36.1 | Very low | 32.9 | Very low | 75 Ų | 75 | 110.5 Ų | 110.5 | 39% | 0.385 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.1 | -27 | -176.5 | -60.7 | 152 | 0 | 0 | 0 | 111.2 | A100 M101 P286 K290 | A100-I288 HydrophobicContact CB-CD1 3.72Å; A100-I288 HydrophobicContact CB-CG1 3.75Å; A100-I288 HydrophobicContact CB-CG2 3.96Å; M101-I288 HydrophobicContact SD-CG2 4.47Å; P286-I288 PolarHBondContact O-N 2.9Å; I288-K290 VanDerWaalsContact C-N 3.31Å; I288-K290 PolarHBondContact O-N 3.04Å |
| 289 | S | 26.1 | Very low | 32.5 | Very low | 79 Ų | 79 | 112.4 Ų | 112.4 | 55% | 0.552 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 11.1 | -169.9 | 77.3 | 0 | 0 | 0 | 0 | 115.8 | T285 P286 | T285-S289 WeakPolarHBondContact CG2-OG 3.16Å; P286-S289 PolarHBondContact O-N 3.23Å |
| 290 | K | 34.8 | Very low | 32.1 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 25.8 | -177.8 | -68.7 | -174.3 | -178.2 | 171.3 | 0 | 113.2 | D282 I288 | D282-K290 IonicContact OD1-NZ 2.73Å; D282-K290 IonicContact OD2-NZ 3.77Å; D282-K290 PolarHBondContact OD2-NZ 3.43Å; I288-K290 VanDerWaalsContact C-N 3.31Å; I288-K290 PolarHBondContact O-N 3.04Å |
| 291 | L | 32.9 | Very low | 32.2 | Very low | 97 Ų | 97 | 117.6 Ų | 117.6 | 51% | 0.508 | 64% | 0.642 | S | S | . | * | trans | -120.5 | 57 | -178.7 | -76.6 | 159.3 | 0 | 0 | 0 | 113.5 | V97 | V97-L291 HydrophobicContact CB-CD1 3.88Å; V97-L291 HydrophobicContact CG1-CB 4.22Å; V97-L291 HydrophobicContact CG1-CD1 3.55Å; V97-L291 HydrophobicContact CG1-CG 4.5Å; V97-L291 HydrophobicContact CG2-CD1 3.17Å | ||
| 292 | S | 24.8 | Very low | 32.1 | Very low | 78 Ų | 78 | 118.7 Ų | 118.7 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -141.8 | 154.9 | 154.7 | 67.9 | 0 | 0 | 0 | 0 | 108.2 | H109 | H109-S292 VanDerWaalsContact CE1-CB 3.5Å; H109-S292 WeakPolarHBondContact CE1-CB 3.29Å |
| 293 | P | 33.6 | Very low | 32.6 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -78.8 | 143.8 | -150.9 | 29.1 | -35.6 | 0 | 0 | 0 | 114.8 | ||
| 294 | Y | 30.8 | Very low | 32.7 | Very low | 225 Ų | 225 | 120.2 Ų | 120.2 | 88% | 0.882 | 65% | 0.648 | S | S | * | * | trans | 70.2 | 103.2 | 176.4 | -67.9 | -80.9 | 0 | 0 | 0 | 118.6 | ||||
| 295 | P | 30.6 | Very low | 33.1 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 77% | 0.773 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 130.3 | 131.3 | 1.1 | 18.7 | 0 | 0 | 0 | 109.9 | S297 | P295-S297 PolarHBondContact O-N 3.42Š|
| 296 | S | 29.3 | Very low | 33.7 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 79% | 0.79 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 117.9 | 175 | 52 | 0 | 0 | 0 | 0 | 111.9 | ||
| 297 | S | 31.5 | Very low | 34.7 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 64% | 0.643 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 135.5 | 173.7 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | P295 L299 | P295-S297 PolarHBondContact O-N 3.42Å; S297-L299 VanDerWaalsContact C-N 3.28Å; S297-L299 PolarHBondContact O-N 3.32Å |
| 298 | P | 29.8 | Very low | 35.4 | Very low | 128 Ų | 128 | 113.4 Ų | 113.4 | 83% | 0.831 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -92.4 | 37.9 | 177 | 37.5 | -35.4 | 0 | 0 | 0 | 112.4 | ||
| 299 | L | 33.2 | Very low | 36.2 | Very low | 154 Ų | 154 | 109.9 Ų | 109.9 | 81% | 0.806 | 59% | 0.591 | S | S | * | * | trans | -139.3 | 85 | 179.2 | -73.8 | 176.8 | 0 | 0 | 0 | 111.2 | S297 | S297-L299 VanDerWaalsContact C-N 3.28Å; S297-L299 PolarHBondContact O-N 3.32Å | ||
| 300 | R | 28.5 | Very low | 37.5 | Very low | 237 Ų | 237 | 109.8 Ų | 109.8 | 89% | 0.894 | 59% | 0.587 | S | S | * | * | trans | -99.7 | 98.1 | 171.2 | -143.2 | -179 | -164.2 | -171.4 | 5 | 110 | ||||
| 301 | R | 36.3 | Very low | 38.3 | Very low | 134 Ų | 134 | 112.4 Ų | 112.4 | 51% | 0.506 | 59% | 0.593 | S | S | . | * | trans | -69.9 | 157.2 | 159 | -83.6 | -174.4 | -178.2 | 170.5 | 1.8 | 109.5 | ||||
| 302 | P | 32.5 | Very low | 39.2 | Very low | 109 Ų | 109 | 108.8 Ų | 108.8 | 71% | 0.708 | 58% | 0.576 | S | S | * | * | trans | -62.5 | 162.2 | 170.5 | -20 | 33.8 | 0 | 0 | 0 | 113 | ||||
| 303 | Q | 45.3 | Very low | 40.2 | Very low | 181 Ų | 181 | 108 Ų | 108 | 85% | 0.846 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -92.9 | 105.5 | -171.6 | -64.9 | 170.2 | -59.1 | 0 | 0 | 113.3 | ||
| 304 | S | 39.5 | Very low | 40.8 | Very low | 46 Ų | 46 | 107 Ų | 107 | 32% | 0.322 | 55% | 0.554 | S | S | . | * | trans | -169.5 | 153.2 | 142.4 | 64.8 | 0 | 0 | 0 | 0 | 110.2 | D306 T307 Y308 | S304-D306 PolarHBondContact O-N 2.78Å; S304-T307 PolarHBondContact O-N 3.19Å; S304-T307 PolarHBondContact O-OG1 3.2Å; S304-T307 PolarHBondContact OG-N 3.48Å; S304-T307 PolarHBondContact OG-OG1 2.98Å; S304-Y308 WeakPolarHBondContact O-CD2 3.02Å; S304-Y308 WeakPolarHBondContact O-CE2 3.39Å | ||
| 305 | A | 42.5 | Very low | 41.4 | Very low | 20 Ų | 20 | 101.1 Ų | 101.1 | 17% | 0.165 | 54% | 0.544 | C | S | . | . | G | 310 helix | trans | -60.9 | -34.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P70 T307 Y308 | P70-A305 HydrophobicContact CG-CB 4.47Å; A305-T307 PolarHBondContact O-N 2.66Å; A305-Y308 PolarHBondContact O-N 2.87Å |
| 306 | D | 41.4 | Very low | 41.8 | Very low | 123 Ų | 123 | 99.9 Ų | 99.9 | 66% | 0.658 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -69.5 | -16.5 | -175 | -42.6 | -61.8 | 0 | 0 | 0 | 114.2 | S304 T310 | S304-D306 PolarHBondContact O-N 2.78Å; D306-T310 PolarHBondContact O-OG1 2.82Å |
| 307 | T | 51.6 | Low | 42.1 | Very low | 80 Ų | 80 | 100.4 Ų | 100.4 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -91.9 | -1.6 | 178.1 | 45.8 | 0 | 0 | 0 | 0 | 114.3 | S304 A305 T310 | S304-T307 PolarHBondContact O-N 3.19Å; S304-T307 PolarHBondContact O-OG1 3.2Å; S304-T307 PolarHBondContact OG-N 3.48Å; S304-T307 PolarHBondContact OG-OG1 2.98Å; A305-T307 PolarHBondContact O-N 2.66Å; T307-T310 WeakPolarHBondContact CA-OG1 3.44Å |
| 308 | Y | 52.5 | Low | 42.5 | Very low | 45 Ų | 45 | 101.5 Ų | 101.5 | 18% | 0.176 | 54% | 0.535 | C | S | . | . | S | Bend | trans | -84.4 | -29.3 | -178.6 | -80.7 | -82.7 | 0 | 0 | 0 | 115.2 | F51 F67 S304 A305 | F51-Y308 HydrophobicContact CE1-CD1 4.25Å; F51-Y308 HydrophobicContact CE1-CE1 4.41Å; F67-Y308 AromaticContact CD2-CD1 3.8Å; F67-Y308 HydrophobicContact CD2-CD1 3.8Å; F67-Y308 HydrophobicContact CD2-CG 4.05Å; F67-Y308 HydrophobicContact CE2-CD1 4.28Å; S304-Y308 WeakPolarHBondContact O-CD2 3.02Å; S304-Y308 WeakPolarHBondContact O-CE2 3.39Å; A305-Y308 PolarHBondContact O-N 2.87Å |
| 309 | M | 52.4 | Low | 42.9 | Very low | 1 Ų | 1 | 98.8 Ų | 98.8 | 1% | 0.005 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -126.5 | 16.5 | -172.8 | -68.8 | -171.3 | 170.1 | 0 | 0 | 114 | F67 I68 L71 I176 R311 S312 L313 | F67-M309 HydrophobicContact CD1-CE 3.51Å; F67-M309 HydrophobicContact CD2-CE 4.42Å; F67-M309 HydrophobicContact CE1-CE 3.21Å; F67-M309 HydrophobicContact CE2-CE 4.17Å; F67-M309 HydrophobicContact CE2-CG 4.08Å; F67-M309 HydrophobicContact CG-CE 4.12Å; F67-M309 HydrophobicContact CZ-CE 3.58Å; F67-M309 HydrophobicContact CZ-CG 4.03Å; F67-M309 VanDerWaalsContact O-CE 3.27Å; F67-M309 WeakPolarHBondContact O-CE 3.14Å; I68-M309 HydrophobicContact CD1-CE 4.09Å; L71-M309 HydrophobicContact CD1-CE 4.08Å; L71-M309 HydrophobicContact CD1-SD 4.16Å; L71-M309 HydrophobicContact CD2-SD 4.14Å; L71-M309 HydrophobicContact CG-CE 4.33Å; L71-M309 HydrophobicContact CG-SD 3.88Å; I176-M309 HydrophobicContact CD1-CE 3.56Å; I176-M309 HydrophobicContact CD1-SD 4.12Å; M309-R311 PolarHBondContact O-N 3Å; M309-S312 PolarHBondContact O-N 3.12Å; M309-S312 VanDerWaalsContact O-N 3.08Å; M309-L313 HydrophobicContact CB-CD1 3.6Å; M309-L313 HydrophobicContact CB-CG 3.96Å; M309-L313 PolarHBondContact O-N 3.35Å; M309-L313 VanDerWaalsContact O-N 3.1Å; M309-L313 HydrophobicContact SD-CD1 4.46Å |
| 310 | T | 53.2 | Low | 43 | Very low | 77 Ų | 77 | 99.9 Ų | 99.9 | 47% | 0.472 | 54% | 0.536 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -22.1 | -167.6 | -33.1 | 0 | 0 | 0 | 0 | 113.9 | D306 T307 | D306-T310 PolarHBondContact O-OG1 2.82Å; T307-T310 WeakPolarHBondContact CA-OG1 3.44Å |
| 311 | R | 51.3 | Low | 43.3 | Very low | 193 Ų | 193 | 92 Ų | 92 | 73% | 0.728 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -49.9 | 173.1 | -70.7 | -177.2 | 177 | 176.4 | -1.2 | 112.4 | D47 M309 L313 | D47-R311 IonicContact OD2-NH1 3.95Å; M309-R311 PolarHBondContact O-N 3Å; R311-L313 PolarHBondContact O-N 3.33Å |
| 312 | S | 51.6 | Low | 43 | Very low | 21 Ų | 21 | 94.5 Ų | 94.5 | 15% | 0.147 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -30 | -176 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | D48 M309 | D48-S312 WeakPolarHBondContact OD2-CB 3.35Å; D48-S312 PolarHBondContact OD2-OG 3.03Å; M309-S312 PolarHBondContact O-N 3.12Å; M309-S312 VanDerWaalsContact O-N 3.08Å |
| 313 | L | 46.5 | Very low | 42.6 | Very low | 63 Ų | 63 | 93.5 Ų | 93.5 | 33% | 0.33 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -15.3 | -175.7 | -67.8 | 172.5 | 0 | 0 | 0 | 115.2 | P70 L71 M309 R311 P315 | P70-L313 HydrophobicContact CB-CD1 3.92Å; L71-L313 HydrophobicContact CD2-CD2 3.7Å; M309-L313 HydrophobicContact CB-CD1 3.6Å; M309-L313 HydrophobicContact CB-CG 3.96Å; M309-L313 PolarHBondContact O-N 3.35Å; M309-L313 VanDerWaalsContact O-N 3.1Å; M309-L313 HydrophobicContact SD-CD1 4.46Å; R311-L313 PolarHBondContact O-N 3.33Å; L313-P315 VanDerWaalsContact C-CD 3.48Å; L313-P315 WeakPolarHBondContact O-CD 3.17Å |
| 314 | N | 45.7 | Very low | 41.9 | Very low | 85 Ų | 85 | 90 Ų | 90 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | trans | -127.1 | 64.4 | -176.5 | -84 | -44.7 | 0 | 0 | 0 | 113.2 | A316 L317 | N314-A316 PolarHBondContact O-N 2.92Å; N314-L317 HydrophobicContact CB-CD1 4.31Å; N314-L317 PolarHBondContact O-N 3.05Å | ||
| 315 | P | 45.2 | Very low | 41.1 | Very low | 103 Ų | 103 | 93.8 Ų | 93.8 | 67% | 0.669 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -12.8 | 179.9 | 27.9 | -36.2 | 0 | 0 | 0 | 114.1 | L313 | L313-P315 VanDerWaalsContact C-CD 3.48Å; L313-P315 WeakPolarHBondContact O-CD 3.17Å |
| 316 | A | 37.2 | Very low | 40.4 | Very low | 92 Ų | 92 | 95.8 Ų | 95.8 | 76% | 0.76 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -12.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N314 | N314-A316 PolarHBondContact O-N 2.92Š|
| 317 | L | 37.3 | Very low | 39.6 | Very low | 125 Ų | 125 | 97.9 Ų | 97.9 | 65% | 0.654 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -94.1 | -9.6 | -179.2 | -68.8 | 175.6 | 0 | 0 | 0 | 114 | N314 G319 L320 | N314-L317 HydrophobicContact CB-CD1 4.31Å; N314-L317 PolarHBondContact O-N 3.05Å; L317-G319 PolarHBondContact O-N 3.3Å; L317-L320 PolarHBondContact O-N 3.38Å |
| 318 | D | 38.4 | Very low | 38.4 | Very low | 114 Ų | 114 | 98.1 Ų | 98.1 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -0.3 | 175.6 | -92.3 | -19.6 | 0 | 0 | 0 | 114.4 | L320 | D318-L320 VanDerWaalsContact C-N 3.29Å; D318-L320 PolarHBondContact O-N 3.11Å |
| 319 | G | 37.9 | Very low | 37.3 | Very low | 71 Ų | 71 | 102 Ų | 102 | 73% | 0.732 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -15.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L317 | L317-G319 PolarHBondContact O-N 3.3Š|
| 320 | L | 36.4 | Very low | 36.1 | Very low | 177 Ų | 177 | 112.2 Ų | 112.2 | 93% | 0.927 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -122.7 | 2.7 | -176.9 | -71.8 | 176.4 | 0 | 0 | 0 | 114.9 | L317 D318 | L317-L320 PolarHBondContact O-N 3.38Å; D318-L320 VanDerWaalsContact C-N 3.29Å; D318-L320 PolarHBondContact O-N 3.11Å |
| 321 | S | 35.3 | Very low | 34.8 | Very low | 73 Ų | 73 | 112.3 Ų | 112.3 | 51% | 0.51 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -125.4 | 27.9 | -177.9 | 44.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 322 | Y | 29.2 | Very low | 33.6 | Very low | 185 Ų | 185 | 109.4 Ų | 109.4 | 73% | 0.725 | 65% | 0.652 | S | S | * | * | trans | -157.7 | 103.7 | 152.4 | -107.1 | -70.1 | 0 | 0 | 0 | 113.4 | L324 | Y322-L324 HydrophobicContact CD1-CD2 4.05Å; Y322-L324 HydrophobicContact CG-CD2 4.27Å; Y322-L324 PolarHBondContact O-N 2.92Å; Y322-L324 VanDerWaalsContact O-N 3.17Å | ||
| 323 | G | 25.1 | Very low | 32.4 | Very low | 88 Ų | 88 | 112.3 Ų | 112.3 | 91% | 0.907 | 69% | 0.685 | S | S | * | * | trans | -76.1 | 91.7 | 162 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 324 | L | 29.8 | Very low | 31.4 | Very low | 107 Ų | 107 | 112.7 Ų | 112.7 | 56% | 0.56 | 71% | 0.705 | S | S | * | * | trans | -78.8 | 145.4 | -171.6 | -66.2 | 163.9 | 0 | 0 | 0 | 113.8 | Y322 G326 | Y322-L324 HydrophobicContact CD1-CD2 4.05Å; Y322-L324 HydrophobicContact CG-CD2 4.27Å; Y322-L324 PolarHBondContact O-N 2.92Å; Y322-L324 VanDerWaalsContact O-N 3.17Å; L324-G326 PolarHBondContact O-N 2.95Å | ||
| 325 | S | 23.2 | Very low | 30.5 | Very low | 126 Ų | 126 | 117.6 Ų | 117.6 | 88% | 0.881 | 73% | 0.725 | S | S | * | * | trans | -62.1 | 111.6 | 142.1 | 52.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 326 | G | 26.5 | Very low | 29.7 | Very low | 63 Ų | 63 | 119.9 Ų | 119.9 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | trans | -113.1 | 145.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L324 | L324-G326 PolarHBondContact O-N 2.95Š| ||
| 327 | Q | 25.8 | Very low | 29.2 | Very low | 167 Ų | 167 | 121.6 Ų | 121.6 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | trans | -177.9 | 144.3 | 151.9 | -103 | -177.9 | 13.6 | 0 | 0 | 107.7 | ||||
| 328 | D | 25.1 | Very low | 29.4 | Very low | 85 Ų | 85 | 121.7 Ų | 121.7 | 46% | 0.455 | 74% | 0.738 | S | S | . | * | cis | -170 | 146 | -10.5 | -146.6 | -11.2 | 0 | 0 | 0 | 110.2 | ||||
| 329 | K | 30.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 119.9 Ų | 119.9 | 54% | 0.543 | 75% | 0.747 | S | S | . | * | trans | 63.1 | 154.6 | 157.6 | -69.2 | 147.1 | -171.5 | 156.7 | 0 | 117.9 | ||||
| 330 | R | 26.1 | Very low | 28.3 | Very low | 216 Ų | 216 | 127 Ų | 127 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | cis | -168.9 | 169.1 | 1.9 | -104.7 | 162.3 | 177.2 | 173.1 | -3.1 | 106.3 | ||||
| 331 | A | 26.2 | Very low | 27.8 | Very low | 79 Ų | 79 | 122.3 Ų | 122.3 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | cis | -176.1 | 176.3 | -22.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 332 | S | 27.1 | Very low | 27.5 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 92% | 0.923 | 77% | 0.77 | S | S | * | * | trans | 68 | 137.3 | 178.7 | 71.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 333 | G | 25.5 | Very low | 27.4 | Very low | 83 Ų | 83 | 122.1 Ų | 122.1 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | cis | 141.5 | 141.4 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 334 | G | 26.1 | Very low | 28 | Very low | 71 Ų | 71 | 123.6 Ų | 123.6 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | cis | 178.4 | -175.1 | -2.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 335 | E | 27 | Very low | 27.8 | Very low | 187 Ų | 187 | 126.1 Ų | 126.1 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 66.2 | 141.6 | 173.2 | -81.7 | -178.6 | -172.6 | 0 | 0 | 117.4 | ||||
| 336 | I | 27.1 | Very low | 28.2 | Very low | 152 Ų | 152 | 125.3 Ų | 125.3 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -149.5 | 169.2 | 22.1 | -102.9 | 140.6 | 0 | 0 | 0 | 112.5 | ||||
| 337 | V | 28 | Very low | 28.2 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -94.5 | 179.2 | -172.7 | 165.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 338 | P | 40.9 | Very low | 28.3 | Very low | 126 Ų | 126 | 128 Ų | 128 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -125.8 | 175.3 | -15.4 | 26.7 | -5.1 | 0 | 0 | 0 | 116.4 | ||||
| 339 | G | 26.6 | Very low | 28.3 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 179.8 | 101 | 158.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 340 | K | 25.9 | Very low | 28 | Very low | 220 Ų | 220 | 132.9 Ų | 132.9 | 96% | 0.957 | 81% | 0.814 | S | S | * | * | trans | -8.8 | 134.6 | 166 | -67 | 174.1 | 173.6 | 178.1 | 0 | 120.1 | ||||
| 341 | G | 27.6 | Very low | 27.9 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -178.3 | 113 | 155.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 342 | V | 27.2 | Very low | 27.7 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -98.1 | 137.7 | -175.3 | -177.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 343 | S | 28.8 | Very low | 27.5 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | trans | -57 | 158.4 | 172.1 | -36 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 344 | P | 37.4 | Very low | 27.4 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | -152.6 | 155.3 | 82.3 | 38.3 | -19 | 0 | 0 | 0 | 117.8 | |||||
| 345 | M | 25.6 | Very low | 27.8 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | 45.6 | 121.9 | 132.4 | -151.5 | 152.5 | -80.3 | 0 | 0 | 121.2 | ||||
| 346 | S | 31.3 | Very low | 27.6 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -65.8 | 132.7 | 169.8 | 49.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 347 | H | 25.8 | Very low | 27.6 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | -129.7 | 125.5 | 157 | -77.9 | -80.6 | 0 | 0 | 0 | 110.2 | ||||
| 348 | S | 28.8 | Very low | 27.4 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -98.7 | 128.4 | 166.1 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 349 | F | 24.3 | Very low | 26.7 | Very low | 210 Ų | 210 | 132.7 Ų | 132.7 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | 159.3 | 125.8 | 150.2 | -96.2 | -65.9 | 0 | 0 | 0 | 110.5 | ||||
| 350 | A | 24.4 | Very low | 26.7 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -170.6 | 134.4 | 140.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 351 | N | 23.6 | Very low | 26.6 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 69% | 0.69 | 80% | 0.802 | S | S | * | * | trans | -137.7 | 122.7 | 166.9 | 179.5 | 20 | 0 | 0 | 0 | 106.9 | ||||
| 352 | F | 23 | Very low | 26.5 | Very low | 203 Ų | 203 | 139.8 Ų | 139.8 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -155.9 | 154.3 | 173.6 | -97.8 | -69.6 | 0 | 0 | 0 | 112.8 | ||||
| 353 | H | 22.7 | Very low | 26.3 | Very low | 147 Ų | 147 | 137 Ų | 137 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | trans | -117.9 | 168.1 | -179 | -62.4 | 22.4 | 0 | 0 | 0 | 109.1 | ||||
| 354 | Y | 23.5 | Very low | 26 | Very low | 206 Ų | 206 | 142.8 Ų | 142.8 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | cis | -151.6 | -141.4 | 5.5 | -142.3 | -146.2 | 0 | 0 | 0 | 106.4 | ||||
| 355 | P | 35.2 | Very low | 25.3 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | -133.3 | 164.1 | -8.6 | 41.4 | -24.2 | 0 | 0 | 0 | 117.3 | ||||
| 356 | G | 22.8 | Very low | 25.2 | Very low | 62 Ų | 62 | 140.7 Ų | 140.7 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | trans | 88.3 | 136.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 357 | V | 25.6 | Very low | 24.8 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | cis | -142.7 | 130.9 | 16.2 | 169.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 358 | G | 24.5 | Very low | 24.8 | Very low | 80 Ų | 80 | 141.9 Ų | 141.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 52.5 | 118.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 359 | G | 25.6 | Very low | 24.4 | Very low | 75 Ų | 75 | 146.2 Ų | 146.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | 171.7 | 44.7 | 166 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 360 | Q | 27.4 | Very low | 24.4 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | 52.7 | 122 | 156.2 | -57 | -175.7 | 13.7 | 0 | 0 | 120.7 | ||||
| 361 | N | 22.9 | Very low | 24.4 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -61.4 | 152.2 | 157.6 | -59.5 | -52 | 0 | 0 | 0 | 111.1 | ||||
| 362 | L | 25.9 | Very low | 24.5 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | -169.1 | 163.6 | 121.7 | -104 | 165.6 | 0 | 0 | 0 | 113.7 | |||||
| 363 | S | 22.4 | Very low | 24.5 | Very low | 90 Ų | 90 | 136.1 Ų | 136.1 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | trans | -101.9 | 174.6 | -168.4 | 58.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 364 | R | 23.6 | Very low | 24.6 | Very low | 227 Ų | 227 | 138.2 Ų | 138.2 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | 88.5 | 119.8 | 146.2 | -91.1 | -172.2 | 172.2 | 172.8 | -2.1 | 120.5 | ||||
| 365 | S | 21.8 | Very low | 24.5 | Very low | 89 Ų | 89 | 133.2 Ų | 133.2 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | 73.7 | 125.1 | 116.5 | -67.6 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 366 | L | 23.6 | Very low | 23.9 | Very low | 148 Ų | 148 | 135 Ų | 135 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | 84.1 | 135.1 | 122.2 | -73 | 174 | 0 | 0 | 0 | 122.2 | |||||
| 367 | M | 22.8 | Very low | 23.9 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 78.1 | 107.3 | 141.2 | -66 | -82.8 | -175.1 | 0 | 0 | 120.4 | ||||
| 368 | M | 25.5 | Very low | 23.9 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 77% | 0.768 | 77% | 0.77 | S | S | * | * | 59.4 | 125.3 | 112.3 | -170.3 | 176.4 | 174.4 | 0 | 0 | 120.3 | |||||
| 369 | E | 21.2 | Very low | 23.8 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | -139.6 | 156.8 | 146.4 | -125.1 | 171.2 | -162.4 | 0 | 0 | 110 | ||||
| 370 | S | 24.1 | Very low | 23.7 | Very low | 87 Ų | 87 | 145.1 Ų | 145.1 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | trans | -147.5 | 153.1 | -164.7 | -168.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 371 | S | 24.6 | Very low | 23.9 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -163.1 | 109.8 | 165.8 | -67.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 372 | D | 25.7 | Very low | 23.9 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | 78.8 | 133.7 | 84.7 | -75.5 | -14.6 | 0 | 0 | 0 | 112.9 | |||||
| 373 | C | 24 | Very low | 23.8 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | cis | -162 | 146.7 | -0.8 | -107.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 374 | H | 23.4 | Very low | 23.9 | Very low | 190 Ų | 190 | 140 Ų | 140 | 88% | 0.88 | 75% | 0.749 | S | S | * | * | 173.6 | 136.2 | 121.4 | -97.5 | -64.3 | 0 | 0 | 0 | 113.8 | |||||
| 375 | S | 21.6 | Very low | 23.8 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -105.4 | 158.4 | -178.3 | 51.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 376 | I | 23.2 | Very low | 23.8 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -154.5 | 120.9 | 137.7 | -68 | -157.8 | 0 | 0 | 0 | 109.2 | ||||
| 377 | F | 23.5 | Very low | 23.7 | Very low | 175 Ų | 175 | 141.5 Ų | 141.5 | 77% | 0.768 | 76% | 0.755 | S | S | * | * | trans | 25.1 | 152.8 | 140.3 | -77.2 | -99.8 | 0 | 0 | 0 | 122.4 | ||||
| 378 | E | 23.8 | Very low | 23.9 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | cis | -158.6 | 151.2 | 17.9 | -157.6 | 141.6 | -137.3 | 0 | 0 | 112.3 | ||||
| 379 | E | 23.2 | Very low | 24.4 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | 40.5 | 149.7 | 148.5 | -70.3 | -175.4 | 167.2 | 0 | 0 | 123.6 | ||||
| 380 | S | 23.8 | Very low | 24.6 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | cis | -160.3 | 172.4 | 0.7 | -114.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 381 | P | 30.8 | Very low | 24.6 | Very low | 104 Ų | 104 | 136 Ų | 136 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | -119.2 | 176.8 | -152 | 44.2 | -36.5 | 0 | 0 | 0 | 118 | ||||
| 382 | E | 23.3 | Very low | 24.7 | Very low | 175 Ų | 175 | 138.2 Ų | 138.2 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | 60.9 | 135.3 | 149.8 | -77.1 | 176.5 | -154.1 | 0 | 0 | 122.4 | ||||
| 383 | T | 24.4 | Very low | 24.6 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | 178.2 | 148.2 | 102.4 | 30.2 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 384 | S | 23.3 | Very low | 24.6 | Very low | 101 Ų | 101 | 142.4 Ų | 142.4 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 38.5 | 123 | 152.9 | 56 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 385 | R | 22.7 | Very low | 24.7 | Very low | 236 Ų | 236 | 138.1 Ų | 138.1 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | 84.7 | 144.5 | 58.8 | -88.4 | -168.6 | 173.1 | 178.6 | -0.4 | 116.5 | |||||
| 386 | T | 22.1 | Very low | 25 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | trans | 82.6 | 115.4 | 149.4 | 40.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 387 | D | 21.5 | Very low | 25 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | 95.5 | 125.6 | 125.8 | -58.1 | -12.6 | 0 | 0 | 0 | 123.9 | |||||
| 388 | T | 26.8 | Very low | 25 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -76.4 | 165.7 | 157.2 | 48.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 389 | P | 35.1 | Very low | 25.2 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | -161.1 | 161.3 | 58.8 | 43.1 | -19.4 | 0 | 0 | 0 | 121.5 | |||||
| 390 | V | 25.9 | Very low | 26.3 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 65.2 | 148.6 | 131.8 | 173.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 391 | D | 24.3 | Very low | 26.6 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | 91.3 | 142.6 | 164.7 | -83.6 | 5.5 | 0 | 0 | 0 | 119.7 | ||||
| 392 | K | 26.5 | Very low | 26.3 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 67% | 0.665 | 78% | 0.775 | S | S | * | * | cis | -172.5 | 151.4 | -23.7 | -129.7 | -173.3 | -151.6 | 89.7 | 0 | 110.3 | ||||
| 393 | M | 23.9 | Very low | 26.4 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 63.9 | 151.2 | 156 | -77.5 | -170.1 | 164.7 | 0 | 0 | 119.2 | ||||
| 394 | L | 24.2 | Very low | 26.9 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | cis | -140.4 | -170.2 | 7.1 | -80.7 | 103.8 | 0 | 0 | 0 | 109.6 | ||||
| 395 | S | 25.9 | Very low | 27 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | cis | 179.2 | 164 | -49.6 | -166.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 396 | S | 26.2 | Very low | 27.3 | Very low | 124 Ų | 124 | 129 Ų | 129 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | 68.5 | 141.5 | 170.9 | 75.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 397 | G | 24.9 | Very low | 27.7 | Very low | 79 Ų | 79 | 128.3 Ų | 128.3 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | cis | -175 | 168.8 | -6.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 398 | A | 23.2 | Very low | 28.6 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | cis | -157.4 | 174.1 | 9.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 399 | A | 26.4 | Very low | 28.7 | Very low | 91 Ų | 91 | 124.6 Ų | 124.6 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | trans | -123.4 | -176.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 400 | P | 47.8 | Very low | 28.4 | Very low | 108 Ų | 108 | 129 Ų | 129 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | -159.4 | 159 | 77 | 40.6 | -19.3 | 0 | 0 | 0 | 119.8 | |||||
| 401 | N | 29.1 | Very low | 28.6 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | 56.8 | 155.7 | 139.4 | -57.7 | -7.2 | 0 | 0 | 0 | 121.8 | ||||
| 402 | A | 25.3 | Very low | 28.9 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | cis | -150 | 166.6 | 19.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 403 | R | 25.3 | Very low | 29.2 | Very low | 235 Ų | 235 | 128.7 Ų | 128.7 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -117.1 | 176.2 | 160.4 | -78.9 | -175.4 | 175.3 | 176.3 | -2.3 | 109.5 | ||||
| 404 | P | 34.7 | Very low | 29.5 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -124.8 | 166.6 | 141 | 17.1 | 3.2 | 0 | 0 | 0 | 115.2 | ||||
| 405 | D | 24.8 | Very low | 30.1 | Very low | 157 Ų | 157 | 122.5 Ų | 122.5 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -93 | 178 | -170.3 | -61.5 | -58.8 | 0 | 0 | 0 | 113.5 | ||||
| 406 | S | 30.6 | Very low | 30.5 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | cis | -175.4 | 146 | -22.5 | 53.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 407 | A | 29.4 | Very low | 31 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 66.6 | 164.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 408 | P | 40.7 | Very low | 31.8 | Very low | 125 Ų | 125 | 122 Ų | 122 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | cis | -132.2 | 154.4 | -5.7 | 38.6 | -21.7 | 0 | 0 | 0 | 117.7 | ||||
| 409 | G | 28.2 | Very low | 32.5 | Very low | 75 Ų | 75 | 122.2 Ų | 122.2 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | 65.6 | 118.4 | 138.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 410 | E | 28.3 | Very low | 33.1 | Very low | 202 Ų | 202 | 128 Ų | 128 | 94% | 0.944 | 76% | 0.762 | S | S | * | * | 178.6 | 158.1 | 118.5 | -99.4 | -176 | -179.6 | 0 | 0 | 111.9 | |||||
| 411 | D | 31 | Very low | 33 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 93% | 0.925 | 75% | 0.754 | S | S | * | * | trans | -89 | 120.7 | -173.1 | -74.1 | -62.8 | 0 | 0 | 0 | 114 | ||||
| 412 | A | 31.3 | Very low | 33.8 | Very low | 84 Ų | 84 | 125.9 Ų | 125.9 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | trans | -163 | 146.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 413 | P | 32.4 | Very low | 34.7 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -84.9 | 127.1 | 174.8 | 32.8 | -31.7 | 0 | 0 | 0 | 111.7 | ||||
| 414 | T | 29.6 | Very low | 35.7 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | trans | -104 | 142.5 | 179.6 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 415 | A | 38 | Very low | 36.4 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | trans | -96.8 | 24 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | S417 | A415-S417 VanDerWaalsContact C-N 3.34Å; A415-S417 PolarHBondContact O-N 3.46Å | ||
| 416 | E | 34.5 | Very low | 37.8 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -80.8 | -4.8 | -166.8 | -64.9 | -178.4 | 148.1 | 0 | 0 | 115.2 | ||
| 417 | S | 35.1 | Very low | 39.3 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 66% | 0.664 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -81.3 | -14.3 | 178.6 | 64 | 0 | 0 | 0 | 0 | 114.3 | A415 N421 | A415-S417 VanDerWaalsContact C-N 3.34Å; A415-S417 PolarHBondContact O-N 3.46Å; S417-N421 PolarHBondContact O-ND2 2.77Å |
| 418 | A | 41.7 | Very low | 40.8 | Very low | 54 Ų | 54 | 117.4 Ų | 117.4 | 45% | 0.446 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -80.3 | -55.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R420 N421 E422 | A418-R420 VanDerWaalsContact C-N 3.28Å; A418-R420 PolarHBondContact O-N 2.72Å; A418-N421 WeakPolarHBondContact O-CA 3.5Å; A418-N421 PolarHBondContact O-N 2.89Å; A418-E422 PolarHBondContact O-N 3.45Å |
| 419 | D | 39 | Very low | 41.7 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -53.9 | -40.8 | -179.9 | -84.3 | -35.9 | 0 | 0 | 0 | 113 | N421 E422 L423 | D419-N421 VanDerWaalsContact C-N 3.28Å; D419-N421 PolarHBondContact O-N 3.08Å; D419-E422 PolarHBondContact O-N 3Å; D419-L423 WeakPolarHBondContact O-CB 3.4Å; D419-L423 PolarHBondContact O-N 3.08Å |
| 420 | R | 38.1 | Very low | 43.5 | Very low | 211 Ų | 211 | 117.7 Ų | 117.7 | 80% | 0.796 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.6 | -30.3 | 176.4 | -96.1 | -161.2 | -176.4 | -160.3 | 5.2 | 114 | A418 R424 | A418-R420 VanDerWaalsContact C-N 3.28Å; A418-R420 PolarHBondContact O-N 2.72Å; R420-R424 WeakPolarHBondContact O-CB 3.33Å; R420-R424 PolarHBondContact O-N 2.93Å |
| 421 | N | 46.5 | Very low | 45.3 | Very low | 101 Ų | 101 | 112.9 Ų | 112.9 | 54% | 0.54 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -81.1 | -37.6 | 176.5 | -77.8 | -21.9 | 0 | 0 | 0 | 111 | S417 A418 D419 R424 E425 | S417-N421 PolarHBondContact O-ND2 2.77Å; A418-N421 WeakPolarHBondContact O-CA 3.5Å; A418-N421 PolarHBondContact O-N 2.89Å; D419-N421 VanDerWaalsContact C-N 3.28Å; D419-N421 PolarHBondContact O-N 3.08Å; N421-R424 PolarHBondContact O-N 3.44Å; N421-E425 PolarHBondContact O-N 2.91Å |
| 422 | E | 46 | Very low | 46.8 | Very low | 125 Ų | 125 | 110.2 Ų | 110.2 | 58% | 0.584 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.4 | -40.9 | 175.2 | -67.5 | -170.6 | -171.7 | 0 | 0 | 112.3 | A418 D419 R424 E425 S426 | A418-E422 PolarHBondContact O-N 3.45Å; D419-E422 PolarHBondContact O-N 3Å; E422-R424 PolarHBondContact O-N 2.92Å; E422-E425 PolarHBondContact O-N 3.3Å; E422-S426 VanDerWaalsContact O-CB 3.3Å; E422-S426 WeakPolarHBondContact O-CB 3.46Å; E422-S426 PolarHBondContact O-N 3.04Å; E422-S426 PolarHBondContact O-OG 3.48Å |
| 423 | L | 43.6 | Very low | 49 | Very low | 126 Ų | 126 | 107 Ų | 107 | 66% | 0.66 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.6 | -34.4 | 173.7 | -139.7 | 87.6 | 0 | 0 | 0 | 111.9 | D419 T427 | D419-L423 WeakPolarHBondContact O-CB 3.4Å; D419-L423 PolarHBondContact O-N 3.08Å; L423-T427 PolarHBondContact O-N 3.27Å; L423-T427 VanDerWaalsContact O-N 3.08Å; L423-T427 PolarHBondContact O-OG1 2.84Å |
| 424 | R | 46.3 | Very low | 50.7 | Low | 149 Ų | 149 | 104.5 Ų | 104.5 | 56% | 0.562 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -74.2 | -45.5 | 178.3 | -175.9 | 179.3 | 168.7 | -172.5 | -4.7 | 112.2 | R420 N421 E422 S426 T427 E428 | R420-R424 WeakPolarHBondContact O-CB 3.33Å; R420-R424 PolarHBondContact O-N 2.93Å; N421-R424 PolarHBondContact O-N 3.44Å; E422-R424 PolarHBondContact O-N 2.92Å; R424-S426 PolarHBondContact O-N 3.36Å; R424-T427 WeakPolarHBondContact CA-OG1 3.48Å; R424-T427 PolarHBondContact O-N 3.26Å; R424-T427 PolarHBondContact O-OG1 3.47Å; R424-T427 VanDerWaalsContact O-OG1 3.06Å; R424-E428 IonicContact CZ-OE1 3.26Å; R424-E428 IonicContact NE-OE1 3.74Å; R424-E428 PolarHBondContact NE-OE1 3.2Å; R424-E428 IonicContact NH2-OE1 3.98Å; R424-E428 PolarHBondContact NH2-OE1 3.16Å; R424-E428 VanDerWaalsContact NH2-OE1 3.15Å; R424-E428 WeakPolarHBondContact O-CB 3.17Å; R424-E428 WeakPolarHBondContact O-CG 3.5Å; R424-E428 PolarHBondContact O-N 2.96Å |
| 425 | E | 49.6 | Very low | 52.9 | Low | 108 Ų | 108 | 106 Ų | 106 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -37.1 | 171.2 | -81.1 | -160.2 | 176.8 | 0 | 0 | 111.6 | N421 E422 E428 K429 | N421-E425 PolarHBondContact O-N 2.91Å; E422-E425 PolarHBondContact O-N 3.3Å; E425-E428 PolarHBondContact O-N 2.9Å; E425-K429 WeakPolarHBondContact O-CB 3.33Å; E425-K429 WeakPolarHBondContact O-CD 3.42Å; E425-K429 WeakPolarHBondContact O-CG 3.4Å; E425-K429 PolarHBondContact O-N 3.15Å; E425-K429 IonicContact OE2-NZ 2.62Å; E425-K429 PolarHBondContact OE2-NZ 3.26Å |
| 426 | S | 54 | Low | 54.3 | Low | 72 Ų | 72 | 106.7 Ų | 106.7 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 178.8 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | E422 R424 Y430 | E422-S426 VanDerWaalsContact O-CB 3.3Å; E422-S426 WeakPolarHBondContact O-CB 3.46Å; E422-S426 PolarHBondContact O-N 3.04Å; E422-S426 PolarHBondContact O-OG 3.48Å; R424-S426 PolarHBondContact O-N 3.36Å; S426-Y430 WeakPolarHBondContact O-CB 3.4Å; S426-Y430 PolarHBondContact O-N 3.41Å; S426-Y430 VanDerWaalsContact O-N 3.08Å |
| 427 | T | 62.7 | Low | 56.4 | Low | 82 Ų | 82 | 103 Ų | 103 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.6 | -37.2 | 173.3 | 29.5 | 0 | 0 | 0 | 0 | 112.5 | L423 R424 Y430 E431 | L423-T427 PolarHBondContact O-N 3.27Å; L423-T427 VanDerWaalsContact O-N 3.08Å; L423-T427 PolarHBondContact O-OG1 2.84Å; R424-T427 WeakPolarHBondContact CA-OG1 3.48Å; R424-T427 PolarHBondContact O-N 3.26Å; R424-T427 PolarHBondContact O-OG1 3.47Å; R424-T427 VanDerWaalsContact O-OG1 3.06Å; T427-Y430 WeakPolarHBondContact O-CB 3.45Å; T427-Y430 PolarHBondContact O-N 3Å; T427-E431 PolarHBondContact O-N 2.96Å |
| 428 | E | 59.8 | Low | 58.3 | Low | 95 Ų | 95 | 103 Ų | 103 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.9 | -40.6 | 174.6 | -71.4 | 175.3 | -171.1 | 0 | 0 | 111.4 | R424 E425 E431 E432 | R424-E428 IonicContact CZ-OE1 3.26Å; R424-E428 IonicContact NE-OE1 3.74Å; R424-E428 PolarHBondContact NE-OE1 3.2Å; R424-E428 IonicContact NH2-OE1 3.98Å; R424-E428 PolarHBondContact NH2-OE1 3.16Å; R424-E428 VanDerWaalsContact NH2-OE1 3.15Å; R424-E428 WeakPolarHBondContact O-CB 3.17Å; R424-E428 WeakPolarHBondContact O-CG 3.5Å; R424-E428 PolarHBondContact O-N 2.96Å; E425-E428 PolarHBondContact O-N 2.9Å; E428-E431 PolarHBondContact O-N 2.87Å; E428-E432 WeakPolarHBondContact O-CB 3.48Å; E428-E432 PolarHBondContact O-N 3.34Å |
| 429 | K | 60 | Low | 60 | Low | 122 Ų | 122 | 107.6 Ų | 107.6 | 53% | 0.53 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 171.6 | -71.9 | 161.9 | -167.6 | 160.8 | 0 | 112.5 | E425 E432 F433 | E425-K429 WeakPolarHBondContact O-CB 3.33Å; E425-K429 WeakPolarHBondContact O-CD 3.42Å; E425-K429 WeakPolarHBondContact O-CG 3.4Å; E425-K429 PolarHBondContact O-N 3.15Å; E425-K429 IonicContact OE2-NZ 2.62Å; E425-K429 PolarHBondContact OE2-NZ 3.26Å; K429-E432 PolarHBondContact O-N 2.98Å; K429-F433 WeakPolarHBondContact O-CB 3.45Å; K429-F433 PolarHBondContact O-N 3.03Å |
| 430 | Y | 66.3 | Low | 61.8 | Low | 85 Ų | 85 | 103.3 Ų | 103.3 | 33% | 0.333 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 175.7 | -174.4 | -86.3 | 0 | 0 | 0 | 112.1 | S426 T427 E432 F433 Y434 V502 | S426-Y430 WeakPolarHBondContact O-CB 3.4Å; S426-Y430 PolarHBondContact O-N 3.41Å; S426-Y430 VanDerWaalsContact O-N 3.08Å; T427-Y430 WeakPolarHBondContact O-CB 3.45Å; T427-Y430 PolarHBondContact O-N 3Å; Y430-E432 VanDerWaalsContact C-N 3.35Å; Y430-E432 PolarHBondContact O-N 3.2Å; Y430-F433 PolarHBondContact O-N 3.31Å; Y430-Y434 HydrophobicContact CD1-CD2 4.04Å; Y430-Y434 HydrophobicContact CD1-CE2 4.27Å; Y430-Y434 AromaticContact CE1-CD2 3.68Å; Y430-Y434 HydrophobicContact CE1-CD2 3.68Å; Y430-Y434 AromaticContact CE1-CE2 3.53Å; Y430-Y434 HydrophobicContact CE1-CE2 3.53Å; Y430-Y434 HydrophobicContact CE1-CG 4.46Å; Y430-Y434 AromaticContact CE2-CE2 3.92Å; Y430-Y434 HydrophobicContact CE2-CE2 3.92Å; Y430-Y434 AromaticContact CZ-CD2 3.95Å; Y430-Y434 AromaticContact CZ-CE2 3.32Å; Y430-Y434 AromaticContact CZ-CZ 3.9Å; Y430-Y434 WeakPolarHBondContact O-CD2 3.48Å; Y430-Y434 PolarHBondContact O-N 3.04Å; Y430-Y434 VanDerWaalsContact O-N 3.08Å; Y430-Y434 WeakPolarHBondContact OH-CE2 3.4Å; Y430-Y434 PolarHBondContact OH-OH 3.41Å; Y430-V502 HydrophobicContact CD2-CG1 3.42Å; Y430-V502 VanDerWaalsContact CD2-CG1 3.42Å; Y430-V502 HydrophobicContact CE2-CG1 3.83Å |
| 431 | E | 65.1 | Low | 63.8 | Low | 101 Ų | 101 | 97.3 Ų | 97.3 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 174.9 | -78.1 | -163.9 | -158.7 | 0 | 0 | 112.1 | T427 E428 Y434 R435 | T427-E431 PolarHBondContact O-N 2.96Å; E428-E431 PolarHBondContact O-N 2.87Å; E431-Y434 PolarHBondContact O-N 3.21Å; E431-R435 VanDerWaalsContact O-CG 3.22Å; E431-R435 WeakPolarHBondContact O-CG 3.22Å; E431-R435 PolarHBondContact O-N 2.97Å; E431-R435 IonicContact OE2-CZ 3.25Å; E431-R435 IonicContact OE2-NE 2.72Å; E431-R435 IonicContact OE2-NH2 2.77Å; E431-R435 PolarHBondContact OE2-NH2 3.43Å |
| 432 | E | 64.2 | Low | 65.5 | Low | 117 Ų | 117 | 98 Ų | 98 | 55% | 0.547 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 179 | -176.3 | 154.4 | -133.9 | 0 | 0 | 112.2 | E428 K429 Y430 Y434 R435 Q436 | E428-E432 WeakPolarHBondContact O-CB 3.48Å; E428-E432 PolarHBondContact O-N 3.34Å; K429-E432 PolarHBondContact O-N 2.98Å; Y430-E432 VanDerWaalsContact C-N 3.35Å; Y430-E432 PolarHBondContact O-N 3.2Å; E432-Y434 PolarHBondContact O-N 3Å; E432-R435 PolarHBondContact O-N 3.41Å; E432-Q436 WeakPolarHBondContact O-CB 3.32Å; E432-Q436 PolarHBondContact O-N 3.16Å |
| 433 | F | 76.1 | Confident | 67.3 | Low | 17 Ų | 17 | 95.7 Ų | 95.7 | 8% | 0.075 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -57.3 | -45.8 | 172.3 | 169.1 | -99.9 | 0 | 0 | 0 | 112.1 | K429 Y430 Q436 R437 M495 L498 G499 | K429-F433 WeakPolarHBondContact O-CB 3.45Å; K429-F433 PolarHBondContact O-N 3.03Å; Y430-F433 PolarHBondContact O-N 3.31Å; F433-Q436 PolarHBondContact O-N 2.99Å; F433-R437 PolarHBondContact O-N 3.25Å; F433-M495 HydrophobicContact CD2-CE 3.64Å; F433-M495 HydrophobicContact CE2-CB 4.14Å; F433-M495 HydrophobicContact CE2-CE 3.51Å; F433-M495 HydrophobicContact CZ-CB 4.44Å; F433-M495 HydrophobicContact CZ-CE 4.32Å; F433-M495 WeakPolarHBondContact CZ-O 3.05Å; F433-L498 HydrophobicContact CD2-CD2 4.14Å; F433-L498 HydrophobicContact CE2-CB 4.06Å; F433-L498 HydrophobicContact CE2-CD2 4.13Å; F433-L498 HydrophobicContact CE2-CG 4.49Å; F433-G499 VanDerWaalsContact CZ-CA 3.42Å |
| 434 | Y | 69.3 | Low | 69.2 | Low | 83 Ų | 83 | 90.6 Ų | 90.6 | 33% | 0.325 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 176.2 | -95.4 | -108.4 | 0 | 0 | 0 | 112.6 | Y430 E431 E432 Q436 R437 L438 | Y430-Y434 HydrophobicContact CD1-CD2 4.04Å; Y430-Y434 HydrophobicContact CD1-CE2 4.27Å; Y430-Y434 AromaticContact CE1-CD2 3.68Å; Y430-Y434 HydrophobicContact CE1-CD2 3.68Å; Y430-Y434 AromaticContact CE1-CE2 3.53Å; Y430-Y434 HydrophobicContact CE1-CE2 3.53Å; Y430-Y434 HydrophobicContact CE1-CG 4.46Å; Y430-Y434 AromaticContact CE2-CE2 3.92Å; Y430-Y434 HydrophobicContact CE2-CE2 3.92Å; Y430-Y434 AromaticContact CZ-CD2 3.95Å; Y430-Y434 AromaticContact CZ-CE2 3.32Å; Y430-Y434 AromaticContact CZ-CZ 3.9Å; Y430-Y434 WeakPolarHBondContact O-CD2 3.48Å; Y430-Y434 PolarHBondContact O-N 3.04Å; Y430-Y434 VanDerWaalsContact O-N 3.08Å; Y430-Y434 WeakPolarHBondContact OH-CE2 3.4Å; Y430-Y434 PolarHBondContact OH-OH 3.41Å; E431-Y434 PolarHBondContact O-N 3.21Å; E432-Y434 PolarHBondContact O-N 3Å; Y434-Q436 VanDerWaalsContact C-N 3.34Å; Y434-R437 PolarHBondContact O-N 3.14Å; Y434-L438 PolarHBondContact O-N 3.34Å |
| 435 | R | 74.3 | Confident | 71.1 | Confident | 140 Ų | 140 | 88.2 Ų | 88.2 | 53% | 0.528 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.6 | -69.5 | 168.5 | -164.9 | -164.1 | 7.5 | 111.4 | E431 E432 L438 R439 | E431-R435 VanDerWaalsContact O-CG 3.22Å; E431-R435 WeakPolarHBondContact O-CG 3.22Å; E431-R435 PolarHBondContact O-N 2.97Å; E431-R435 IonicContact OE2-CZ 3.25Å; E431-R435 IonicContact OE2-NE 2.72Å; E431-R435 IonicContact OE2-NH2 2.77Å; E431-R435 PolarHBondContact OE2-NH2 3.43Å; E432-R435 PolarHBondContact O-N 3.41Å; R435-L438 PolarHBondContact O-N 2.91Å; R435-R439 WeakPolarHBondContact O-CG 3.47Å; R435-R439 PolarHBondContact O-N 3.46Å |
| 436 | Q | 68.2 | Low | 72.8 | Confident | 102 Ų | 102 | 88.9 Ų | 88.9 | 48% | 0.477 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 178 | -174.8 | 168.7 | -9.9 | 0 | 0 | 111.5 | E432 F433 Y434 L438 R439 V440 M495 | E432-Q436 WeakPolarHBondContact O-CB 3.32Å; E432-Q436 PolarHBondContact O-N 3.16Å; F433-Q436 PolarHBondContact O-N 2.99Å; Y434-Q436 VanDerWaalsContact C-N 3.34Å; Q436-L438 PolarHBondContact O-N 3.37Å; Q436-R439 PolarHBondContact O-N 3.36Å; Q436-V440 PolarHBondContact O-N 3.45Å; Q436-V440 VanDerWaalsContact O-N 3.16Å; Q436-M495 HydrophobicContact CB-CE 3.96Å; Q436-M495 HydrophobicContact CG-CE 3.88Å; Q436-M495 HydrophobicContact CG-SD 4.31Å |
| 437 | R | 78.7 | Confident | 74.2 | Confident | 64 Ų | 64 | 87.8 Ų | 87.8 | 24% | 0.242 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 175.4 | -165.7 | 177.8 | 67.5 | -175.4 | -1.5 | 111.7 | F433 Y434 R439 V440 Q441 M495 | F433-R437 PolarHBondContact O-N 3.25Å; Y434-R437 PolarHBondContact O-N 3.14Å; R437-R439 VanDerWaalsContact C-N 3.3Å; R437-R439 PolarHBondContact O-N 2.9Å; R437-V440 PolarHBondContact O-N 3.25Å; R437-Q441 WeakPolarHBondContact O-CB 3.32Å; R437-Q441 PolarHBondContact O-N 2.91Å; R437-M495 HydrophobicContact CB-CE 3.76Å; R437-M495 HydrophobicContact CB-SD 4.14Å; R437-M495 HydrophobicContact CG-CE 4.47Å; R437-M495 HydrophobicContact CG-SD 4.4Å |
| 438 | L | 75.6 | Confident | 75.3 | Confident | 95 Ų | 95 | 86.7 Ų | 86.7 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61 | -37.4 | 178 | -163.9 | 73.1 | 0 | 0 | 0 | 112.4 | Y434 R435 Q436 Q442 | Y434-L438 PolarHBondContact O-N 3.34Å; R435-L438 PolarHBondContact O-N 2.91Å; Q436-L438 PolarHBondContact O-N 3.37Å; L438-Q442 WeakPolarHBondContact O-CB 3.17Å; L438-Q442 VanDerWaalsContact O-CG 3.29Å; L438-Q442 WeakPolarHBondContact O-CG 3.32Å; L438-Q442 PolarHBondContact O-N 3.17Å |
| 439 | R | 77.3 | Confident | 76.6 | Confident | 150 Ų | 150 | 88 Ų | 88 | 57% | 0.566 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.4 | -43.1 | 174.6 | -67.8 | 170.6 | -166.5 | 143.7 | 0.1 | 112.3 | R435 Q436 R437 H443 | R435-R439 WeakPolarHBondContact O-CG 3.47Å; R435-R439 PolarHBondContact O-N 3.46Å; Q436-R439 PolarHBondContact O-N 3.36Å; R437-R439 VanDerWaalsContact C-N 3.3Å; R437-R439 PolarHBondContact O-N 2.9Å; R439-H443 WeakPolarHBondContact O-CB 3.36Å; R439-H443 PolarHBondContact O-N 3.43Å |
| 440 | V | 77.4 | Confident | 77.5 | Confident | 24 Ų | 24 | 86.6 Ų | 86.6 | 15% | 0.145 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | Q436 R437 H443 L444 L491 N492 M495 | Q436-V440 PolarHBondContact O-N 3.45Å; Q436-V440 VanDerWaalsContact O-N 3.16Å; R437-V440 PolarHBondContact O-N 3.25Å; V440-H443 PolarHBondContact O-N 3.26Å; V440-L444 WeakPolarHBondContact O-CB 3.32Å; V440-L444 PolarHBondContact O-N 3.44Å; V440-L491 HydrophobicContact CG1-CB 4.35Å; V440-N492 HydrophobicContact CG1-CB 4.16Å; V440-M495 HydrophobicContact CG2-SD 4.03Å |
| 441 | Q | 80 | Confident | 78.3 | Confident | 86 Ų | 86 | 85.8 Ų | 85.8 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 178.4 | -168.8 | 172.2 | 13.5 | 0 | 0 | 112.5 | R437 H443 L444 E445 | R437-Q441 WeakPolarHBondContact O-CB 3.32Å; R437-Q441 PolarHBondContact O-N 2.91Å; Q441-H443 VanDerWaalsContact C-N 3.33Å; Q441-H443 PolarHBondContact O-N 3.3Å; Q441-L444 WeakPolarHBondContact O-CB 3.33Å; Q441-L444 PolarHBondContact O-N 3.41Å; Q441-E445 PolarHBondContact O-N 3.2Å |
| 442 | Q | 81.7 | Confident | 79.2 | Confident | 114 Ų | 114 | 87 Ų | 87 | 53% | 0.533 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 175.4 | -75.6 | 175.7 | -3.6 | 0 | 0 | 112.6 | L438 Q446 | L438-Q442 WeakPolarHBondContact O-CB 3.17Å; L438-Q442 VanDerWaalsContact O-CG 3.29Å; L438-Q442 WeakPolarHBondContact O-CG 3.32Å; L438-Q442 PolarHBondContact O-N 3.17Å; Q442-Q446 WeakPolarHBondContact O-CB 3.04Å; Q442-Q446 PolarHBondContact O-N 3.16Å |
| 443 | H | 83.6 | Confident | 80 | Confident | 78 Ų | 78 | 87.9 Ų | 87.9 | 36% | 0.361 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.7 | -35.3 | 177.9 | -172.4 | -148.8 | 0 | 0 | 0 | 112 | R439 V440 Q441 Q446 K447 L488 | R439-H443 WeakPolarHBondContact O-CB 3.36Å; R439-H443 PolarHBondContact O-N 3.43Å; V440-H443 PolarHBondContact O-N 3.26Å; Q441-H443 VanDerWaalsContact C-N 3.33Å; Q441-H443 PolarHBondContact O-N 3.3Å; H443-Q446 PolarHBondContact O-N 3.03Å; H443-K447 WeakPolarHBondContact O-CG 3.24Å; H443-K447 PolarHBondContact O-N 3.44Å; H443-L488 WeakPolarHBondContact ND1-CD2 3.43Å |
| 444 | L | 83.8 | Confident | 80.1 | Confident | 18 Ų | 18 | 89.4 Ų | 89.4 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.3 | -50.3 | 172.4 | 176.8 | 57.7 | 0 | 0 | 0 | 111.4 | V440 Q441 Q446 K447 Q448 I485 L488 E489 | V440-L444 WeakPolarHBondContact O-CB 3.32Å; V440-L444 PolarHBondContact O-N 3.44Å; Q441-L444 WeakPolarHBondContact O-CB 3.33Å; Q441-L444 PolarHBondContact O-N 3.41Å; L444-Q446 VanDerWaalsContact C-N 3.33Å; L444-Q446 PolarHBondContact O-N 2.76Å; L444-K447 PolarHBondContact O-N 3.31Å; L444-K447 VanDerWaalsContact O-N 3.15Å; L444-Q448 HydrophobicContact CD1-CG 4.21Å; L444-Q448 WeakPolarHBondContact O-CG 3.07Å; L444-Q448 PolarHBondContact O-N 2.77Å; L444-I485 HydrophobicContact CD1-CB 4.43Å; L444-I485 HydrophobicContact CD1-CG2 3.85Å; L444-L488 HydrophobicContact CB-CB 4.18Å; L444-L488 HydrophobicContact CD1-CB 3.98Å; L444-E489 HydrophobicContact CD1-CG 3.72Å; L444-E489 HydrophobicContact CD2-CG 3.73Å; L444-E489 HydrophobicContact CG-CG 4.39Å |
| 445 | E | 86.5 | Confident | 80.4 | Confident | 99 Ų | 99 | 89 Ų | 89 | 46% | 0.463 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 175.2 | -74.7 | -178.5 | 175.8 | 0 | 0 | 111.7 | Q441 K447 Q448 Q449 | Q441-E445 PolarHBondContact O-N 3.2Å; E445-K447 VanDerWaalsContact C-N 3.29Å; E445-K447 PolarHBondContact O-N 3.16Å; E445-Q448 PolarHBondContact O-N 2.88Å; E445-Q449 WeakPolarHBondContact O-CG 3.46Å; E445-Q449 PolarHBondContact O-N 3.11Å |
| 446 | Q | 85.1 | Confident | 80.6 | Confident | 122 Ų | 122 | 87.6 Ų | 87.6 | 57% | 0.57 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -59.4 | -39.8 | 177.6 | -169.1 | -176.9 | 27.6 | 0 | 0 | 112 | Q442 H443 L444 Q450 | Q442-Q446 WeakPolarHBondContact O-CB 3.04Å; Q442-Q446 PolarHBondContact O-N 3.16Å; H443-Q446 PolarHBondContact O-N 3.03Å; L444-Q446 VanDerWaalsContact C-N 3.33Å; L444-Q446 PolarHBondContact O-N 2.76Å; Q446-Q450 WeakPolarHBondContact O-CB 3.43Å; Q446-Q450 PolarHBondContact O-N 2.9Å |
| 447 | K | 83.1 | Confident | 80.9 | Confident | 49 Ų | 49 | 88.6 Ų | 88.6 | 21% | 0.213 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -72.1 | -37.1 | 176.6 | -70.3 | -67.1 | 172.4 | -167.5 | 0 | 112.8 | H443 L444 E445 Q450 R451 I485 L488 | H443-K447 WeakPolarHBondContact O-CG 3.24Å; H443-K447 PolarHBondContact O-N 3.44Å; L444-K447 PolarHBondContact O-N 3.31Å; L444-K447 VanDerWaalsContact O-N 3.15Å; E445-K447 VanDerWaalsContact C-N 3.29Å; E445-K447 PolarHBondContact O-N 3.16Å; K447-Q450 PolarHBondContact O-N 3.3Å; K447-R451 PolarHBondContact O-N 2.92Å; K447-I485 HydrophobicContact CB-CD1 4.4Å; K447-I485 HydrophobicContact CB-CG1 3.69Å; K447-L488 HydrophobicContact CB-CD1 4.47Å; K447-L488 HydrophobicContact CG-CD1 3.94Å |
| 448 | Q | 85.3 | Confident | 80.5 | Confident | 60 Ų | 60 | 88.7 Ų | 88.7 | 28% | 0.28 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 173.8 | -70.5 | 179.6 | -3.2 | 0 | 0 | 111.8 | L444 E445 R451 Q452 I485 E489 | L444-Q448 HydrophobicContact CD1-CG 4.21Å; L444-Q448 WeakPolarHBondContact O-CG 3.07Å; L444-Q448 PolarHBondContact O-N 2.77Å; E445-Q448 PolarHBondContact O-N 2.88Å; Q448-R451 WeakPolarHBondContact O-CB 3Å; Q448-R451 PolarHBondContact O-N 3.02Å; Q448-Q452 WeakPolarHBondContact O-CG 3.31Å; Q448-Q452 PolarHBondContact O-N 2.98Å; Q448-I485 HydrophobicContact CG-CD1 4.2Å; Q448-I485 HydrophobicContact CG-CG1 4.36Å; Q448-I485 HydrophobicContact CG-CG2 4.18Å; Q448-E489 PolarHBondContact NE2-OE1 2.86Å; Q448-E489 VanDerWaalsContact NE2-OE1 3.14Å |
| 449 | Q | 86.5 | Confident | 80.1 | Confident | 121 Ų | 121 | 90.3 Ų | 90.3 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 171.8 | -71 | 175 | 11.2 | 0 | 0 | 111.9 | E445 R451 Q452 M453 | E445-Q449 WeakPolarHBondContact O-CG 3.46Å; E445-Q449 PolarHBondContact O-N 3.11Å; Q449-R451 PolarHBondContact O-N 3.21Å; Q449-Q452 PolarHBondContact O-N 3.49Å; Q449-M453 PolarHBondContact O-N 3.15Å |
| 450 | Q | 79 | Confident | 79.8 | Confident | 94 Ų | 94 | 89.9 Ų | 89.9 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.5 | -34.3 | 176.2 | -161.8 | 178.7 | 15.7 | 0 | 0 | 111.7 | Q446 K447 Y454 L481 | Q446-Q450 WeakPolarHBondContact O-CB 3.43Å; Q446-Q450 PolarHBondContact O-N 2.9Å; K447-Q450 PolarHBondContact O-N 3.3Å; Q450-Y454 WeakPolarHBondContact O-CB 3.45Å; Q450-Y454 PolarHBondContact O-N 3.17Å; Q450-Y454 VanDerWaalsContact O-N 3.14Å; Q450-L481 VanDerWaalsContact C-CD2 3.49Å; Q450-L481 HydrophobicContact CB-CD2 3.87Å; Q450-L481 HydrophobicContact CG-CD2 3.96Å |
| 451 | R | 84.5 | Confident | 79.2 | Confident | 68 Ų | 68 | 91.7 Ų | 91.7 | 26% | 0.257 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.6 | -47.2 | 173.6 | -176.4 | 179.5 | 65.2 | -161 | -3.5 | 111.8 | K447 Q448 Q449 M453 Y454 Q455 L481 N482 I485 | K447-R451 PolarHBondContact O-N 2.92Å; Q448-R451 WeakPolarHBondContact O-CB 3Å; Q448-R451 PolarHBondContact O-N 3.02Å; Q449-R451 PolarHBondContact O-N 3.21Å; R451-M453 VanDerWaalsContact C-N 3.35Å; R451-M453 PolarHBondContact O-N 3.1Å; R451-Y454 PolarHBondContact O-N 3.45Å; R451-Y454 VanDerWaalsContact O-N 3.16Å; R451-Q455 PolarHBondContact O-N 3.45Å; R451-L481 VanDerWaalsContact CA-CD2 3.48Å; R451-L481 HydrophobicContact CB-CD2 3.82Å; R451-L481 VanDerWaalsContact N-CD2 3.28Å; R451-N482 WeakPolarHBondContact CD-OD1 3.35Å; R451-N482 PolarHBondContact NH1-OD1 3.36Å; R451-I485 HydrophobicContact CB-CD1 4.08Å |
| 452 | Q | 83.6 | Confident | 77.9 | Confident | 127 Ų | 127 | 90.7 Ų | 90.7 | 59% | 0.593 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -58.9 | -45.3 | 178.6 | -72.1 | 172.5 | -8.5 | 0 | 0 | 111.7 | Q448 Q449 Y454 Q455 Q456 | Q448-Q452 WeakPolarHBondContact O-CG 3.31Å; Q448-Q452 PolarHBondContact O-N 2.98Å; Q449-Q452 PolarHBondContact O-N 3.49Å; Q452-Y454 VanDerWaalsContact C-N 3.33Å; Q452-Y454 PolarHBondContact O-N 3.07Å; Q452-Q455 WeakPolarHBondContact O-CB 3.42Å; Q452-Q455 PolarHBondContact O-N 2.88Å; Q452-Q456 WeakPolarHBondContact O-CB 3.47Å; Q452-Q456 PolarHBondContact O-N 3.16Å |
| 453 | M | 81.1 | Confident | 76.3 | Confident | 135 Ų | 135 | 89.9 Ų | 89.9 | 67% | 0.665 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.2 | -38.6 | 175.8 | -173.7 | -176.8 | -70.2 | 0 | 0 | 112.3 | Q449 R451 Q456 M457 | Q449-M453 PolarHBondContact O-N 3.15Å; R451-M453 VanDerWaalsContact C-N 3.35Å; R451-M453 PolarHBondContact O-N 3.1Å; M453-Q456 PolarHBondContact O-N 3.14Å; M453-M457 PolarHBondContact O-N 3.42Å |
| 454 | Y | 78.1 | Confident | 74.4 | Confident | 48 Ų | 48 | 94.9 Ų | 94.9 | 19% | 0.188 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 174.9 | -174.9 | -110.8 | 0 | 0 | 0 | 112.2 | Q450 R451 Q452 Q456 M457 L458 S475 T477 E478 | Q450-Y454 WeakPolarHBondContact O-CB 3.45Å; Q450-Y454 PolarHBondContact O-N 3.17Å; Q450-Y454 VanDerWaalsContact O-N 3.14Å; R451-Y454 PolarHBondContact O-N 3.45Å; R451-Y454 VanDerWaalsContact O-N 3.16Å; Q452-Y454 VanDerWaalsContact C-N 3.33Å; Q452-Y454 PolarHBondContact O-N 3.07Å; Y454-Q456 VanDerWaalsContact C-N 3.31Å; Y454-Q456 PolarHBondContact O-N 3.39Å; Y454-M457 PolarHBondContact O-N 2.98Å; Y454-L458 HydrophobicContact CD1-CD1 4.02Å; Y454-L458 HydrophobicContact CE1-CD1 3.61Å; Y454-L458 HydrophobicContact CE1-CG 4.3Å; Y454-L458 WeakPolarHBondContact O-CG 3.31Å; Y454-L458 PolarHBondContact O-N 3.07Å; Y454-L458 VanDerWaalsContact O-N 3.11Å; Y454-S475 WeakPolarHBondContact OH-CB 3.32Å; Y454-S475 PolarHBondContact OH-OG 3.15Å; Y454-T477 HydrophobicContact CD2-CG2 4.24Å; Y454-T477 HydrophobicContact CE1-CG2 4.34Å; Y454-T477 HydrophobicContact CE2-CG2 4.02Å; Y454-E478 HydrophobicContact CD1-CB 4.43Å; Y454-E478 HydrophobicContact CE1-CB 4.07Å |
| 455 | Q | 75.2 | Confident | 72.7 | Confident | 76 Ų | 76 | 102.5 Ų | 102.5 | 36% | 0.355 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 174 | -141.6 | 97.5 | 50.4 | 0 | 0 | 111.3 | R451 Q452 L458 L459 E478 | R451-Q455 PolarHBondContact O-N 3.45Å; Q452-Q455 WeakPolarHBondContact O-CB 3.42Å; Q452-Q455 PolarHBondContact O-N 2.88Å; Q455-L458 PolarHBondContact O-N 2.9Å; Q455-L459 WeakPolarHBondContact O-CG 3.48Å; Q455-L459 PolarHBondContact O-N 3.15Å; Q455-L459 VanDerWaalsContact O-N 3.15Å; Q455-E478 PolarHBondContact NE2-OE1 3.34Å |
| 456 | Q | 79.2 | Confident | 70.4 | Confident | 109 Ų | 109 | 104.5 Ų | 104.5 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 178 | -174.7 | 172.8 | -9.1 | 0 | 0 | 112 | Q452 M453 Y454 L458 L459 E460 | Q452-Q456 WeakPolarHBondContact O-CB 3.47Å; Q452-Q456 PolarHBondContact O-N 3.16Å; M453-Q456 PolarHBondContact O-N 3.14Å; Y454-Q456 VanDerWaalsContact C-N 3.31Å; Y454-Q456 PolarHBondContact O-N 3.39Å; Q456-L458 VanDerWaalsContact C-N 3.29Å; Q456-L458 PolarHBondContact O-N 3.49Å; Q456-L459 PolarHBondContact O-N 3.21Å; Q456-L459 VanDerWaalsContact O-N 3.17Å; Q456-E460 HydrophobicContact CG-CG 4.42Å; Q456-E460 WeakPolarHBondContact CG-OE1 3.39Å; Q456-E460 PolarHBondContact NE2-OE1 3.45Å; Q456-E460 WeakPolarHBondContact O-CG 3.27Å; Q456-E460 PolarHBondContact O-N 3.37Å |
| 457 | M | 72.7 | Confident | 68.8 | Low | 124 Ų | 124 | 104.6 Ų | 104.6 | 61% | 0.611 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.1 | -36.3 | 172.4 | -82.6 | -140.5 | -53.9 | 0 | 0 | 113.1 | M453 Y454 L459 G461 | M453-M457 PolarHBondContact O-N 3.42Å; Y454-M457 PolarHBondContact O-N 2.98Å; M457-L459 VanDerWaalsContact C-N 3.33Å; M457-G461 PolarHBondContact O-N 3.29Å |
| 458 | L | 71.4 | Confident | 66.6 | Low | 65 Ų | 65 | 107.3 Ų | 107.3 | 34% | 0.34 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.6 | -35.2 | 176.5 | -71.8 | 170.5 | 0 | 0 | 0 | 112.2 | Y454 Q455 Q456 | Y454-L458 HydrophobicContact CD1-CD1 4.02Å; Y454-L458 HydrophobicContact CE1-CD1 3.61Å; Y454-L458 HydrophobicContact CE1-CG 4.3Å; Y454-L458 WeakPolarHBondContact O-CG 3.31Å; Y454-L458 PolarHBondContact O-N 3.07Å; Y454-L458 VanDerWaalsContact O-N 3.11Å; Q455-L458 PolarHBondContact O-N 2.9Å; Q456-L458 VanDerWaalsContact C-N 3.29Å; Q456-L458 PolarHBondContact O-N 3.49Å |
| 459 | L | 66.9 | Low | 64.5 | Low | 129 Ų | 129 | 110 Ų | 110 | 68% | 0.675 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.1 | -44.3 | 175.1 | -71.4 | 162.7 | 0 | 0 | 0 | 112 | Q455 Q456 M457 G461 G462 | Q455-L459 WeakPolarHBondContact O-CG 3.48Å; Q455-L459 PolarHBondContact O-N 3.15Å; Q455-L459 VanDerWaalsContact O-N 3.15Å; Q456-L459 PolarHBondContact O-N 3.21Å; Q456-L459 VanDerWaalsContact O-N 3.17Å; M457-L459 VanDerWaalsContact C-N 3.33Å; L459-G461 VanDerWaalsContact C-N 3.27Å; L459-G461 PolarHBondContact O-N 2.99Å; L459-G462 PolarHBondContact O-N 3.16Å |
| 460 | E | 71.5 | Confident | 62.6 | Low | 141 Ų | 141 | 110.1 Ų | 110.1 | 66% | 0.659 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70 | -24.1 | 177.8 | -70.1 | 175.4 | -169.8 | 0 | 0 | 112.5 | Q456 G462 | Q456-E460 HydrophobicContact CG-CG 4.42Å; Q456-E460 WeakPolarHBondContact CG-OE1 3.39Å; Q456-E460 PolarHBondContact NE2-OE1 3.45Å; Q456-E460 WeakPolarHBondContact O-CG 3.27Å; Q456-E460 PolarHBondContact O-N 3.37Å; E460-G462 PolarHBondContact O-N 2.94Å |
| 461 | G | 65.1 | Low | 61 | Low | 62 Ų | 62 | 112.6 Ų | 112.6 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 4.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116 | M457 L459 | M457-G461 PolarHBondContact O-N 3.29Å; L459-G461 VanDerWaalsContact C-N 3.27Å; L459-G461 PolarHBondContact O-N 2.99Å |
| 462 | G | 51.3 | Low | 58.9 | Low | 65 Ų | 65 | 116.8 Ų | 116.8 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.5 | 18.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | L459 E460 Q464 | L459-G462 PolarHBondContact O-N 3.16Å; E460-G462 PolarHBondContact O-N 2.94Å; G462-Q464 PolarHBondContact O-N 3.35Å |
| 463 | V | 49.2 | Very low | 57.2 | Low | 97 Ų | 97 | 117.5 Ų | 117.5 | 59% | 0.588 | 65% | 0.651 | S | S | * | * | trans | -82.6 | 90.5 | 174.4 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | Q465 | V463-Q465 PolarHBondContact O-N 3.03Š| ||
| 464 | Q | 43.3 | Very low | 55.8 | Low | 184 Ų | 184 | 116.7 Ų | 116.7 | 86% | 0.86 | 65% | 0.645 | S | S | * | * | trans | -65.7 | 124 | 165.6 | -79.6 | 179.3 | -32.8 | 0 | 0 | 109.7 | G462 D466 | G462-Q464 PolarHBondContact O-N 3.35Å; Q464-D466 PolarHBondContact O-N 2.69Å | ||
| 465 | Q | 48.9 | Very low | 54.9 | Low | 178 Ų | 178 | 116.4 Ų | 116.4 | 83% | 0.832 | 65% | 0.651 | S | S | * | * | trans | -84.7 | 88.9 | 173.6 | -69 | -175.1 | -3.7 | 0 | 0 | 110.3 | V463 | V463-Q465 PolarHBondContact O-N 3.03Š| ||
| 466 | D | 37.6 | Very low | 54.3 | Low | 140 Ų | 140 | 117.5 Ų | 117.5 | 75% | 0.749 | 66% | 0.658 | S | S | * | * | trans | -74.8 | 136.4 | 148.4 | -82.4 | -38.2 | 0 | 0 | 0 | 108.1 | Q464 P468 | Q464-D466 PolarHBondContact O-N 2.69Å; D466-P468 WeakPolarHBondContact O-CD 3.29Å | ||
| 467 | P | 51 | Low | 53.8 | Low | 124 Ų | 124 | 115.4 Ų | 115.4 | 81% | 0.805 | 65% | 0.653 | S | S | * | * | trans | -81.2 | 113.3 | -169.1 | 30.2 | -34.2 | 0 | 0 | 0 | 113.1 | ||||
| 468 | P | 37.6 | Very low | 53.7 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 70% | 0.695 | 63% | 0.628 | S | S | * | * | trans | -96.6 | 169.2 | 173.4 | 3.5 | 21.8 | 0 | 0 | 0 | 110.5 | D466 | D466-P468 WeakPolarHBondContact O-CD 3.29Š| ||
| 469 | P | 40.5 | Very low | 53.8 | Low | 115 Ų | 115 | 112 Ų | 112 | 75% | 0.747 | 63% | 0.632 | S | S | * | * | trans | -67.1 | 160.8 | -169.9 | 27.2 | -35.2 | 0 | 0 | 0 | 114.3 | D471 | P469-D471 PolarHBondContact O-N 2.77Š| ||
| 470 | S | 47.7 | Very low | 54.2 | Low | 124 Ų | 124 | 110.5 Ų | 110.5 | 87% | 0.867 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 20.3 | -158.3 | 55.3 | 0 | 0 | 0 | 0 | 118.7 | ||
| 471 | D | 45.3 | Very low | 54.4 | Low | 146 Ų | 146 | 104.7 Ų | 104.7 | 78% | 0.781 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.2 | 26.9 | -174 | -103.5 | -45.6 | 0 | 0 | 0 | 115.2 | P469 | P469-D471 PolarHBondContact O-N 2.77Š|
| 472 | M | 40.1 | Very low | 55.1 | Low | 156 Ų | 156 | 104.4 Ų | 104.4 | 77% | 0.768 | 58% | 0.577 | S | S | * | * | trans | -106.7 | 101.5 | 169.9 | -83.9 | -75.7 | 94.3 | 0 | 0 | 113.9 | H474 | M472-H474 PolarHBondContact O-N 2.97Š| ||
| 473 | Q | 46.6 | Very low | 56.4 | Low | 142 Ų | 142 | 109.5 Ų | 109.5 | 66% | 0.664 | 58% | 0.576 | S | S | * | * | trans | -15 | 112.6 | 169.7 | -59.8 | 171.7 | 8.9 | 0 | 0 | 117.5 | ||||
| 474 | H | 52.4 | Low | 57.5 | Low | 118 Ų | 118 | 107.1 Ų | 107.1 | 55% | 0.546 | 56% | 0.564 | S | S | . | * | trans | -44.2 | 141.5 | 150.3 | -70.5 | -90.6 | 0 | 0 | 0 | 111.2 | M472 E478 K479 | M472-H474 PolarHBondContact O-N 2.97Å; H474-E478 WeakPolarHBondContact CB-OE2 3.36Å; H474-E478 IonicContact CE1-OE2 3.2Å; H474-E478 IonicContact CG-OE2 2.7Å; H474-E478 IonicContact ND1-OE1 2.78Å; H474-E478 IonicContact ND1-OE2 3.59Å; H474-E478 PolarHBondContact ND1-OE2 3.34Å; H474-K479 HydrophobicContact CB-CD 4.41Å; H474-K479 HydrophobicContact CB-CG 3.92Å; H474-K479 VanDerWaalsContact O-CE 3.27Å; H474-K479 WeakPolarHBondContact O-CE 3.37Å | ||
| 475 | S | 60.3 | Low | 59.4 | Low | 43 Ų | 43 | 98.5 Ų | 98.5 | 30% | 0.301 | 52% | 0.524 | S | S | . | . | trans | -46.9 | 139.3 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | Y454 T477 E478 K479 | Y454-S475 WeakPolarHBondContact OH-CB 3.32Å; Y454-S475 PolarHBondContact OH-OG 3.15Å; S475-T477 PolarHBondContact O-N 3.13Å; S475-T477 VanDerWaalsContact O-N 3.16Å; S475-T477 PolarHBondContact OG-N 3.3Å; S475-E478 WeakPolarHBondContact O-CB 3.32Å; S475-E478 PolarHBondContact O-N 2.93Å; S475-K479 PolarHBondContact O-N 3.17Å | ||
| 476 | L | 61.1 | Low | 60.9 | Low | 98 Ų | 98 | 95.1 Ų | 95.1 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -51.8 | -40.5 | 177.4 | -75.9 | 166.7 | 0 | 0 | 0 | 111.2 | E478 K479 F480 | L476-E478 PolarHBondContact O-N 3.02Å; L476-K479 PolarHBondContact O-N 3.28Å; L476-F480 HydrophobicContact CB-CD2 4.47Å; L476-F480 HydrophobicContact CB-CE2 4.44Å; L476-F480 WeakPolarHBondContact O-CD2 3.4Å; L476-F480 PolarHBondContact O-N 2.71Å |
| 477 | T | 68.6 | Low | 62.9 | Low | 65 Ų | 65 | 94.1 Ų | 94.1 | 40% | 0.399 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 177.5 | -48.9 | 0 | 0 | 0 | 0 | 112.6 | Y454 S475 F480 L481 | Y454-T477 HydrophobicContact CD2-CG2 4.24Å; Y454-T477 HydrophobicContact CE1-CG2 4.34Å; Y454-T477 HydrophobicContact CE2-CG2 4.02Å; S475-T477 PolarHBondContact O-N 3.13Å; S475-T477 VanDerWaalsContact O-N 3.16Å; S475-T477 PolarHBondContact OG-N 3.3Å; T477-F480 PolarHBondContact O-N 3.09Å; T477-L481 HydrophobicContact CG2-CD1 4.21Å; T477-L481 WeakPolarHBondContact O-CD1 3.41Å; T477-L481 PolarHBondContact O-N 3.41Å |
| 478 | E | 72.3 | Confident | 64.1 | Low | 19 Ų | 19 | 89.1 Ų | 89.1 | 9% | 0.089 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 177.1 | -168.4 | 177.3 | -155.3 | 0 | 0 | 111.2 | Y454 Q455 H474 S475 L476 L481 N482 | Y454-E478 HydrophobicContact CD1-CB 4.43Å; Y454-E478 HydrophobicContact CE1-CB 4.07Å; Q455-E478 PolarHBondContact NE2-OE1 3.34Å; H474-E478 WeakPolarHBondContact CB-OE2 3.36Å; H474-E478 IonicContact CE1-OE2 3.2Å; H474-E478 IonicContact CG-OE2 2.7Å; H474-E478 IonicContact ND1-OE1 2.78Å; H474-E478 IonicContact ND1-OE2 3.59Å; H474-E478 PolarHBondContact ND1-OE2 3.34Å; S475-E478 WeakPolarHBondContact O-CB 3.32Å; S475-E478 PolarHBondContact O-N 2.93Å; L476-E478 PolarHBondContact O-N 3.02Å; E478-L481 PolarHBondContact O-N 3.06Å; E478-N482 WeakPolarHBondContact O-CB 3.11Å; E478-N482 PolarHBondContact O-N 3.02Å; E478-N482 PolarHBondContact O-ND2 2.99Å |
| 479 | K | 73.3 | Confident | 66 | Low | 98 Ų | 98 | 87.6 Ų | 87.6 | 43% | 0.426 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 174.9 | -67.4 | -173.8 | 177 | -174.6 | 0 | 112.3 | H474 S475 L476 R483 | H474-K479 HydrophobicContact CB-CD 4.41Å; H474-K479 HydrophobicContact CB-CG 3.92Å; H474-K479 VanDerWaalsContact O-CE 3.27Å; H474-K479 WeakPolarHBondContact O-CE 3.37Å; S475-K479 PolarHBondContact O-N 3.17Å; L476-K479 PolarHBondContact O-N 3.28Å; K479-R483 WeakPolarHBondContact O-CB 3.34Å; K479-R483 PolarHBondContact O-N 3.26Å |
| 480 | F | 75.5 | Confident | 67.8 | Low | 99 Ų | 99 | 87.2 Ų | 87.2 | 43% | 0.434 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 175.6 | -82.5 | -63.4 | 0 | 0 | 0 | 112.3 | L476 T477 S484 | L476-F480 HydrophobicContact CB-CD2 4.47Å; L476-F480 HydrophobicContact CB-CE2 4.44Å; L476-F480 WeakPolarHBondContact O-CD2 3.4Å; L476-F480 PolarHBondContact O-N 2.71Å; T477-F480 PolarHBondContact O-N 3.09Å; F480-S484 WeakPolarHBondContact O-CB 3.48Å; F480-S484 PolarHBondContact O-N 3.31Å; F480-S484 VanDerWaalsContact O-N 3.09Å; F480-S484 PolarHBondContact O-OG 2.99Å |
| 481 | L | 75.8 | Confident | 68.9 | Low | 18 Ų | 18 | 86.4 Ų | 86.4 | 9% | 0.094 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.6 | -48.6 | 175.6 | -96.4 | 78.3 | 0 | 0 | 0 | 111.7 | Q450 R451 T477 E478 R483 S484 I485 | Q450-L481 VanDerWaalsContact C-CD2 3.49Å; Q450-L481 HydrophobicContact CB-CD2 3.87Å; Q450-L481 HydrophobicContact CG-CD2 3.96Å; R451-L481 VanDerWaalsContact CA-CD2 3.48Å; R451-L481 HydrophobicContact CB-CD2 3.82Å; R451-L481 VanDerWaalsContact N-CD2 3.28Å; T477-L481 HydrophobicContact CG2-CD1 4.21Å; T477-L481 WeakPolarHBondContact O-CD1 3.41Å; T477-L481 PolarHBondContact O-N 3.41Å; E478-L481 PolarHBondContact O-N 3.06Å; L481-R483 VanDerWaalsContact C-N 3.34Å; L481-R483 PolarHBondContact O-N 3.4Å; L481-S484 WeakPolarHBondContact O-CB 3.37Å; L481-S484 PolarHBondContact O-N 3.02Å; L481-I485 WeakPolarHBondContact O-CB 3.47Å; L481-I485 VanDerWaalsContact O-CG1 3.29Å; L481-I485 WeakPolarHBondContact O-CG1 3.38Å; L481-I485 PolarHBondContact O-N 3.4Å |
| 482 | N | 78.1 | Confident | 70.4 | Confident | 56 Ų | 56 | 80.7 Ų | 80.7 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 179.3 | -76.2 | -27.7 | 0 | 0 | 0 | 112.4 | R451 E478 S484 I485 Q486 | R451-N482 WeakPolarHBondContact CD-OD1 3.35Å; R451-N482 PolarHBondContact NH1-OD1 3.36Å; E478-N482 WeakPolarHBondContact O-CB 3.11Å; E478-N482 PolarHBondContact O-N 3.02Å; E478-N482 PolarHBondContact O-ND2 2.99Å; N482-S484 VanDerWaalsContact C-N 3.3Å; N482-S484 PolarHBondContact O-N 3.49Å; N482-I485 PolarHBondContact O-N 3.16Å; N482-Q486 WeakPolarHBondContact O-CB 3.38Å; N482-Q486 PolarHBondContact O-N 3Å |
| 483 | R | 78.9 | Confident | 71.7 | Confident | 172 Ų | 172 | 76.9 Ų | 76.9 | 65% | 0.649 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.9 | -30 | 174.5 | -166.2 | 178.6 | -170.3 | -168.1 | 3.4 | 113.1 | K479 L481 K487 | K479-R483 WeakPolarHBondContact O-CB 3.34Å; K479-R483 PolarHBondContact O-N 3.26Å; L481-R483 VanDerWaalsContact C-N 3.34Å; L481-R483 PolarHBondContact O-N 3.4Å; R483-K487 WeakPolarHBondContact O-CG 3.4Å; R483-K487 PolarHBondContact O-N 2.88Å |
| 484 | S | 72.3 | Confident | 72.6 | Confident | 48 Ų | 48 | 72 Ų | 72 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -75.6 | -41.1 | 176.4 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | F480 L481 N482 L488 | F480-S484 WeakPolarHBondContact O-CB 3.48Å; F480-S484 PolarHBondContact O-N 3.31Å; F480-S484 VanDerWaalsContact O-N 3.09Å; F480-S484 PolarHBondContact O-OG 2.99Å; L481-S484 WeakPolarHBondContact O-CB 3.37Å; L481-S484 PolarHBondContact O-N 3.02Å; N482-S484 VanDerWaalsContact C-N 3.3Å; N482-S484 PolarHBondContact O-N 3.49Å; S484-L488 WeakPolarHBondContact O-CG 3.22Å; S484-L488 PolarHBondContact O-N 2.91Å; S484-L488 VanDerWaalsContact O-N 3.14Å |
| 485 | I | 83.8 | Confident | 73 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.015 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.5 | -50.9 | 174.3 | -71.4 | 167.1 | 0 | 0 | 0 | 109.6 | L444 K447 Q448 R451 L481 N482 K487 L488 E489 | L444-I485 HydrophobicContact CD1-CB 4.43Å; L444-I485 HydrophobicContact CD1-CG2 3.85Å; K447-I485 HydrophobicContact CB-CD1 4.4Å; K447-I485 HydrophobicContact CB-CG1 3.69Å; Q448-I485 HydrophobicContact CG-CD1 4.2Å; Q448-I485 HydrophobicContact CG-CG1 4.36Å; Q448-I485 HydrophobicContact CG-CG2 4.18Å; R451-I485 HydrophobicContact CB-CD1 4.08Å; L481-I485 WeakPolarHBondContact O-CB 3.47Å; L481-I485 VanDerWaalsContact O-CG1 3.29Å; L481-I485 WeakPolarHBondContact O-CG1 3.38Å; L481-I485 PolarHBondContact O-N 3.4Å; N482-I485 PolarHBondContact O-N 3.16Å; I485-K487 VanDerWaalsContact C-N 3.34Å; I485-K487 PolarHBondContact O-N 3.34Å; I485-L488 CarbonylContact O-C 3.59Å; I485-L488 WeakPolarHBondContact O-CA 3.4Å; I485-L488 PolarHBondContact O-N 3.03Å; I485-E489 HydrophobicContact CG2-CG 4.46Å; I485-E489 WeakPolarHBondContact CG2-OE1 3.49Å; I485-E489 WeakPolarHBondContact O-CG 3.48Å; I485-E489 PolarHBondContact O-N 2.84Å |
| 486 | Q | 80.3 | Confident | 73 | Confident | 106 Ų | 106 | 69.7 Ų | 69.7 | 50% | 0.495 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 178.4 | -175.3 | -178.8 | -6.8 | 0 | 0 | 112.6 | N482 L488 E489 E490 | N482-Q486 WeakPolarHBondContact O-CB 3.38Å; N482-Q486 PolarHBondContact O-N 3Å; Q486-L488 VanDerWaalsContact C-N 3.32Å; Q486-L488 PolarHBondContact O-N 3.45Å; Q486-E489 PolarHBondContact O-N 3.28Å; Q486-E490 WeakPolarHBondContact CG-OE1 3.42Å; Q486-E490 PolarHBondContact NE2-OE1 3.14Å; Q486-E490 VanDerWaalsContact NE2-OE1 3.11Å; Q486-E490 WeakPolarHBondContact O-CB 3.29Å; Q486-E490 VanDerWaalsContact O-CG 3.31Å; Q486-E490 WeakPolarHBondContact O-CG 3.33Å; Q486-E490 PolarHBondContact O-N 3.42Å |
| 487 | K | 79.2 | Confident | 73.1 | Confident | 119 Ų | 119 | 70.2 Ų | 70.2 | 52% | 0.517 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65 | -32.6 | 175.2 | -81.2 | -169 | 168.8 | -159 | 0 | 113.6 | R483 I485 L491 | R483-K487 WeakPolarHBondContact O-CG 3.4Å; R483-K487 PolarHBondContact O-N 2.88Å; I485-K487 VanDerWaalsContact C-N 3.34Å; I485-K487 PolarHBondContact O-N 3.34Å; K487-L491 WeakPolarHBondContact O-CB 3.37Å; K487-L491 VanDerWaalsContact O-CG 3.27Å; K487-L491 WeakPolarHBondContact O-CG 3.33Å; K487-L491 PolarHBondContact O-N 3.33Å |
| 488 | L | 76.9 | Confident | 72.6 | Confident | 19 Ų | 19 | 71.2 Ų | 71.2 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -75.7 | -32.7 | 175.9 | -70.9 | 166.6 | 0 | 0 | 0 | 111.4 | H443 L444 K447 S484 I485 Q486 N492 | H443-L488 WeakPolarHBondContact ND1-CD2 3.43Å; L444-L488 HydrophobicContact CB-CB 4.18Å; L444-L488 HydrophobicContact CD1-CB 3.98Å; K447-L488 HydrophobicContact CB-CD1 4.47Å; K447-L488 HydrophobicContact CG-CD1 3.94Å; S484-L488 WeakPolarHBondContact O-CG 3.22Å; S484-L488 PolarHBondContact O-N 2.91Å; S484-L488 VanDerWaalsContact O-N 3.14Å; I485-L488 CarbonylContact O-C 3.59Å; I485-L488 WeakPolarHBondContact O-CA 3.4Å; I485-L488 PolarHBondContact O-N 3.03Å; Q486-L488 VanDerWaalsContact C-N 3.32Å; Q486-L488 PolarHBondContact O-N 3.45Å; L488-N492 VanDerWaalsContact O-CB 3.3Å; L488-N492 WeakPolarHBondContact O-CB 3.46Å; L488-N492 PolarHBondContact O-N 3.39Å |
| 489 | E | 77.6 | Confident | 71.9 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.8 | -45.6 | 170.6 | -72.6 | 162.2 | 179.2 | 0 | 0 | 110.9 | L444 Q448 I485 Q486 L491 N492 V493 | L444-E489 HydrophobicContact CD1-CG 3.72Å; L444-E489 HydrophobicContact CD2-CG 3.73Å; L444-E489 HydrophobicContact CG-CG 4.39Å; Q448-E489 PolarHBondContact NE2-OE1 2.86Å; Q448-E489 VanDerWaalsContact NE2-OE1 3.14Å; I485-E489 HydrophobicContact CG2-CG 4.46Å; I485-E489 WeakPolarHBondContact CG2-OE1 3.49Å; I485-E489 WeakPolarHBondContact O-CG 3.48Å; I485-E489 PolarHBondContact O-N 2.84Å; Q486-E489 PolarHBondContact O-N 3.28Å; E489-L491 PolarHBondContact O-N 2.9Å; E489-N492 PolarHBondContact O-N 2.9Å; E489-N492 VanDerWaalsContact O-N 3.16Å; E489-V493 WeakPolarHBondContact O-CG2 3.29Å; E489-V493 PolarHBondContact O-N 2.78Å |
| 490 | E | 77.8 | Confident | 71.3 | Confident | 108 Ų | 108 | 70 Ų | 70 | 51% | 0.505 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 173.2 | -74.4 | 165.5 | -171.4 | 0 | 0 | 112.1 | Q486 G494 | Q486-E490 WeakPolarHBondContact CG-OE1 3.42Å; Q486-E490 PolarHBondContact NE2-OE1 3.14Å; Q486-E490 VanDerWaalsContact NE2-OE1 3.11Å; Q486-E490 WeakPolarHBondContact O-CB 3.29Å; Q486-E490 VanDerWaalsContact O-CG 3.31Å; Q486-E490 WeakPolarHBondContact O-CG 3.33Å; Q486-E490 PolarHBondContact O-N 3.42Å; E490-G494 PolarHBondContact O-N 3Å |
| 491 | L | 71 | Confident | 70.4 | Confident | 106 Ų | 106 | 71 Ų | 71 | 56% | 0.555 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66 | -39.2 | 173.9 | -76.3 | 167.4 | 0 | 0 | 0 | 112.2 | V440 K487 E489 G494 M495 | V440-L491 HydrophobicContact CG1-CB 4.35Å; K487-L491 WeakPolarHBondContact O-CB 3.37Å; K487-L491 VanDerWaalsContact O-CG 3.27Å; K487-L491 WeakPolarHBondContact O-CG 3.33Å; K487-L491 PolarHBondContact O-N 3.33Å; E489-L491 PolarHBondContact O-N 2.9Å; L491-G494 PolarHBondContact O-N 3.41Å; L491-M495 WeakPolarHBondContact O-CG 3.45Å; L491-M495 PolarHBondContact O-N 2.84Å |
| 492 | N | 75.9 | Confident | 69.5 | Low | 26 Ų | 26 | 72 Ų | 72 | 14% | 0.139 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.8 | -44 | 177.5 | -170.6 | 80.8 | 0 | 0 | 0 | 111.6 | V440 L488 E489 M495 E496 | V440-N492 HydrophobicContact CG1-CB 4.16Å; L488-N492 VanDerWaalsContact O-CB 3.3Å; L488-N492 WeakPolarHBondContact O-CB 3.46Å; L488-N492 PolarHBondContact O-N 3.39Å; E489-N492 PolarHBondContact O-N 2.9Å; E489-N492 VanDerWaalsContact O-N 3.16Å; N492-M495 WeakPolarHBondContact O-CB 3.41Å; N492-M495 PolarHBondContact O-N 2.96Å; N492-M495 VanDerWaalsContact O-N 3.15Å; N492-E496 PolarHBondContact ND2-OE1 3.44Å; N492-E496 VanDerWaalsContact ND2-OE1 3.16Å; N492-E496 PolarHBondContact O-N 3.5Å |
| 493 | V | 68.6 | Low | 68.5 | Low | 76 Ų | 76 | 73.8 Ų | 73.8 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 174 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | E489 M495 E496 N497 | E489-V493 WeakPolarHBondContact O-CG2 3.29Å; E489-V493 PolarHBondContact O-N 2.78Å; V493-M495 PolarHBondContact O-N 3.07Å; V493-E496 WeakPolarHBondContact O-CB 3.37Å; V493-E496 PolarHBondContact O-N 3.41Å; V493-E496 VanDerWaalsContact O-N 3.07Å; V493-N497 PolarHBondContact O-N 3.37Å; V493-N497 PolarHBondContact O-ND2 2.83Å |
| 494 | G | 64.7 | Low | 67.4 | Low | 39 Ų | 39 | 68.2 Ų | 68.2 | 40% | 0.402 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.4 | -35.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E490 L491 L498 | E490-G494 PolarHBondContact O-N 3Å; L491-G494 PolarHBondContact O-N 3.41Å; G494-L498 PolarHBondContact O-N 2.9Å |
| 495 | M | 60.7 | Low | 66.4 | Low | 19 Ų | 19 | 71.5 Ų | 71.5 | 9% | 0.094 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -74.6 | -26 | 173.2 | -67 | -166.7 | 76.8 | 0 | 0 | 113.4 | F433 Q436 R437 V440 L491 N492 V493 L498 G499 | F433-M495 HydrophobicContact CD2-CE 3.64Å; F433-M495 HydrophobicContact CE2-CB 4.14Å; F433-M495 HydrophobicContact CE2-CE 3.51Å; F433-M495 HydrophobicContact CZ-CB 4.44Å; F433-M495 HydrophobicContact CZ-CE 4.32Å; F433-M495 WeakPolarHBondContact CZ-O 3.05Å; Q436-M495 HydrophobicContact CB-CE 3.96Å; Q436-M495 HydrophobicContact CG-CE 3.88Å; Q436-M495 HydrophobicContact CG-SD 4.31Å; R437-M495 HydrophobicContact CB-CE 3.76Å; R437-M495 HydrophobicContact CB-SD 4.14Å; R437-M495 HydrophobicContact CG-CE 4.47Å; R437-M495 HydrophobicContact CG-SD 4.4Å; V440-M495 HydrophobicContact CG2-SD 4.03Å; L491-M495 WeakPolarHBondContact O-CG 3.45Å; L491-M495 PolarHBondContact O-N 2.84Å; N492-M495 WeakPolarHBondContact O-CB 3.41Å; N492-M495 PolarHBondContact O-N 2.96Å; N492-M495 VanDerWaalsContact O-N 3.15Å; V493-M495 PolarHBondContact O-N 3.07Å; M495-L498 PolarHBondContact O-N 3.18Å; M495-G499 PolarHBondContact O-N 2.72Å |
| 496 | E | 60.5 | Low | 64.8 | Low | 95 Ų | 95 | 74.7 Ų | 74.7 | 44% | 0.444 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 175.3 | -73.2 | 167.8 | -173.9 | 0 | 0 | 111.2 | N492 V493 L498 G499 D500 | N492-E496 PolarHBondContact ND2-OE1 3.44Å; N492-E496 VanDerWaalsContact ND2-OE1 3.16Å; N492-E496 PolarHBondContact O-N 3.5Å; V493-E496 WeakPolarHBondContact O-CB 3.37Å; V493-E496 PolarHBondContact O-N 3.41Å; V493-E496 VanDerWaalsContact O-N 3.07Å; E496-L498 PolarHBondContact O-N 3.28Å; E496-G499 WeakPolarHBondContact O-CA 3.35Å; E496-G499 PolarHBondContact O-N 2.81Å; E496-G499 VanDerWaalsContact O-N 3.1Å; E496-D500 PolarHBondContact O-N 2.9Å |
| 497 | N | 63 | Low | 63.3 | Low | 109 Ų | 109 | 76.5 Ų | 76.5 | 58% | 0.583 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57.3 | -46.7 | 174.4 | -63.6 | -41.6 | 0 | 0 | 0 | 112.2 | V493 G499 D500 E501 | V493-N497 PolarHBondContact O-N 3.37Å; V493-N497 PolarHBondContact O-ND2 2.83Å; N497-G499 VanDerWaalsContact C-N 3.28Å; N497-G499 PolarHBondContact O-N 2.87Å; N497-D500 PolarHBondContact O-N 3.34Å; N497-E501 PolarHBondContact O-N 3.49Å; N497-E501 VanDerWaalsContact O-N 3.07Å |
| 498 | L | 57.8 | Low | 61.6 | Low | 86 Ų | 86 | 78.7 Ų | 78.7 | 45% | 0.45 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -66.5 | -32.5 | 178.3 | -153 | 77.1 | 0 | 0 | 0 | 111.8 | F433 G494 M495 E496 D500 E501 V502 | F433-L498 HydrophobicContact CD2-CD2 4.14Å; F433-L498 HydrophobicContact CE2-CB 4.06Å; F433-L498 HydrophobicContact CE2-CD2 4.13Å; F433-L498 HydrophobicContact CE2-CG 4.49Å; G494-L498 PolarHBondContact O-N 2.9Å; M495-L498 PolarHBondContact O-N 3.18Å; E496-L498 PolarHBondContact O-N 3.28Å; L498-D500 VanDerWaalsContact C-N 3.32Å; L498-E501 PolarHBondContact O-N 2.6Å; L498-V502 WeakPolarHBondContact O-CB 3.39Å; L498-V502 VanDerWaalsContact O-CG2 3.25Å; L498-V502 WeakPolarHBondContact O-CG2 3.2Å; L498-V502 PolarHBondContact O-N 2.82Å |
| 499 | G | 58.8 | Low | 59.9 | Low | 5 Ų | 5 | 82.7 Ų | 82.7 | 5% | 0.052 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.3 | -30.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | F433 M495 E496 N497 K503 | F433-G499 VanDerWaalsContact CZ-CA 3.42Å; M495-G499 PolarHBondContact O-N 2.72Å; E496-G499 WeakPolarHBondContact O-CA 3.35Å; E496-G499 PolarHBondContact O-N 2.81Å; E496-G499 VanDerWaalsContact O-N 3.1Å; N497-G499 VanDerWaalsContact C-N 3.28Å; N497-G499 PolarHBondContact O-N 2.87Å; G499-K503 VanDerWaalsContact O-CG 3.24Å; G499-K503 WeakPolarHBondContact O-CG 3.24Å; G499-K503 PolarHBondContact O-N 2.93Å |
| 500 | D | 59.4 | Low | 58.3 | Low | 86 Ų | 86 | 86 Ų | 86 | 46% | 0.46 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -81.8 | -32 | 176.2 | -70.8 | -20.1 | 0 | 0 | 0 | 112.4 | E496 N497 L498 K503 S504 | E496-D500 PolarHBondContact O-N 2.9Å; N497-D500 PolarHBondContact O-N 3.34Å; L498-D500 VanDerWaalsContact C-N 3.32Å; D500-K503 PolarHBondContact O-N 2.86Å; D500-K503 IonicContact OD1-NZ 3.84Å; D500-K503 PolarHBondContact OD1-NZ 2.84Å; D500-S504 WeakPolarHBondContact O-CB 3.39Å; D500-S504 PolarHBondContact O-N 2.87Å; D500-S504 PolarHBondContact O-OG 3.37Å |
| 501 | E | 57.9 | Low | 56.1 | Low | 120 Ų | 120 | 83.7 Ų | 83.7 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.7 | -46.1 | 164.7 | -72.6 | -173.9 | 150.7 | 0 | 0 | 111.4 | N497 L498 K503 S504 L505 | N497-E501 PolarHBondContact O-N 3.49Å; N497-E501 VanDerWaalsContact O-N 3.07Å; L498-E501 PolarHBondContact O-N 2.6Å; E501-K503 PolarHBondContact O-N 2.92Å; E501-S504 PolarHBondContact O-N 2.79Å; E501-S504 PolarHBondContact O-OG 3.36Å; E501-L505 PolarHBondContact O-N 2.85Å |
| 502 | V | 57.2 | Low | 54 | Low | 38 Ų | 38 | 86.1 Ų | 86.1 | 23% | 0.23 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 178.1 | 169.5 | 0 | 0 | 0 | 0 | 112.3 | Y430 L498 T506 | Y430-V502 HydrophobicContact CD2-CG1 3.42Å; Y430-V502 VanDerWaalsContact CD2-CG1 3.42Å; Y430-V502 HydrophobicContact CE2-CG1 3.83Å; L498-V502 WeakPolarHBondContact O-CB 3.39Å; L498-V502 VanDerWaalsContact O-CG2 3.25Å; L498-V502 WeakPolarHBondContact O-CG2 3.2Å; L498-V502 PolarHBondContact O-N 2.82Å; V502-T506 PolarHBondContact O-N 3.31Å; V502-T506 VanDerWaalsContact O-N 3.16Å; V502-T506 PolarHBondContact O-OG1 2.99Å |
| 503 | K | 56.5 | Low | 51.8 | Low | 95 Ų | 95 | 94.1 Ų | 94.1 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 171.1 | -75.6 | 170.8 | -159.9 | 157.8 | 0 | 112.5 | G499 D500 E501 T506 Q507 | G499-K503 VanDerWaalsContact O-CG 3.24Å; G499-K503 WeakPolarHBondContact O-CG 3.24Å; G499-K503 PolarHBondContact O-N 2.93Å; D500-K503 PolarHBondContact O-N 2.86Å; D500-K503 IonicContact OD1-NZ 3.84Å; D500-K503 PolarHBondContact OD1-NZ 2.84Å; E501-K503 PolarHBondContact O-N 2.92Å; K503-T506 WeakPolarHBondContact O-CB 3.28Å; K503-T506 PolarHBondContact O-N 2.89Å; K503-T506 VanDerWaalsContact O-N 3.15Å; K503-Q507 PolarHBondContact O-N 2.82Å |
| 504 | S | 55.1 | Low | 49.9 | Very low | 54 Ų | 54 | 97.6 Ų | 97.6 | 38% | 0.378 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.8 | -35.6 | -178.6 | 68.6 | 0 | 0 | 0 | 0 | 112.4 | D500 E501 T506 Q507 H508 | D500-S504 WeakPolarHBondContact O-CB 3.39Å; D500-S504 PolarHBondContact O-N 2.87Å; D500-S504 PolarHBondContact O-OG 3.37Å; E501-S504 PolarHBondContact O-N 2.79Å; E501-S504 PolarHBondContact O-OG 3.36Å; S504-T506 VanDerWaalsContact C-N 3.33Å; S504-Q507 PolarHBondContact O-N 3.13Å; S504-H508 PolarHBondContact O-N 3.49Å; S504-H508 PolarHBondContact O-ND1 3.01Å |
| 505 | L | 50.9 | Low | 48.1 | Very low | 117 Ų | 117 | 101.8 Ų | 101.8 | 61% | 0.613 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -58.5 | -42.4 | 166.2 | -79.1 | 160.4 | 0 | 0 | 0 | 112.1 | E501 H508 C509 | E501-L505 PolarHBondContact O-N 2.85Å; L505-H508 PolarHBondContact O-N 3.48Å; L505-C509 PolarHBondContact O-N 2.89Å; L505-C509 PolarHBondContact O-SG 3.4Å |
| 506 | T | 51.2 | Low | 47.4 | Very low | 71 Ų | 71 | 106.5 Ų | 106.5 | 44% | 0.436 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.4 | -34.6 | 177.4 | -48 | 0 | 0 | 0 | 0 | 112.1 | V502 K503 S504 C509 | V502-T506 PolarHBondContact O-N 3.31Å; V502-T506 VanDerWaalsContact O-N 3.16Å; V502-T506 PolarHBondContact O-OG1 2.99Å; K503-T506 WeakPolarHBondContact O-CB 3.28Å; K503-T506 PolarHBondContact O-N 2.89Å; K503-T506 VanDerWaalsContact O-N 3.15Å; S504-T506 VanDerWaalsContact C-N 3.33Å; T506-C509 PolarHBondContact O-N 3.47Å |
| 507 | Q | 48 | Very low | 45.7 | Very low | 144 Ų | 144 | 106.7 Ų | 106.7 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.3 | -35.2 | 174.3 | -77.6 | 179.9 | -31.3 | 0 | 0 | 112.8 | K503 S504 C509 N510 | K503-Q507 PolarHBondContact O-N 2.82Å; S504-Q507 PolarHBondContact O-N 3.13Å; Q507-C509 PolarHBondContact O-N 2.98Å; Q507-N510 PolarHBondContact O-N 3.11Å; Q507-N510 VanDerWaalsContact O-N 3.16Å |
| 508 | H | 44.6 | Very low | 44 | Very low | 165 Ų | 165 | 106.3 Ų | 106.3 | 76% | 0.764 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.6 | -25.9 | 174.6 | -88.8 | 57.2 | 0 | 0 | 0 | 113.2 | S504 L505 N510 | S504-H508 PolarHBondContact O-N 3.49Å; S504-H508 PolarHBondContact O-ND1 3.01Å; L505-H508 PolarHBondContact O-N 3.48Å; H508-N510 VanDerWaalsContact C-N 3.32Å; H508-N510 PolarHBondContact O-N 3.01Å |
| 509 | C | 41.6 | Very low | 42.7 | Very low | 102 Ų | 102 | 110.4 Ų | 110.4 | 69% | 0.689 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -12.4 | 176.6 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | L505 T506 Q507 | L505-C509 PolarHBondContact O-N 2.89Å; L505-C509 PolarHBondContact O-SG 3.4Å; T506-C509 PolarHBondContact O-N 3.47Å; Q507-C509 PolarHBondContact O-N 2.98Å |
| 510 | N | 42.2 | Very low | 41.2 | Very low | 145 Ų | 145 | 116.3 Ų | 116.3 | 78% | 0.775 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.4 | 9.4 | -173.8 | -84.6 | -18.9 | 0 | 0 | 0 | 113.8 | Q507 H508 | Q507-N510 PolarHBondContact O-N 3.11Å; Q507-N510 VanDerWaalsContact O-N 3.16Å; H508-N510 VanDerWaalsContact C-N 3.32Å; H508-N510 PolarHBondContact O-N 3.01Å |
| 511 | G | 32.5 | Very low | 39.7 | Very low | 59 Ų | 59 | 118 Ų | 118 | 61% | 0.608 | 66% | 0.662 | S | S | * | * | trans | -113.5 | 82.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 512 | N | 27.8 | Very low | 38.2 | Very low | 157 Ų | 157 | 119.9 Ų | 119.9 | 84% | 0.84 | 68% | 0.676 | S | S | * | * | trans | -154.5 | 72.8 | 156 | -145.6 | 27.4 | 0 | 0 | 0 | 114.6 | ||||
| 513 | E | 28 | Very low | 36.8 | Very low | 194 Ų | 194 | 125.3 Ų | 125.3 | 91% | 0.907 | 70% | 0.703 | S | S | * | * | trans | -158.1 | 117.6 | 152.7 | -115.9 | 173.6 | -152.2 | 0 | 0 | 110.1 | ||||
| 514 | N | 30.1 | Very low | 36.3 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | trans | -97.4 | 153.2 | 167.8 | -77.7 | -44.4 | 0 | 0 | 0 | 107.6 | ||||
| 515 | T | 27.2 | Very low | 35.7 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | -174.7 | -173.9 | 57.8 | -25.7 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 516 | P | 45.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | -124.7 | -167.6 | -103.9 | 45.4 | -29.1 | 0 | 0 | 0 | 117.1 | |||||
| 517 | A | 25.1 | Very low | 33.2 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | 82.8 | 145.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 518 | S | 26.5 | Very low | 32 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | cis | -156.3 | 153.7 | 18.6 | 53 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 519 | E | 29.8 | Very low | 32.1 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 67.3 | 118.3 | 143.8 | -70.8 | 176.1 | -176.7 | 0 | 0 | 123.9 | ||||
| 520 | D | 27.6 | Very low | 31.3 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | 83.6 | 119.7 | 124.1 | -79.5 | 24.5 | 0 | 0 | 0 | 126.3 | |||||
| 521 | N | 28 | Very low | 30.6 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 66% | 0.658 | 75% | 0.752 | S | S | * | * | 54.7 | 122.2 | 128.2 | -64.3 | -41.2 | 0 | 0 | 0 | 119.3 | |||||
| 522 | N | 27.8 | Very low | 30.2 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | -171.2 | 171.7 | 58.4 | -118.5 | -43.5 | 0 | 0 | 0 | 114.3 | |||||
| 523 | N | 26.3 | Very low | 30.1 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -87.5 | 171.2 | -174.6 | -115.8 | -20.6 | 0 | 0 | 0 | 114.3 | ||||
| 524 | P | 47.6 | Very low | 30 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 69% | 0.688 | 75% | 0.749 | S | S | * | * | trans | -93.9 | -164.9 | -171.9 | 44.2 | -41.8 | 0 | 0 | 0 | 112.5 | ||||
| 525 | P | 40.9 | Very low | 29.7 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | -161.4 | 156 | 81.5 | 45.5 | -24.9 | 0 | 0 | 0 | 119.8 | |||||
| 526 | S | 25.6 | Very low | 29.5 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 56.5 | 159.5 | 133.9 | 65.9 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 527 | V | 25.7 | Very low | 28.5 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | 116.3 | 118.7 | 146.4 | -175.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 528 | T | 22.1 | Very low | 28.3 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -86 | -178.7 | 167 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 529 | P | 46.5 | Very low | 28.3 | Very low | 106 Ų | 106 | 128 Ų | 128 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | cis | -132.6 | -161.8 | -23.8 | 26.9 | -2.4 | 0 | 0 | 0 | 112.6 | ||||
| 530 | E | 25.6 | Very low | 28 | Very low | 152 Ų | 152 | 126 Ų | 126 | 71% | 0.71 | 76% | 0.763 | S | S | * | * | trans | 109.6 | 138.3 | 131.2 | -105 | -173.8 | -139.9 | 0 | 0 | 123.5 | ||||
| 531 | Q | 26.9 | Very low | 27.8 | Very low | 149 Ų | 149 | 124.9 Ų | 124.9 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | trans | 80 | 111.6 | 148.9 | -69 | -170.8 | 37.7 | 0 | 0 | 124.5 | ||||
| 532 | N | 24.2 | Very low | 27.7 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | 43 | 127.1 | 120.5 | -67.7 | -29.1 | 0 | 0 | 0 | 121.5 | |||||
| 533 | R | 25.8 | Very low | 27.6 | Very low | 233 Ų | 233 | 123.5 Ų | 123.5 | 88% | 0.879 | 77% | 0.772 | S | S | * | * | -178.4 | 116.4 | 104.1 | -101.2 | 177.3 | -176.2 | -173.6 | 1.8 | 116.4 | |||||
| 534 | S | 25.1 | Very low | 28 | Very low | 95 Ų | 95 | 121.7 Ų | 121.7 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | 44.6 | 141 | 121.5 | 71.3 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 535 | C | 23.4 | Very low | 27 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | 87.4 | 111.7 | 144.7 | -68.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 536 | G | 23.1 | Very low | 26.2 | Very low | 78 Ų | 78 | 131.4 Ų | 131.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | 121.2 | 103.4 | 89.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 537 | G | 24.1 | Very low | 26.1 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | 80.5 | 129.2 | 128.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 538 | G | 22.6 | Very low | 26.2 | Very low | 74 Ų | 74 | 132.4 Ų | 132.4 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | 110.1 | 86.3 | 123.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 539 | V | 25.6 | Very low | 26.4 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | trans | 21.5 | 132 | 133.3 | -158.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 540 | V | 24.6 | Very low | 25.4 | Very low | 130 Ų | 130 | 129 Ų | 129 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | 166.9 | 125.1 | 118.2 | 162.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 541 | S | 23.3 | Very low | 25.4 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | 6.4 | 135 | 151.2 | 168.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 542 | S | 23.9 | Very low | 25.3 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | -168.4 | 141.3 | 119.5 | 40.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 543 | T | 26.2 | Very low | 25.3 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -126.4 | 155.1 | 150.1 | 4.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 544 | P | 35.5 | Very low | 26.4 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | -159.5 | -178.2 | 64.6 | 42.1 | -20.4 | 0 | 0 | 0 | 117.6 | |||||
| 545 | Q | 25.7 | Very low | 27.1 | Very low | 183 Ų | 183 | 127.5 Ų | 127.5 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | 153.2 | 126.9 | 139.8 | -84.9 | -177.9 | 16.7 | 0 | 0 | 108.4 | ||||
| 546 | R | 24.1 | Very low | 28 | Very low | 233 Ų | 233 | 126.1 Ų | 126.1 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | cis | 104.4 | 106.1 | 20.5 | -163.7 | -172.1 | -156.7 | -164.9 | 8.7 | 113.7 | ||||
| 547 | S | 24.4 | Very low | 28 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -148.9 | 163.4 | 157.4 | 61.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 548 | V | 26.8 | Very low | 28 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -145.9 | 153 | -159.6 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 549 | G | 26.7 | Very low | 28.1 | Very low | 74 Ų | 74 | 136.1 Ų | 136.1 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | cis | -156.2 | -147.2 | 5.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 550 | G | 24.9 | Very low | 28.9 | Very low | 84 Ų | 84 | 135.1 Ų | 135.1 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | cis | -165.2 | -179.2 | 1.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 551 | R | 25.8 | Very low | 28.8 | Very low | 244 Ų | 244 | 135.2 Ų | 135.2 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -89 | 156 | -174.1 | -68.9 | 170.8 | 160.9 | 179.2 | -6.8 | 114.5 | ||||
| 552 | V | 24.8 | Very low | 28.8 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 87% | 0.873 | 81% | 0.807 | S | S | * | * | trans | -151 | 135.5 | 133.3 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 553 | V | 25.9 | Very low | 28.8 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | trans | -164.4 | 160.1 | 173.9 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 554 | P | 47.8 | Very low | 28.8 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 81% | 0.807 | S | S | * | * | cis | -113.5 | -119.8 | -41.6 | 37.3 | -17.8 | 0 | 0 | 0 | 109.6 | ||||
| 555 | P | 40.5 | Very low | 28.2 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | -117.6 | -138.3 | -56.5 | 42.5 | -24.4 | 0 | 0 | 0 | 110.3 | |||||
| 556 | P | 42 | Very low | 28.1 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 66% | 0.662 | 81% | 0.805 | S | S | * | * | cis | -132.5 | 176.2 | -30 | 39.6 | -22.1 | 0 | 0 | 0 | 117.1 | ||||
| 557 | N | 23.5 | Very low | 28.2 | Very low | 148 Ų | 148 | 129 Ų | 129 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | 59.5 | 127.5 | 149.9 | -64.8 | -1.9 | 0 | 0 | 0 | 123.1 | ||||
| 558 | E | 23.4 | Very low | 28.2 | Very low | 185 Ų | 185 | 126.6 Ų | 126.6 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | -179.7 | 161.9 | 93 | -91.1 | -166.1 | 169.2 | 0 | 0 | 113.6 | |||||
| 559 | S | 23.6 | Very low | 28.1 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -150.8 | 171.6 | 167.6 | -59.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 560 | P | 43.1 | Very low | 27.9 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | cis | -129.6 | -158.9 | -6.2 | 39.3 | -20.2 | 0 | 0 | 0 | 111.8 | ||||
| 561 | V | 22.9 | Very low | 29 | Very low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | 162.4 | 151.3 | 129.9 | 158.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 562 | L | 23.3 | Very low | 28.8 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -87.6 | 155.2 | -174.4 | -57.6 | 109.8 | 0 | 0 | 0 | 115.6 | ||||
| 563 | S | 24.6 | Very low | 28.7 | Very low | 127 Ų | 127 | 132 Ų | 132 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 171.6 | 148.7 | 135.7 | 41.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 564 | G | 24.7 | Very low | 28.7 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | -173.5 | 177.7 | -5.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 565 | L | 23.9 | Very low | 27.8 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -40.9 | 161.7 | 170.6 | -61.7 | 132.7 | 0 | 0 | 0 | 114.7 | ||||
| 566 | D | 24 | Very low | 26.9 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 72% | 0.717 | 80% | 0.797 | S | S | * | * | cis | -164.5 | 176.8 | 17.1 | -146.4 | -23.2 | 0 | 0 | 0 | 113.4 | ||||
| 567 | S | 25 | Very low | 26.1 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | 48.5 | 114 | 143.8 | 71.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 568 | G | 24.4 | Very low | 26.3 | Very low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -81.4 | -177.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 569 | Q | 25.1 | Very low | 27.1 | Very low | 207 Ų | 207 | 132.5 Ų | 132.5 | 97% | 0.967 | 80% | 0.797 | S | S | * | * | trans | -166.2 | 162.4 | 144.6 | -107.6 | 174 | 31.4 | 0 | 0 | 111.3 | ||||
| 570 | K | 22.1 | Very low | 27.2 | Very low | 196 Ų | 196 | 130.5 Ų | 130.5 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -130.9 | 170.8 | -175.3 | -135.9 | -170 | -174.9 | -176.8 | 0 | 106.8 | ||||
| 571 | P | 48.2 | Very low | 26.3 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | -125.9 | 179.8 | -66.8 | 35.6 | -19.1 | 0 | 0 | 0 | 112.5 | |||||
| 572 | K | 22.8 | Very low | 26.6 | Very low | 217 Ų | 217 | 133 Ų | 133 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | trans | 177.6 | 152.4 | 155.3 | -98.4 | 155.9 | -176.3 | -177 | 0 | 107.2 | ||||
| 573 | G | 22.7 | Very low | 26.8 | Very low | 65 Ų | 65 | 131.3 Ų | 131.3 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | cis | 147 | 114.3 | -2.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 574 | Q | 25 | Very low | 26.9 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | 67.2 | 153.5 | 179.2 | -56.2 | -176.2 | -35.8 | 0 | 0 | 115.2 | ||||
| 575 | P | 29.7 | Very low | 26.9 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | -132.9 | 178 | 71.4 | 39.1 | -24.7 | 0 | 0 | 0 | 115.4 | |||||
| 576 | S | 21.7 | Very low | 27 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | trans | -119.7 | 168.8 | 171.9 | 64.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 577 | D | 25.2 | Very low | 27 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 81% | 0.813 | S | S | * | * | trans | 72.4 | 137.6 | 147.8 | -71.7 | -44 | 0 | 0 | 0 | 120.8 | ||||
| 578 | S | 27.8 | Very low | 27 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | cis | -149 | -145.6 | -6.5 | -62 | 0 | 0 | 0 | 0 | 111 | ||||
| 579 | P | 40.4 | Very low | 27.1 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | -126.2 | 167.4 | -113.5 | 39 | -19.5 | 0 | 0 | 0 | 117 | |||||
| 580 | G | 24.2 | Very low | 27.2 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 162.6 | 134.3 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 581 | S | 25.1 | Very low | 27.7 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | trans | 75.2 | 109.9 | 172.2 | -154.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 582 | L | 28.6 | Very low | 27.1 | Very low | 186 Ų | 186 | 143.3 Ų | 143.3 | 97% | 0.974 | 81% | 0.806 | S | S | * | * | trans | -100.7 | 103.3 | 176.7 | -82.7 | 164.3 | 0 | 0 | 0 | 111.3 | ||||
| 583 | T | 28.4 | Very low | 28.3 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | -112.9 | 113.4 | 166.2 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 584 | R | 25.3 | Very low | 30.2 | Very low | 251 Ų | 251 | 141.8 Ų | 141.8 | 95% | 0.947 | 79% | 0.793 | S | S | * | * | trans | 27.3 | 101.4 | 159.4 | -156.7 | 169.8 | -174.9 | 171.5 | -0 | 116.8 | ||||
| 585 | S | 25.1 | Very low | 32.9 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -59.2 | 145.1 | 178.2 | 43.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 586 | K | 26.9 | Very low | 35.7 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | trans | -65.9 | 141.8 | 156.5 | -67.3 | 174.2 | 174.9 | 177.1 | 0 | 109.2 | ||||
| 587 | E | 24 | Very low | 38.9 | Very low | 201 Ų | 201 | 128.2 Ų | 128.2 | 94% | 0.939 | 71% | 0.713 | S | S | * | * | trans | -81.4 | 114.1 | 144.4 | -80.1 | -175.7 | 160.2 | 0 | 0 | 107.5 | G589 | E587-G589 PolarHBondContact O-N 3.49Š| ||
| 588 | Q | 25.1 | Very low | 42 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | trans | -91.5 | 98.3 | 176.6 | -170.9 | 142.1 | -35.9 | 0 | 0 | 106.5 | D590 | Q588-D590 PolarHBondContact O-N 3.23Š| ||
| 589 | G | 26.4 | Very low | 44.8 | Very low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 67% | 0.671 | S | S | * | * | trans | -55.7 | 126.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | E587 K591 | E587-G589 PolarHBondContact O-N 3.49Å; G589-K591 PolarHBondContact O-N 3.39Å | ||
| 590 | D | 26.4 | Very low | 47.2 | Very low | 155 Ų | 155 | 115.8 Ų | 115.8 | 83% | 0.829 | 64% | 0.635 | S | S | * | * | trans | -54.4 | 134.4 | -176.7 | -104.1 | -41.5 | 0 | 0 | 0 | 111.4 | Q588 T592 | Q588-D590 PolarHBondContact O-N 3.23Å; D590-T592 VanDerWaalsContact C-N 3.32Å; D590-T592 PolarHBondContact O-N 2.95Å | ||
| 591 | K | 33.4 | Very low | 50.5 | Low | 194 Ų | 194 | 113.6 Ų | 113.6 | 84% | 0.843 | 61% | 0.608 | S | S | * | * | trans | -74 | 95.2 | 160 | -77 | -171.9 | 174.8 | -172.4 | 0 | 107.2 | G589 N593 | G589-K591 PolarHBondContact O-N 3.39Å; K591-N593 PolarHBondContact O-N 3.11Å | ||
| 592 | T | 35.7 | Very low | 53.8 | Low | 110 Ų | 110 | 108.2 Ų | 108.2 | 68% | 0.675 | 57% | 0.57 | S | S | * | * | trans | -52.8 | 121.5 | 161.1 | 46.9 | 0 | 0 | 0 | 0 | 108 | D590 D594 | D590-T592 VanDerWaalsContact C-N 3.32Å; D590-T592 PolarHBondContact O-N 2.95Å; T592-D594 PolarHBondContact O-N 3.4Å | ||
| 593 | N | 48.2 | Very low | 57 | Low | 145 Ų | 145 | 105 Ų | 105 | 78% | 0.775 | 55% | 0.55 | S | S | * | * | trans | -65.8 | 108.8 | 168.7 | -83.4 | -25.1 | 0 | 0 | 0 | 107.2 | K591 L595 | K591-N593 PolarHBondContact O-N 3.11Å; N593-L595 PolarHBondContact O-N 2.94Å | ||
| 594 | D | 62.3 | Low | 60.3 | Low | 105 Ų | 105 | 99.6 Ų | 99.6 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | trans | -59.7 | 112.8 | 177 | -63.6 | -34.8 | 0 | 0 | 0 | 109.1 | T592 F596 | T592-D594 PolarHBondContact O-N 3.4Å; D594-F596 PolarHBondContact O-N 3.39Å; D594-F596 VanDerWaalsContact O-N 3.12Å | ||
| 595 | L | 80.8 | Confident | 63.6 | Low | 78 Ų | 78 | 92.9 Ų | 92.9 | 41% | 0.408 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -57.6 | -26 | -179.1 | -81.8 | 162.3 | 0 | 0 | 0 | 112.4 | N593 T881 H916 N917 | N593-L595 PolarHBondContact O-N 2.94Å; L595-T881 HydrophobicContact CD1-CG2 3.92Å; L595-H916 CarbonylContact O-C 3.56Å; L595-H916 VanDerWaalsContact O-CA 3.29Å; L595-H916 WeakPolarHBondContact O-CA 3.5Å; L595-N917 PolarHBondContact O-N 3.46Å |
| 596 | F | 88.2 | Confident | 67.1 | Low | 13 Ų | 13 | 91.7 Ų | 91.7 | 6% | 0.057 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 132.9 | 174.6 | -74.8 | -99.8 | 0 | 0 | 0 | 110.1 | D594 V883 W895 L900 F902 W914 R915 H916 | D594-F596 PolarHBondContact O-N 3.39Å; D594-F596 VanDerWaalsContact O-N 3.12Å; F596-V883 HydrophobicContact CB-CB 4.18Å; F596-V883 WeakPolarHBondContact CB-O 3.2Å; F596-V883 HydrophobicContact CD2-CB 3.75Å; F596-V883 HydrophobicContact CD2-CG1 3.58Å; F596-V883 HydrophobicContact CE2-CB 4.49Å; F596-V883 HydrophobicContact CE2-CG1 4.02Å; F596-V883 HydrophobicContact CG-CB 4.19Å; F596-V883 HydrophobicContact CG-CG1 4.49Å; F596-W895 HydrophobicContact CE1-CZ3 4.17Å; F596-W895 HydrophobicContact CZ-CH2 4.13Å; F596-W895 HydrophobicContact CZ-CZ3 4.05Å; F596-L900 HydrophobicContact CE1-CG 4.39Å; F596-L900 HydrophobicContact CZ-CD1 4.46Å; F596-L900 HydrophobicContact CZ-CG 4.07Å; F596-F902 HydrophobicContact CB-CE1 4.17Å; F596-F902 AromaticContact CD1-CD1 3.79Å; F596-F902 HydrophobicContact CD1-CD1 3.79Å; F596-F902 AromaticContact CD1-CE1 3.42Å; F596-F902 HydrophobicContact CD1-CE1 3.42Å; F596-F902 VanDerWaalsContact CD1-CE1 3.42Å; F596-F902 HydrophobicContact CD1-CZ 4.48Å; F596-F902 HydrophobicContact CD2-CE1 4.26Å; F596-F902 AromaticContact CE1-CD1 3.77Å; F596-F902 HydrophobicContact CE1-CD1 3.77Å; F596-F902 AromaticContact CE1-CE1 3.78Å; F596-F902 HydrophobicContact CE1-CE1 3.78Å; F596-F902 HydrophobicContact CG-CD1 4.49Å; F596-F902 AromaticContact CG-CE1 3.7Å; F596-F902 HydrophobicContact CG-CE1 3.7Å; F596-F902 HydrophobicContact CZ-CD1 4.44Å; F596-F902 HydrophobicContact CZ-CE1 4.33Å; F596-W914 HydrophobicContact CB-CB 4.29Å; F596-W914 HydrophobicContact CD1-CB 4.4Å; F596-R915 CarbonylContact C-O 3.58Å; F596-R915 VanDerWaalsContact CA-O 3.27Å; F596-R915 WeakPolarHBondContact CA-O 3.16Å; F596-R915 VanDerWaalsContact CD1-C 3.44Å; F596-H916 HydrophobicContact CD1-CB 4.26Å; F596-H916 VanDerWaalsContact CD1-N 3.3Å; F596-H916 HydrophobicContact CE1-CB 3.84Å; F596-H916 AromaticContact CE2-CD2 3.81Å; F596-H916 HydrophobicContact CZ-CB 4.03Å; F596-H916 AromaticContact CZ-CD2 3.83Å |
| 597 | V | 88.9 | Confident | 70.4 | Confident | 46 Ų | 46 | 84 Ų | 84 | 28% | 0.279 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 141.9 | 179.5 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | V599 W914 R915 N917 | V597-V599 PolarHBondContact O-N 3.48Å; V597-W914 WeakPolarHBondContact O-CA 3.34Å; V597-R915 PolarHBondContact N-O 2.93Å; V597-R915 PolarHBondContact O-N 3.38Å; V597-N917 HydrophobicContact CG1-CB 4.25Å; V597-N917 HydrophobicContact CG2-CB 4.45Å |
| 598 | P | 89.9 | Confident | 73.9 | Confident | 57 Ų | 57 | 74.5 Ų | 74.5 | 37% | 0.37 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 122.7 | 177.7 | 30.4 | -34.1 | 0 | 0 | 0 | 110.5 | T646 T912 W914 | P598-T646 HydrophobicContact CB-CG2 3.97Å; P598-T646 HydrophobicContact CG-CG2 4.08Å; P598-T912 HydrophobicContact CB-CG2 3.62Å; P598-W914 HydrophobicContact CB-CD2 4.47Å; P598-W914 HydrophobicContact CB-CE3 4.04Å; P598-W914 HydrophobicContact CB-CH2 4.4Å; P598-W914 HydrophobicContact CB-CZ3 3.99Å; P598-W914 HydrophobicContact CG-CE3 4.47Å; P598-W914 HydrophobicContact CG-CZ3 4.12Å |
| 599 | V | 88.3 | Confident | 77.3 | Confident | 32 Ų | 32 | 69.1 Ų | 69.1 | 19% | 0.194 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -54.3 | -177.4 | 178.8 | 0 | 0 | 0 | 0 | 111 | V597 P635 L638 K647 L913 R915 | V597-V599 PolarHBondContact O-N 3.48Å; V599-P635 HydrophobicContact CG1-CG 4.47Å; V599-L638 HydrophobicContact CG1-CD2 3.71Å; V599-L638 HydrophobicContact CG2-CD2 4.13Å; V599-K647 PolarHBondContact O-N 2.75Å; V599-L913 PolarHBondContact N-O 3.28Å; V599-R915 HydrophobicContact CG2-CB 3.65Å |
| 600 | H | 90.3 | Very high | 80.7 | Confident | 23 Ų | 23 | 65.7 Ų | 65.7 | 11% | 0.106 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.8 | 178.3 | -68.2 | 163.6 | 0 | 0 | 0 | 110.2 | K647 P649 T912 L913 | H600-K647 WeakPolarHBondContact CA-O 3.36Å; H600-P649 HydrophobicContact CB-CB 4.15Å; H600-P649 HydrophobicContact CB-CG 4.49Å; H600-T912 CarbonylContact O-C 3.56Å; H600-T912 WeakPolarHBondContact O-CA 3.38Å; H600-L913 HydrophobicContact CB-CB 4.13Å; H600-L913 PolarHBondContact O-N 2.72Å |
| 601 | S | 93.1 | Very high | 84.1 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 133.3 | 166.6 | -165.8 | 0 | 0 | 0 | 0 | 110.2 | K647 P649 V911 T912 | S601-K647 PolarHBondContact N-O 3.44Å; S601-K647 VanDerWaalsContact N-O 3.11Å; S601-P649 VanDerWaalsContact O-CD 3.31Å; S601-P649 WeakPolarHBondContact O-CD 3.33Å; S601-V911 CarbonylContact C-O 3.54Å; S601-V911 WeakPolarHBondContact CA-O 3.27Å; S601-T912 PolarHBondContact OG-OG1 3.44Å |
| 602 | L | 95 | Very high | 87.2 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 117 | 177.1 | 175.6 | 69 | 0 | 0 | 0 | 108.8 | V622 P649 V651 T910 V911 | L602-V622 HydrophobicContact CD2-CB 4.32Å; L602-V622 HydrophobicContact CD2-CG1 4.11Å; L602-V622 HydrophobicContact CD2-CG2 4.05Å; L602-P649 HydrophobicContact CB-CG 3.79Å; L602-P649 HydrophobicContact CD1-CG 4.21Å; L602-P649 HydrophobicContact CG-CG 4.46Å; L602-V651 HydrophobicContact CD1-CG2 4.27Å; L602-T910 CarbonylContact O-C 3.59Å; L602-T910 VanDerWaalsContact O-CA 3.27Å; L602-T910 WeakPolarHBondContact O-CA 3.46Å; L602-V911 PolarHBondContact N-O 3.29Å; L602-V911 PolarHBondContact O-N 3.03Å |
| 603 | E | 95.9 | Very high | 90.1 | Very high | 118 Ų | 118 | 45.3 Ų | 45.3 | 55% | 0.551 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 140.5 | 172.9 | -164.3 | -177.4 | 169.4 | 0 | 0 | 111.2 | R909 | E603-R909 WeakPolarHBondContact CA-O 3.34Å |
| 604 | D | 96.4 | Very high | 92.4 | Very high | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.064 | 21% | 0.211 | C | C | . | . | trans | -120.1 | 171.6 | 169.6 | -158 | -83.9 | 0 | 0 | 0 | 111 | Q606 V608 S626 R630 R909 | D604-Q606 PolarHBondContact O-N 3.09Å; D604-V608 HydrophobicContact CB-CG2 3.79Å; D604-S626 WeakPolarHBondContact OD1-CB 3.4Å; D604-S626 PolarHBondContact OD1-OG 2.91Å; D604-R630 IonicContact OD2-CZ 2.75Å; D604-R630 IonicContact OD2-NE 2.69Å; D604-R630 PolarHBondContact OD2-NE 3.46Å; D604-R630 IonicContact OD2-NH2 3.36Å; D604-R630 PolarHBondContact OD2-NH2 3.32Å; D604-R909 PolarHBondContact N-O 3.21Å; D604-R909 VanDerWaalsContact O-CB 3.31Å; D604-R909 WeakPolarHBondContact O-CB 3.43Å | ||
| 605 | T | 95.6 | Very high | 93.9 | Very high | 109 Ų | 109 | 36.2 Ų | 36.2 | 67% | 0.669 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -74.8 | -14.7 | -178.8 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | S626 | T605-S626 WeakPolarHBondContact OG1-CB 3.47Š|
| 606 | Q | 97.4 | Very high | 94.5 | Very high | 90 Ų | 90 | 35.6 Ų | 35.6 | 42% | 0.421 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -143.6 | 165.4 | 178.9 | -57.1 | -173.6 | 15.8 | 0 | 0 | 110.6 | D604 V608 N625 | D604-Q606 PolarHBondContact O-N 3.09Å; Q606-V608 PolarHBondContact O-N 3.18Å; Q606-N625 HydrophobicContact CB-CB 3.77Å; Q606-N625 VanDerWaalsContact OE1-C 3.28Å; Q606-N625 PolarHBondContact OE1-O 3.1Å |
| 607 | A | 97.3 | Very high | 94.7 | Very high | 16 Ų | 16 | 35.1 Ų | 35.1 | 13% | 0.132 | 20% | 0.199 | C | C | . | . | trans | -43.8 | 135.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N625 A907 | A607-N625 WeakPolarHBondContact O-CB 3.4Å; A607-N625 PolarHBondContact O-N 2.64Å; A607-A907 HydrophobicContact CB-CB 4.49Å; A607-A907 WeakPolarHBondContact CB-O 3.37Å | ||
| 608 | V | 97.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119.2 | -179.4 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | D604 Q606 V622 G623 S905 S906 R909 V911 | D604-V608 HydrophobicContact CB-CG2 3.79Å; Q606-V608 PolarHBondContact O-N 3.18Å; V608-V622 HydrophobicContact CG1-CG1 3.34Å; V608-G623 WeakPolarHBondContact CG1-O 3.47Å; V608-S905 WeakPolarHBondContact O-CB 3.22Å; V608-S906 PolarHBondContact N-O 3.25Å; V608-S906 VanDerWaalsContact N-O 3.1Å; V608-S906 PolarHBondContact O-N 3.17Å; V608-R909 WeakPolarHBondContact CG2-O 3.38Å; V608-V911 HydrophobicContact CB-CG2 3.91Å; V608-V911 HydrophobicContact CG1-CG2 3.35Å |
| 609 | R | 96.1 | Very high | 95.1 | Very high | 46 Ų | 46 | 33.3 Ų | 33.3 | 17% | 0.174 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -44.8 | -170.8 | -64.3 | -166.5 | 171.3 | -79.6 | 3.7 | 112.5 | G623 N625 Y664 I891 Q892 S905 | R609-G623 PolarHBondContact N-O 3.47Å; R609-G623 VanDerWaalsContact N-O 3.11Å; R609-N625 VanDerWaalsContact CD-OD1 3.23Å; R609-N625 WeakPolarHBondContact CD-OD1 3.3Å; R609-N625 WeakPolarHBondContact CG-OD1 3.38Å; R609-N625 PolarHBondContact NE-OD1 2.88Å; R609-Y664 PolarHBondContact NH2-OH 3.27Å; R609-I891 HydrophobicContact CB-CG2 4.22Å; R609-I891 HydrophobicContact CG-CD1 4.06Å; R609-Q892 WeakPolarHBondContact O-CG 3.28Å; R609-S905 PolarHBondContact O-OG 3.02Å |
| 610 | A | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130 | -159.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V622 G623 I663 V666 | A610-V622 WeakPolarHBondContact O-CA 3.5Å; A610-G623 PolarHBondContact N-O 3.31Å; A610-G623 PolarHBondContact O-N 3.09Å; A610-I663 HydrophobicContact CB-CG2 4.5Å; A610-V666 HydrophobicContact CB-CB 4.31Å; A610-V666 HydrophobicContact CB-CG1 3.81Å; A610-V666 HydrophobicContact CB-CG2 3.93Å |
| 611 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.5 | 175.4 | -72.8 | 0 | 0 | 0 | 0 | 111.5 | A621 V622 Q892 R894 L903 V911 | V611-A621 WeakPolarHBondContact CA-O 3.39Å; V611-V622 HydrophobicContact CG1-CG2 4.37Å; V611-Q892 HydrophobicContact CG2-CB 3.93Å; V611-Q892 PolarHBondContact O-OE1 3.21Å; V611-R894 HydrophobicContact CG2-CG 4.05Å; V611-R894 WeakPolarHBondContact O-CG 3.23Å; V611-R894 PolarHBondContact O-NE 3.49Å; V611-L903 HydrophobicContact CG2-CB 4.39Å; V611-V911 HydrophobicContact CG1-CB 4.46Å; V611-V911 HydrophobicContact CG1-CG1 3.91Å; V611-V911 HydrophobicContact CG1-CG2 3.6Å |
| 612 | A | 97.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 129.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y620 A621 V666 W668 | A612-Y620 CarbonylContact O-C 3.58Å; A612-Y620 WeakPolarHBondContact O-CA 3.38Å; A612-A621 PolarHBondContact N-O 3.34Å; A612-A621 VanDerWaalsContact N-O 3.16Å; A612-A621 PolarHBondContact O-N 2.95Å; A612-V666 HydrophobicContact CB-CG2 3.88Å; A612-W668 PolarHBondContact O-NE1 2.79Å |
| 613 | F | 97.5 | Very high | 96.4 | Very high | 20 Ų | 20 | 29.5 Ų | 29.5 | 9% | 0.088 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 140.9 | 166.7 | -76 | -76.8 | 0 | 0 | 0 | 110.5 | Y620 Y634 R894 W895 H896 L903 L913 | F613-Y620 HydrophobicContact CE1-CD1 4.41Å; F613-Y634 AromaticContact CE1-CD2 3.98Å; F613-Y634 HydrophobicContact CE1-CD2 3.98Å; F613-Y634 HydrophobicContact CE1-CE2 4.3Å; F613-R894 HydrophobicContact CD2-CB 4.18Å; F613-R894 HydrophobicContact CE2-CB 4.42Å; F613-R894 WeakPolarHBondContact CE2-O 3.5Å; F613-W895 WeakPolarHBondContact CD2-O 3.36Å; F613-H896 AromaticContact CD1-CD2 3.75Å; F613-H896 HydrophobicContact CD2-CB 4.43Å; F613-H896 HydrophobicContact CE1-CB 4.21Å; F613-H896 AromaticContact CE1-CD2 3.59Å; F613-H896 HydrophobicContact CE2-CB 3.94Å; F613-H896 HydrophobicContact CZ-CB 3.79Å; F613-L903 HydrophobicContact CD1-CD1 4.19Å; F613-L903 HydrophobicContact CD2-CD1 4Å; F613-L903 HydrophobicContact CE1-CD1 3.76Å; F613-L903 HydrophobicContact CE1-CG 4.18Å; F613-L903 HydrophobicContact CE2-CB 4.19Å; F613-L903 HydrophobicContact CE2-CD1 3.57Å; F613-L903 HydrophobicContact CE2-CG 3.71Å; F613-L903 HydrophobicContact CG-CD1 4.32Å; F613-L903 HydrophobicContact CZ-CB 4.41Å; F613-L903 HydrophobicContact CZ-CD1 3.46Å; F613-L903 VanDerWaalsContact CZ-CD1 3.46Å; F613-L903 HydrophobicContact CZ-CG 3.48Å; F613-L903 VanDerWaalsContact CZ-CG 3.48Å; F613-L913 HydrophobicContact CZ-CD1 4.12Å |
| 614 | H | 96.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 24 Ų | 24 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | trans | -66.1 | 145.9 | 164.5 | -178.9 | -93.2 | 0 | 0 | 0 | 109 | S616 G617 L619 W668 G672 | H614-S616 PolarHBondContact CE1-OG 3.33Å; H614-S616 PolarHBondContact ND1-N 3.07Å; H614-S616 PolarHBondContact ND1-OG 3.17Å; H614-S616 PolarHBondContact O-N 3.42Å; H614-S616 VanDerWaalsContact O-N 3.09Å; H614-G617 PolarHBondContact O-N 3.37Å; H614-L619 HydrophobicContact CB-CB 3.84Å; H614-L619 VanDerWaalsContact CB-O 3.3Å; H614-L619 WeakPolarHBondContact CB-O 3.5Å; H614-L619 PolarHBondContact N-O 3.35Å; H614-W668 HydrophobicContact CB-CD2 4.39Å; H614-W668 HydrophobicContact CB-CZ2 4.46Å; H614-W668 AromaticContact CD2-CD2 3.89Å; H614-W668 AromaticContact CD2-CE3 3.67Å; H614-W668 AromaticContact CD2-CZ3 3.78Å; H614-G672 VanDerWaalsContact NE2-CA 3.26Å; H614-G672 WeakPolarHBondContact NE2-CA 3.47Å; H614-G672 PolarHBondContact NE2-O 3.02Å | ||
| 615 | P | 93.4 | Very high | 96.5 | Very high | 47 Ų | 47 | 24.4 Ų | 24.4 | 31% | 0.305 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -34.7 | -175.5 | -28.7 | 34.7 | 0 | 0 | 0 | 114.7 | G617 W668 S669 H670 T897 | P615-G617 PolarHBondContact O-N 3.49Å; P615-W668 HydrophobicContact CG-CB 4.46Å; P615-S669 WeakPolarHBondContact CG-O 3.29Å; P615-H670 WeakPolarHBondContact CB-O 3.09Å; P615-H670 VanDerWaalsContact CG-O 3.31Å; P615-H670 WeakPolarHBondContact CG-O 3.49Å; P615-T897 PolarHBondContact O-OG1 3.48Å |
| 616 | S | 92.5 | Very high | 96.6 | Very high | 66 Ų | 66 | 20.1 Ų | 20.1 | 46% | 0.462 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -3.6 | 176.3 | 72.5 | 0 | 0 | 0 | 0 | 115.5 | H614 A618 | H614-S616 PolarHBondContact CE1-OG 3.33Å; H614-S616 PolarHBondContact ND1-N 3.07Å; H614-S616 PolarHBondContact ND1-OG 3.17Å; H614-S616 PolarHBondContact O-N 3.42Å; H614-S616 VanDerWaalsContact O-N 3.09Å; S616-A618 PolarHBondContact O-N 2.9Å |
| 617 | G | 92.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 75.4 | -31.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | H614 P615 L619 Y634 H896 | H614-G617 PolarHBondContact O-N 3.37Å; P615-G617 PolarHBondContact O-N 3.49Å; G617-L619 PolarHBondContact O-N 3.43Å; G617-Y634 WeakPolarHBondContact O-CB 3.45Å; G617-H896 WeakPolarHBondContact CA-NE2 3.47Å; G617-H896 PolarHBondContact O-NE2 3.13Å |
| 618 | A | 92.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 19.5 Ų | 19.5 | 46% | 0.455 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -62.7 | -17.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116 | S616 Y634 | S616-A618 PolarHBondContact O-N 2.9Å; A618-Y634 WeakPolarHBondContact O-CB 3.47Å; A618-Y634 PolarHBondContact O-N 3.22Å |
| 619 | L | 95.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 19.5 Ų | 19.5 | 5% | 0.052 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 157.3 | -178.5 | -62.1 | 176.4 | 0 | 0 | 0 | 110.9 | H614 G617 V631 C632 A633 R652 F689 A691 | H614-L619 HydrophobicContact CB-CB 3.84Å; H614-L619 VanDerWaalsContact CB-O 3.3Å; H614-L619 WeakPolarHBondContact CB-O 3.5Å; H614-L619 PolarHBondContact N-O 3.35Å; G617-L619 PolarHBondContact O-N 3.43Å; L619-V631 HydrophobicContact CB-CG1 3.96Å; L619-V631 HydrophobicContact CD1-CG1 4.23Å; L619-V631 HydrophobicContact CD2-CG1 4.46Å; L619-V631 HydrophobicContact CG-CG1 4.46Å; L619-C632 CarbonylContact C-O 3.56Å; L619-C632 WeakPolarHBondContact CA-O 3.48Å; L619-A633 HydrophobicContact CD2-CB 4.34Å; L619-R652 HydrophobicContact CD2-CG 4.41Å; L619-F689 HydrophobicContact CD1-CE1 4.1Å; L619-A691 HydrophobicContact CD1-CB 4.02Å |
| 620 | Y | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 141.1 | 167.9 | 61.6 | -84.7 | 0 | 0 | 0 | 112.5 | A612 F613 V622 V631 C632 P649 L903 V911 | A612-Y620 CarbonylContact O-C 3.58Å; A612-Y620 WeakPolarHBondContact O-CA 3.38Å; F613-Y620 HydrophobicContact CE1-CD1 4.41Å; Y620-V622 HydrophobicContact CD2-CG2 3.75Å; Y620-V622 HydrophobicContact CE2-CG2 3.83Å; Y620-V631 CarbonylContact O-C 3.55Å; Y620-V631 WeakPolarHBondContact O-CA 3.38Å; Y620-C632 HydrophobicContact CD1-CB 4.18Å; Y620-C632 HydrophobicContact CD2-CB 4.14Å; Y620-C632 HydrophobicContact CE1-CB 3.7Å; Y620-C632 HydrophobicContact CE2-CB 3.68Å; Y620-C632 HydrophobicContact CG-CB 4.38Å; Y620-C632 VanDerWaalsContact CZ-CB 3.45Å; Y620-C632 PolarHBondContact N-O 3.22Å; Y620-C632 PolarHBondContact O-N 3.2Å; Y620-P649 WeakPolarHBondContact OH-CB 3.45Å; Y620-P649 WeakPolarHBondContact OH-CG 3.36Å; Y620-L903 HydrophobicContact CD1-CD1 4.35Å; Y620-L903 HydrophobicContact CD2-CD1 3.52Å; Y620-L903 HydrophobicContact CD2-CD2 4.05Å; Y620-L903 HydrophobicContact CD2-CG 4.47Å; Y620-L903 HydrophobicContact CE2-CD1 4.19Å; Y620-L903 HydrophobicContact CE2-CD2 3.84Å; Y620-L903 HydrophobicContact CG-CD1 3.6Å; Y620-V911 HydrophobicContact CE2-CG1 4.43Å |
| 621 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 146.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | V611 A612 R630 V666 W668 L675 | V611-A621 WeakPolarHBondContact CA-O 3.39Å; A612-A621 PolarHBondContact N-O 3.34Å; A612-A621 VanDerWaalsContact N-O 3.16Å; A612-A621 PolarHBondContact O-N 2.95Å; A621-R630 CarbonylContact C-O 3.58Å; A621-R630 WeakPolarHBondContact CA-O 3.47Å; A621-V666 HydrophobicContact CB-CG2 4.28Å; A621-W668 HydrophobicContact CB-CZ2 3.91Å; A621-L675 HydrophobicContact CB-CD1 3.82Å; A621-L675 HydrophobicContact CB-CD2 4.22Å |
| 622 | V | 98.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 18.9 Ų | 18.9 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 122.6 | -179.9 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | L602 V608 A610 V611 Y620 R630 V911 | L602-V622 HydrophobicContact CD2-CB 4.32Å; L602-V622 HydrophobicContact CD2-CG1 4.11Å; L602-V622 HydrophobicContact CD2-CG2 4.05Å; V608-V622 HydrophobicContact CG1-CG1 3.34Å; A610-V622 WeakPolarHBondContact O-CA 3.5Å; V611-V622 HydrophobicContact CG1-CG2 4.37Å; Y620-V622 HydrophobicContact CD2-CG2 3.75Å; Y620-V622 HydrophobicContact CE2-CG2 3.83Å; V622-R630 HydrophobicContact CB-CB 4.47Å; V622-R630 PolarHBondContact N-O 2.88Å; V622-R630 PolarHBondContact O-N 3.26Å; V622-V911 HydrophobicContact CG1-CG2 4.01Å |
| 623 | G | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V608 R609 A610 | V608-G623 WeakPolarHBondContact CG1-O 3.47Å; R609-G623 PolarHBondContact N-O 3.47Å; R609-G623 VanDerWaalsContact N-O 3.11Å; A610-G623 PolarHBondContact N-O 3.31Å; A610-G623 PolarHBondContact O-N 3.09Å |
| 624 | S | 98 | Very high | 96.3 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 160.5 | -169.5 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | S626 K627 T628 I663 | S624-S626 PolarHBondContact O-N 3.08Å; S624-S626 PolarHBondContact OG-OG 3.43Å; S624-K627 PolarHBondContact O-N 3.36Å; S624-T628 PolarHBondContact N-O 3.35Å; S624-T628 WeakPolarHBondContact OG-CB 3.43Å; S624-T628 PolarHBondContact OG-N 3.25Å; S624-T628 PolarHBondContact OG-O 3.22Å; S624-I663 PolarHBondContact O-N 2.78Å |
| 625 | N | 98.1 | Very high | 95.8 | Very high | 21 Ų | 21 | 19.6 Ų | 19.6 | 11% | 0.112 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -23.8 | 174.5 | -77 | -5 | 0 | 0 | 0 | 113.3 | Q606 A607 R609 K627 S662 | Q606-N625 HydrophobicContact CB-CB 3.77Å; Q606-N625 VanDerWaalsContact OE1-C 3.28Å; Q606-N625 PolarHBondContact OE1-O 3.1Å; A607-N625 WeakPolarHBondContact O-CB 3.4Å; A607-N625 PolarHBondContact O-N 2.64Å; R609-N625 VanDerWaalsContact CD-OD1 3.23Å; R609-N625 WeakPolarHBondContact CD-OD1 3.3Å; R609-N625 WeakPolarHBondContact CG-OD1 3.38Å; R609-N625 PolarHBondContact NE-OD1 2.88Å; N625-K627 PolarHBondContact O-N 2.95Å; N625-S662 PolarHBondContact O-OG 3.02Å |
| 626 | S | 97.4 | Very high | 94.6 | Very high | 20 Ų | 20 | 25.8 Ų | 25.8 | 14% | 0.14 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 7.3 | 172.9 | 75.6 | 0 | 0 | 0 | 0 | 114 | D604 T605 S624 T628 | D604-S626 WeakPolarHBondContact OD1-CB 3.4Å; D604-S626 PolarHBondContact OD1-OG 2.91Å; T605-S626 WeakPolarHBondContact OG1-CB 3.47Å; S624-S626 PolarHBondContact O-N 3.08Å; S624-S626 PolarHBondContact OG-OG 3.43Å; S626-T628 PolarHBondContact O-N 2.58Å; S626-T628 PolarHBondContact O-OG1 3.28Å; S626-T628 WeakPolarHBondContact OG-CB 3.41Å; S626-T628 PolarHBondContact OG-OG1 3.15Å |
| 627 | K | 97.6 | Very high | 93.2 | Very high | 83 Ų | 83 | 31 Ų | 31 | 36% | 0.361 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 67.1 | 20.8 | 178.7 | -32.5 | -173.3 | -177.9 | -176.4 | 0 | 112.3 | S624 N625 K657 H658 K660 G661 | S624-K627 PolarHBondContact O-N 3.36Å; N625-K627 PolarHBondContact O-N 2.95Å; K627-K657 WeakPolarHBondContact O-CA 3.13Å; K627-K657 PolarHBondContact O-N 3.49Å; K627-K657 VanDerWaalsContact O-N 3.15Å; K627-H658 PolarHBondContact O-N 2.93Å; K627-K660 WeakPolarHBondContact CD-O 3.44Å; K627-K660 VanDerWaalsContact CE-O 3.31Å; K627-K660 WeakPolarHBondContact CE-O 3.45Å; K627-K660 PolarHBondContact NZ-O 3.47Å; K627-G661 WeakPolarHBondContact CB-O 3.48Å; K627-G661 WeakPolarHBondContact CG-O 3.43Å |
| 628 | T | 97.6 | Very high | 91.7 | Very high | 10 Ų | 10 | 33 Ų | 33 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | trans | -102 | 124.3 | -176.7 | -51.7 | 0 | 0 | 0 | 0 | 109.7 | S624 S626 R630 K654 R655 | S624-T628 PolarHBondContact N-O 3.35Å; S624-T628 WeakPolarHBondContact OG-CB 3.43Å; S624-T628 PolarHBondContact OG-N 3.25Å; S624-T628 PolarHBondContact OG-O 3.22Å; S626-T628 PolarHBondContact O-N 2.58Å; S626-T628 PolarHBondContact O-OG1 3.28Å; S626-T628 WeakPolarHBondContact OG-CB 3.41Å; S626-T628 PolarHBondContact OG-OG1 3.15Å; T628-R630 HydrophobicContact CG2-CG 3.89Å; T628-K654 HydrophobicContact CG2-CD 4.46Å; T628-K654 HydrophobicContact CG2-CG 4.07Å; T628-R655 WeakPolarHBondContact CA-O 3.33Å | ||
| 629 | L | 98.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.5 | 165.9 | -179.3 | 62.5 | 0 | 0 | 0 | 108.6 | F653 K654 R655 H658 I663 V666 L675 T677 L687 | L629-F653 HydrophobicContact CD2-CE1 4.37Å; L629-K654 WeakPolarHBondContact O-CA 3.3Å; L629-R655 PolarHBondContact N-O 3.04Å; L629-R655 PolarHBondContact O-N 2.8Å; L629-H658 HydrophobicContact CB-CB 4.09Å; L629-I663 HydrophobicContact CB-CD1 4.04Å; L629-V666 HydrophobicContact CD1-CG1 4.32Å; L629-L675 HydrophobicContact CD1-CD2 4.3Å; L629-L675 HydrophobicContact CD2-CD2 3.93Å; L629-L675 HydrophobicContact CG-CD2 4.45Å; L629-T677 HydrophobicContact CD1-CG2 3.88Å; L629-T677 HydrophobicContact CD2-CG2 3.94Å; L629-L687 HydrophobicContact CD2-CD2 4.43Å |
| 630 | R | 97.9 | Very high | 87.3 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 13% | 0.128 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.5 | 172.6 | -52.2 | -170.9 | -166.3 | -163.7 | 10.5 | 110.1 | D604 A621 V622 T628 V651 F653 K654 | D604-R630 IonicContact OD2-CZ 2.75Å; D604-R630 IonicContact OD2-NE 2.69Å; D604-R630 PolarHBondContact OD2-NE 3.46Å; D604-R630 IonicContact OD2-NH2 3.36Å; D604-R630 PolarHBondContact OD2-NH2 3.32Å; A621-R630 CarbonylContact C-O 3.58Å; A621-R630 WeakPolarHBondContact CA-O 3.47Å; V622-R630 HydrophobicContact CB-CB 4.47Å; V622-R630 PolarHBondContact N-O 2.88Å; V622-R630 PolarHBondContact O-N 3.26Å; T628-R630 HydrophobicContact CG2-CG 3.89Å; R630-V651 HydrophobicContact CB-CG1 4.22Å; R630-F653 CarbonylContact C-O 3.5Å; R630-F653 VanDerWaalsContact CA-O 3.29Å; R630-F653 WeakPolarHBondContact CA-O 3.41Å; R630-K654 HydrophobicContact CG-CG 4.27Å |
| 631 | V | 97.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.1 | 163.5 | -172 | 0 | 0 | 0 | 0 | 108 | L619 Y620 R652 F653 W668 L675 F689 | L619-V631 HydrophobicContact CB-CG1 3.96Å; L619-V631 HydrophobicContact CD1-CG1 4.23Å; L619-V631 HydrophobicContact CD2-CG1 4.46Å; L619-V631 HydrophobicContact CG-CG1 4.46Å; Y620-V631 CarbonylContact O-C 3.55Å; Y620-V631 WeakPolarHBondContact O-CA 3.38Å; V631-R652 PolarHBondContact O-N 2.85Å; V631-F653 HydrophobicContact CB-CB 3.91Å; V631-F653 HydrophobicContact CG2-CB 4.11Å; V631-F653 HydrophobicContact CG2-CD1 4.13Å; V631-F653 PolarHBondContact N-O 2.96Å; V631-F653 PolarHBondContact O-N 3.43Å; V631-F653 VanDerWaalsContact O-N 3.1Å; V631-W668 HydrophobicContact CG1-CH2 4.43Å; V631-W668 HydrophobicContact CG1-CZ2 4.08Å; V631-W668 HydrophobicContact CG2-CH2 4.23Å; V631-W668 HydrophobicContact CG2-CZ2 4.1Å; V631-L675 HydrophobicContact CG2-CD2 3.99Å; V631-F689 HydrophobicContact CB-CZ 4.22Å; V631-F689 HydrophobicContact CG1-CZ 4.17Å; V631-F689 HydrophobicContact CG2-CE2 4.05Å; V631-F689 HydrophobicContact CG2-CZ 4.03Å |
| 632 | C | 96.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 149.6 | -175.6 | -56.7 | 0 | 0 | 0 | 0 | 110 | L619 Y620 P649 V650 | L619-C632 CarbonylContact C-O 3.56Å; L619-C632 WeakPolarHBondContact CA-O 3.48Å; Y620-C632 HydrophobicContact CD1-CB 4.18Å; Y620-C632 HydrophobicContact CD2-CB 4.14Å; Y620-C632 HydrophobicContact CE1-CB 3.7Å; Y620-C632 HydrophobicContact CE2-CB 3.68Å; Y620-C632 HydrophobicContact CG-CB 4.38Å; Y620-C632 VanDerWaalsContact CZ-CB 3.45Å; Y620-C632 PolarHBondContact N-O 3.22Å; Y620-C632 PolarHBondContact O-N 3.2Å; C632-P649 HydrophobicContact CB-CB 4.32Å; C632-V650 WeakPolarHBondContact CA-O 3.48Å |
| 633 | A | 94.3 | Very high | 79.9 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 140 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L619 V650 R652 | L619-A633 HydrophobicContact CD2-CB 4.34Å; A633-V650 HydrophobicContact CB-CB 4.4Å; A633-V650 PolarHBondContact N-O 3.48Å; A633-R652 HydrophobicContact CB-CG 4.01Å |
| 634 | Y | 92.4 | Very high | 77.7 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 9% | 0.09 | 33% | 0.334 | C | S | . | . | trans | -75.2 | 141.7 | 165.1 | -170.3 | -101.4 | 0 | 0 | 0 | 109.8 | F613 G617 A618 E636 L638 H896 D899 S901 L913 | F613-Y634 AromaticContact CE1-CD2 3.98Å; F613-Y634 HydrophobicContact CE1-CD2 3.98Å; F613-Y634 HydrophobicContact CE1-CE2 4.3Å; G617-Y634 WeakPolarHBondContact O-CB 3.45Å; A618-Y634 WeakPolarHBondContact O-CB 3.47Å; A618-Y634 PolarHBondContact O-N 3.22Å; Y634-E636 PolarHBondContact O-N 2.98Å; Y634-L638 HydrophobicContact CE1-CD1 4.29Å; Y634-H896 AromaticContact CE1-NE2 4Å; Y634-H896 AromaticContact CE2-CD2 3.83Å; Y634-D899 WeakPolarHBondContact CE1-OD2 3.04Å; Y634-D899 WeakPolarHBondContact OH-CB 3.29Å; Y634-D899 PolarHBondContact OH-OD2 3.25Å; Y634-S901 PolarHBondContact OH-OG 2.67Å; Y634-L913 HydrophobicContact CD2-CD1 4.43Å; Y634-L913 HydrophobicContact CD2-CD2 4.01Å; Y634-L913 HydrophobicContact CE2-CD1 3.97Å; Y634-L913 HydrophobicContact CE2-CD2 3.89Å | ||
| 635 | P | 85.6 | Confident | 75.9 | Confident | 22 Ų | 22 | 64.7 Ų | 64.7 | 14% | 0.143 | 37% | 0.367 | C | S | . | . | trans | -73 | 115.7 | -177 | 26 | -32.7 | 0 | 0 | 0 | 113.4 | V599 K637 L638 L913 | V599-P635 HydrophobicContact CG1-CG 4.47Å; P635-K637 VanDerWaalsContact C-N 3.32Å; P635-K637 PolarHBondContact O-N 3.45Å; P635-L638 HydrophobicContact CB-CD2 4.38Å; P635-L638 HydrophobicContact CB-CG 4.27Å; P635-L638 HydrophobicContact CG-CD1 4.27Å; P635-L638 HydrophobicContact CG-CD2 3.72Å; P635-L638 HydrophobicContact CG-CG 3.97Å; P635-L913 HydrophobicContact CG-CD2 4.12Å | ||
| 636 | E | 68.8 | Low | 74.7 | Confident | 176 Ų | 176 | 67.3 Ų | 67.3 | 82% | 0.822 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -64.3 | -29 | 176.5 | -64.7 | 169.4 | -159.9 | 0 | 0 | 114.3 | Y634 | Y634-E636 PolarHBondContact O-N 2.98Š|
| 637 | K | 63.6 | Low | 74 | Confident | 176 Ų | 176 | 72.3 Ų | 72.3 | 77% | 0.765 | 40% | 0.402 | S | S | * | . | trans | -129.5 | 97.5 | -179.6 | -69.7 | -174.7 | -178 | 177.4 | 0 | 111.3 | P635 N639 | P635-K637 VanDerWaalsContact C-N 3.32Å; P635-K637 PolarHBondContact O-N 3.45Å; K637-N639 VanDerWaalsContact C-N 3.27Å; K637-N639 PolarHBondContact O-N 3.47Å | ||
| 638 | L | 61.1 | Low | 73.5 | Confident | 43 Ų | 43 | 75.6 Ų | 75.6 | 23% | 0.225 | 42% | 0.419 | C | S | . | . | trans | -83.7 | 66.1 | 177.7 | -73.4 | 138.4 | 0 | 0 | 0 | 110.8 | V599 Y634 P635 S640 R915 | V599-L638 HydrophobicContact CG1-CD2 3.71Å; V599-L638 HydrophobicContact CG2-CD2 4.13Å; Y634-L638 HydrophobicContact CE1-CD1 4.29Å; P635-L638 HydrophobicContact CB-CD2 4.38Å; P635-L638 HydrophobicContact CB-CG 4.27Å; P635-L638 HydrophobicContact CG-CD1 4.27Å; P635-L638 HydrophobicContact CG-CD2 3.72Å; P635-L638 HydrophobicContact CG-CG 3.97Å; L638-S640 PolarHBondContact O-N 3.02Å; L638-R915 VanDerWaalsContact CD1-NH1 3.27Å | ||
| 639 | N | 49.8 | Very low | 73.2 | Confident | 141 Ų | 141 | 75.5 Ų | 75.5 | 75% | 0.754 | 42% | 0.419 | S | S | * | . | trans | -68.7 | 118 | 177.7 | -79.4 | 2.8 | 0 | 0 | 0 | 110.9 | K637 S641 | K637-N639 VanDerWaalsContact C-N 3.27Å; K637-N639 PolarHBondContact O-N 3.47Å; N639-S641 PolarHBondContact O-N 3.27Å | ||
| 640 | S | 47 | Very low | 72.9 | Confident | 120 Ų | 120 | 79.7 Ų | 79.7 | 84% | 0.839 | 44% | 0.444 | S | S | * | . | trans | -72.2 | 116.6 | -176.1 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | L638 | L638-S640 PolarHBondContact O-N 3.02Š| ||
| 641 | S | 46.9 | Very low | 72.7 | Confident | 63 Ų | 63 | 80.6 Ų | 80.6 | 44% | 0.441 | 45% | 0.453 | S | S | . | . | trans | -134.6 | 120.2 | 148.3 | 177.2 | 0 | 0 | 0 | 0 | 108 | N639 S643 S644 | N639-S641 PolarHBondContact O-N 3.27Å; S641-S643 PolarHBondContact O-N 3.39Å; S641-S643 PolarHBondContact OG-N 3.2Å; S641-S643 PolarHBondContact OG-OG 3.19Å; S641-S644 PolarHBondContact O-N 3.47Å; S641-S644 PolarHBondContact O-OG 3.11Å | ||
| 642 | V | 47.4 | Very low | 72.6 | Confident | 141 Ų | 141 | 87 Ų | 87 | 86% | 0.855 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -2.7 | -179.1 | -176.3 | 0 | 0 | 0 | 0 | 112 | ||
| 643 | S | 44.3 | Very low | 72.6 | Confident | 106 Ų | 106 | 88 Ų | 88 | 74% | 0.741 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.3 | 8 | -179.8 | 66.3 | 0 | 0 | 0 | 0 | 115.3 | S641 | S641-S643 PolarHBondContact O-N 3.39Å; S641-S643 PolarHBondContact OG-N 3.2Å; S641-S643 PolarHBondContact OG-OG 3.19Å |
| 644 | S | 50.2 | Low | 72.7 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -79.5 | 134.2 | 175.5 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | S641 | S641-S644 PolarHBondContact O-N 3.47Å; S641-S644 PolarHBondContact O-OG 3.11Å |
| 645 | P | 62.3 | Low | 72.8 | Confident | 109 Ų | 109 | 95.1 Ų | 95.1 | 71% | 0.708 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 147.4 | 176.2 | 26.2 | -34.7 | 0 | 0 | 0 | 111.2 | K647 | P645-K647 PolarHBondContact O-N 2.78Š|
| 646 | T | 72.8 | Confident | 73.3 | Confident | 75 Ų | 75 | 98.9 Ų | 98.9 | 46% | 0.46 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 119.7 | 176.4 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | P598 | P598-T646 HydrophobicContact CB-CG2 3.97Å; P598-T646 HydrophobicContact CG-CG2 4.08Å |
| 647 | K | 82.9 | Confident | 74.6 | Confident | 125 Ų | 125 | 99.1 Ų | 99.1 | 54% | 0.543 | 53% | 0.526 | S | S | . | . | B | Isolated β-bridge | trans | -84.5 | 147.5 | -175.9 | -60.9 | 173.4 | -175.2 | 168.9 | 0 | 110.2 | V599 H600 S601 P645 | V599-K647 PolarHBondContact O-N 2.75Å; H600-K647 WeakPolarHBondContact CA-O 3.36Å; S601-K647 PolarHBondContact N-O 3.44Å; S601-K647 VanDerWaalsContact N-O 3.11Å; P645-K647 PolarHBondContact O-N 2.78Å |
| 648 | Q | 85.9 | Confident | 76.1 | Confident | 152 Ų | 152 | 90.9 Ų | 90.9 | 71% | 0.71 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 135.4 | 167.5 | -70.4 | -165.6 | -0.4 | 0 | 0 | 109.7 | ||
| 649 | P | 90.9 | Very high | 77.9 | Confident | 9 Ų | 9 | 89 Ų | 89 | 6% | 0.058 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 152 | 179 | 30.1 | -34.2 | 0 | 0 | 0 | 111.4 | H600 S601 L602 Y620 C632 V651 | H600-P649 HydrophobicContact CB-CB 4.15Å; H600-P649 HydrophobicContact CB-CG 4.49Å; S601-P649 VanDerWaalsContact O-CD 3.31Å; S601-P649 WeakPolarHBondContact O-CD 3.33Å; L602-P649 HydrophobicContact CB-CG 3.79Å; L602-P649 HydrophobicContact CD1-CG 4.21Å; L602-P649 HydrophobicContact CG-CG 4.46Å; Y620-P649 WeakPolarHBondContact OH-CB 3.45Å; Y620-P649 WeakPolarHBondContact OH-CG 3.36Å; C632-P649 HydrophobicContact CB-CB 4.32Å; P649-V651 PolarHBondContact O-N 2.88Å |
| 650 | V | 92 | Very high | 80.1 | Confident | 88 Ų | 88 | 89.8 Ų | 89.8 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | trans | -72.8 | 102.8 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | C632 A633 R652 | C632-V650 WeakPolarHBondContact CA-O 3.48Å; A633-V650 HydrophobicContact CB-CB 4.4Å; A633-V650 PolarHBondContact N-O 3.48Å; V650-R652 PolarHBondContact O-N 3.48Å | ||
| 651 | V | 94.9 | Very high | 82.5 | Confident | 53 Ų | 53 | 84.4 Ų | 84.4 | 32% | 0.321 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 113.9 | 172.3 | -177.3 | 0 | 0 | 0 | 0 | 108.6 | L602 R630 P649 F653 K654 | L602-V651 HydrophobicContact CD1-CG2 4.27Å; R630-V651 HydrophobicContact CB-CG1 4.22Å; P649-V651 PolarHBondContact O-N 2.88Å; V651-F653 VanDerWaalsContact CG1-O 3.27Å; V651-F653 WeakPolarHBondContact CG1-O 3.37Å; V651-K654 HydrophobicContact CG1-CB 4.06Å |
| 652 | R | 94.7 | Very high | 84.9 | Confident | 134 Ų | 134 | 82.3 Ų | 82.3 | 51% | 0.506 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -35.9 | 179.6 | -62.8 | -64.3 | -169.3 | 113.7 | 3.7 | 112.3 | L619 V631 A633 V650 C694 | L619-R652 HydrophobicContact CD2-CG 4.41Å; V631-R652 PolarHBondContact O-N 2.85Å; A633-R652 HydrophobicContact CB-CG 4.01Å; V650-R652 PolarHBondContact O-N 3.48Å; R652-C694 HydrophobicContact CB-CB 3.72Å; R652-C694 HydrophobicContact CG-CB 4.49Å |
| 653 | F | 96.6 | Very high | 87.4 | Confident | 20 Ų | 20 | 75.6 Ų | 75.6 | 9% | 0.088 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.1 | 175.9 | -178.2 | -99 | 0 | 0 | 0 | 110.3 | L629 R630 V631 V651 R655 L687 F689 N695 | L629-F653 HydrophobicContact CD2-CE1 4.37Å; R630-F653 CarbonylContact C-O 3.5Å; R630-F653 VanDerWaalsContact CA-O 3.29Å; R630-F653 WeakPolarHBondContact CA-O 3.41Å; V631-F653 HydrophobicContact CB-CB 3.91Å; V631-F653 HydrophobicContact CG2-CB 4.11Å; V631-F653 HydrophobicContact CG2-CD1 4.13Å; V631-F653 PolarHBondContact N-O 2.96Å; V631-F653 PolarHBondContact O-N 3.43Å; V631-F653 VanDerWaalsContact O-N 3.1Å; V651-F653 VanDerWaalsContact CG1-O 3.27Å; V651-F653 WeakPolarHBondContact CG1-O 3.37Å; F653-R655 HydrophobicContact CE1-CB 3.85Å; F653-R655 HydrophobicContact CZ-CB 4.07Å; F653-L687 HydrophobicContact CE1-CD2 4.02Å; F653-L687 HydrophobicContact CZ-CD2 3.92Å; F653-F689 HydrophobicContact CB-CE2 4.04Å; F653-F689 HydrophobicContact CB-CZ 4.44Å; F653-F689 HydrophobicContact CD1-CE2 4.37Å; F653-F689 HydrophobicContact CD2-CE2 4.16Å; F653-F689 AromaticContact CG-CE2 3.95Å; F653-F689 HydrophobicContact CG-CE2 3.95Å; F653-N695 WeakPolarHBondContact CE2-OD1 3.2Å |
| 654 | K | 96.4 | Very high | 89.9 | Confident | 106 Ų | 106 | 72.5 Ų | 72.5 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 125.8 | 174.1 | 176.5 | 169.4 | 173.3 | 174.1 | 0 | 110.8 | T628 L629 R630 V651 N656 | T628-K654 HydrophobicContact CG2-CD 4.46Å; T628-K654 HydrophobicContact CG2-CG 4.07Å; L629-K654 WeakPolarHBondContact O-CA 3.3Å; R630-K654 HydrophobicContact CG-CG 4.27Å; V651-K654 HydrophobicContact CG1-CB 4.06Å; K654-N656 WeakPolarHBondContact CE-OD1 3.5Å |
| 655 | R | 95.9 | Very high | 92.2 | Very high | 79 Ų | 79 | 69.7 Ų | 69.7 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 107.1 | 174.4 | -168 | 163 | 176.9 | -179.2 | -9.8 | 109.9 | T628 L629 F653 H658 D700 | T628-R655 WeakPolarHBondContact CA-O 3.33Å; L629-R655 PolarHBondContact N-O 3.04Å; L629-R655 PolarHBondContact O-N 2.8Å; F653-R655 HydrophobicContact CE1-CB 3.85Å; F653-R655 HydrophobicContact CZ-CB 4.07Å; R655-H658 WeakPolarHBondContact CD-ND1 3.46Å; R655-H658 HydrophobicContact CG-CB 4.24Å; R655-D700 IonicContact CZ-OD1 3.73Å; R655-D700 VanDerWaalsContact CZ-OD1 3.31Å; R655-D700 IonicContact CZ-OD2 2.74Å; R655-D700 VanDerWaalsContact CZ-OD2 3.25Å; R655-D700 IonicContact NH1-OD1 3.76Å; R655-D700 PolarHBondContact NH1-OD1 3.18Å; R655-D700 IonicContact NH1-OD2 3.05Å; R655-D700 PolarHBondContact NH1-OD2 2.78Å; R655-D700 VanDerWaalsContact NH2-CG 3.26Å; R655-D700 IonicContact NH2-OD1 3.34Å; R655-D700 PolarHBondContact NH2-OD1 2.82Å; R655-D700 IonicContact NH2-OD2 3.56Å; R655-D700 PolarHBondContact NH2-OD2 3.32Å |
| 656 | N | 95.8 | Very high | 93.9 | Very high | 101 Ų | 101 | 64.7 Ų | 64.7 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 147.7 | 172.8 | -58 | -43.4 | 0 | 0 | 0 | 109.4 | K654 H658 | K654-N656 WeakPolarHBondContact CE-OD1 3.5Å; N656-H658 PolarHBondContact O-N 3.06Å |
| 657 | K | 94.6 | Very high | 95.1 | Very high | 181 Ų | 181 | 61.6 Ų | 61.6 | 79% | 0.787 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 39.3 | -179.9 | -54.6 | 179.4 | 179.8 | 178.9 | 0 | 112.6 | K627 H659 | K627-K657 WeakPolarHBondContact O-CA 3.13Å; K627-K657 PolarHBondContact O-N 3.49Å; K627-K657 VanDerWaalsContact O-N 3.15Å; K657-H659 VanDerWaalsContact C-N 3.27Å; K657-H659 PolarHBondContact O-N 2.87Å |
| 658 | H | 96.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -60.3 | -41.3 | 178.9 | -176.4 | 52.2 | 0 | 0 | 0 | 111.1 | K627 L629 R655 N656 I663 T677 K685 D700 | K627-H658 PolarHBondContact O-N 2.93Å; L629-H658 HydrophobicContact CB-CB 4.09Å; R655-H658 WeakPolarHBondContact CD-ND1 3.46Å; R655-H658 HydrophobicContact CG-CB 4.24Å; N656-H658 PolarHBondContact O-N 3.06Å; H658-I663 HydrophobicContact CB-CD1 4.44Å; H658-T677 PolarHBondContact CD2-OG1 3.14Å; H658-T677 VanDerWaalsContact CD2-OG1 3.32Å; H658-T677 PolarHBondContact NE2-OG1 3.02Å; H658-K685 VanDerWaalsContact O-CE 3.25Å; H658-K685 WeakPolarHBondContact O-CE 3.29Å; H658-K685 PolarHBondContact O-NZ 3.31Å; H658-D700 IonicContact CE1-OD2 3.42Å |
| 659 | H | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -111.2 | 160.7 | 169.4 | -79.6 | -92 | 0 | 0 | 0 | 111.4 | K657 G661 T677 S679 D681 Y683 | K657-H659 VanDerWaalsContact C-N 3.27Å; K657-H659 PolarHBondContact O-N 2.87Å; H659-G661 WeakPolarHBondContact CB-O 3.47Å; H659-T677 PolarHBondContact NE2-O 2.96Å; H659-T677 PolarHBondContact NE2-OG1 3.46Å; H659-S679 VanDerWaalsContact CG-CB 3.47Å; H659-S679 WeakPolarHBondContact ND1-CB 3.27Å; H659-S679 PolarHBondContact ND1-OG 3.46Å; H659-D681 VanDerWaalsContact CB-OD2 3.31Å; H659-D681 WeakPolarHBondContact CB-OD2 3.06Å; H659-D681 IonicContact CG-OD1 3.37Å; H659-D681 IonicContact CG-OD2 3.6Å; H659-D681 IonicContact ND1-OD1 2.7Å; H659-D681 PolarHBondContact ND1-OD1 2.81Å; H659-D681 VanDerWaalsContact ND1-OD1 3.13Å; H659-D681 IonicContact ND1-OD2 3.6Å; H659-D681 PolarHBondContact ND1-OD2 2.7Å; H659-Y683 PolarHBondContact CE1-O 2.83Å; H659-Y683 VanDerWaalsContact CE1-O 3.28Å |
| 660 | K | 96.6 | Very high | 96 | Very high | 158 Ų | 158 | 53.7 Ų | 53.7 | 69% | 0.687 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -70.1 | -26.5 | 163.5 | -62.3 | 172.8 | -176.8 | 167 | 0 | 110.4 | K627 D681 | K627-K660 WeakPolarHBondContact CD-O 3.44Å; K627-K660 VanDerWaalsContact CE-O 3.31Å; K627-K660 WeakPolarHBondContact CE-O 3.45Å; K627-K660 PolarHBondContact NZ-O 3.47Å; K660-D681 WeakPolarHBondContact CA-OD2 3.33Å; K660-D681 HydrophobicContact CB-CB 3.98Å; K660-D681 WeakPolarHBondContact CB-OD2 3.47Å; K660-D681 PolarHBondContact N-OD2 3.36Å |
| 661 | G | 96.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 53 Ų | 53 | 6% | 0.062 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -104 | -177.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K627 H659 N680 D681 | K627-G661 WeakPolarHBondContact CB-O 3.48Å; K627-G661 WeakPolarHBondContact CG-O 3.43Å; H659-G661 WeakPolarHBondContact CB-O 3.47Å; G661-N680 WeakPolarHBondContact CA-OD1 3.31Å; G661-D681 PolarHBondContact N-OD2 3.04Å |
| 662 | S | 98.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | trans | -77.5 | 140.3 | 171.9 | -65.8 | 0 | 0 | 0 | 0 | 110.5 | N625 Y664 S679 N680 | N625-S662 PolarHBondContact O-OG 3.02Å; S662-Y664 WeakPolarHBondContact O-CD2 3.21Å; S662-S679 VanDerWaalsContact O-CA 3.28Å; S662-S679 WeakPolarHBondContact O-CA 3.25Å; S662-S679 WeakPolarHBondContact O-CB 3.43Å; S662-S679 PolarHBondContact O-OG 2.85Å; S662-N680 PolarHBondContact N-OD1 2.84Å; S662-N680 PolarHBondContact O-N 3.16Å | ||
| 663 | I | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.1 | 179.5 | -52.3 | 177.9 | 0 | 0 | 0 | 109 | A610 S624 L629 H658 V666 | A610-I663 HydrophobicContact CB-CG2 4.5Å; S624-I663 PolarHBondContact O-N 2.78Å; L629-I663 HydrophobicContact CB-CD1 4.04Å; H658-I663 HydrophobicContact CB-CD1 4.44Å; I663-V666 HydrophobicContact CG2-CG1 3.81Å |
| 664 | Y | 98.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 16% | 0.161 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -31.2 | -177.4 | -90.4 | -96.5 | 0 | 0 | 0 | 113.4 | R609 S662 G678 N680 T709 I710 | R609-Y664 PolarHBondContact NH2-OH 3.27Å; S662-Y664 WeakPolarHBondContact O-CD2 3.21Å; Y664-G678 PolarHBondContact N-O 2.73Å; Y664-N680 HydrophobicContact CD2-CB 4.08Å; Y664-N680 HydrophobicContact CE2-CB 3.75Å; Y664-T709 HydrophobicContact CD1-CG2 4.24Å; Y664-T709 HydrophobicContact CD2-CG2 3.87Å; Y664-T709 HydrophobicContact CE1-CG2 4.47Å; Y664-T709 HydrophobicContact CE2-CG2 4.14Å; Y664-T709 HydrophobicContact CG-CG2 3.94Å; Y664-I710 VanDerWaalsContact CB-O 3.3Å; Y664-I710 WeakPolarHBondContact CB-O 3.48Å |
| 665 | C | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 150.2 | -178.7 | 46.8 | 0 | 0 | 0 | 0 | 111.3 | T677 G678 R711 L713 | C665-T677 WeakPolarHBondContact O-CA 3.24Å; C665-G678 PolarHBondContact N-O 2.83Å; C665-G678 PolarHBondContact O-N 3.43Å; C665-G678 VanDerWaalsContact SG-CA 3.56Å; C665-R711 WeakPolarHBondContact CB-O 3.46Å; C665-L713 HydrophobicContact CB-CG 4.4Å |
| 666 | V | 98.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143.5 | 174.6 | -58.2 | 0 | 0 | 0 | 0 | 109.2 | A610 A612 A621 L629 I663 A676 T677 | A610-V666 HydrophobicContact CB-CB 4.31Å; A610-V666 HydrophobicContact CB-CG1 3.81Å; A610-V666 HydrophobicContact CB-CG2 3.93Å; A612-V666 HydrophobicContact CB-CG2 3.88Å; A621-V666 HydrophobicContact CB-CG2 4.28Å; L629-V666 HydrophobicContact CD1-CG1 4.32Å; I663-V666 HydrophobicContact CG2-CG1 3.81Å; V666-A676 CarbonylContact C-O 3.56Å; V666-A676 VanDerWaalsContact CA-O 3.28Å; V666-A676 WeakPolarHBondContact CA-O 3.48Å; V666-T677 HydrophobicContact CG1-CG2 3.88Å |
| 667 | A | 97.6 | Very high | 95.8 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 148.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | A676 L713 F715 | A667-A676 PolarHBondContact N-O 3Å; A667-A676 PolarHBondContact O-N 2.84Å; A667-L713 HydrophobicContact CB-CB 3.88Å; A667-F715 HydrophobicContact CB-CD2 4.06Å; A667-F715 HydrophobicContact CB-CE2 4.29Å |
| 668 | W | 96.1 | Very high | 96 | Very high | 20 Ų | 20 | 27 Ų | 27 | 8% | 0.076 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.9 | 172 | -68.6 | 97.8 | 0 | 0 | 0 | 110.2 | A612 H614 P615 A621 V631 G672 L674 L675 F689 F715 | A612-W668 PolarHBondContact O-NE1 2.79Å; H614-W668 HydrophobicContact CB-CD2 4.39Å; H614-W668 HydrophobicContact CB-CZ2 4.46Å; H614-W668 AromaticContact CD2-CD2 3.89Å; H614-W668 AromaticContact CD2-CE3 3.67Å; H614-W668 AromaticContact CD2-CZ3 3.78Å; P615-W668 HydrophobicContact CG-CB 4.46Å; A621-W668 HydrophobicContact CB-CZ2 3.91Å; V631-W668 HydrophobicContact CG1-CH2 4.43Å; V631-W668 HydrophobicContact CG1-CZ2 4.08Å; V631-W668 HydrophobicContact CG2-CH2 4.23Å; V631-W668 HydrophobicContact CG2-CZ2 4.1Å; W668-G672 WeakPolarHBondContact CZ3-O 3.34Å; W668-L674 WeakPolarHBondContact CA-O 3.33Å; W668-L675 HydrophobicContact CD2-CB 4.4Å; W668-L675 HydrophobicContact CD2-CD1 4Å; W668-L675 HydrophobicContact CE3-CB 3.88Å; W668-L675 HydrophobicContact CE3-CD1 4.35Å; W668-L675 HydrophobicContact CG-CD1 4.47Å; W668-L675 HydrophobicContact CH2-CB 4.05Å; W668-L675 HydrophobicContact CH2-CD1 4.45Å; W668-L675 HydrophobicContact CH2-CD2 3.81Å; W668-L675 HydrophobicContact CH2-CG 4.33Å; W668-L675 HydrophobicContact CZ2-CD1 4.11Å; W668-L675 HydrophobicContact CZ2-CD2 3.92Å; W668-L675 HydrophobicContact CZ2-CG 4.42Å; W668-L675 HydrophobicContact CZ3-CB 3.7Å; W668-L675 HydrophobicContact CZ3-CD2 4.34Å; W668-L675 HydrophobicContact CZ3-CG 4.42Å; W668-F689 HydrophobicContact CH2-CB 4.49Å; W668-F689 AromaticContact CH2-CD1 3.42Å; W668-F689 HydrophobicContact CH2-CD1 3.42Å; W668-F689 VanDerWaalsContact CH2-CD1 3.42Å; W668-F689 HydrophobicContact CH2-CD2 4.49Å; W668-F689 AromaticContact CH2-CE1 3.63Å; W668-F689 HydrophobicContact CH2-CE1 3.63Å; W668-F689 AromaticContact CH2-CG 3.89Å; W668-F689 HydrophobicContact CH2-CG 3.89Å; W668-F689 HydrophobicContact CH2-CZ 4.26Å; W668-F689 HydrophobicContact CZ3-CB 4.04Å; W668-F689 AromaticContact CZ3-CD1 3.48Å; W668-F689 HydrophobicContact CZ3-CD1 3.48Å; W668-F689 VanDerWaalsContact CZ3-CD1 3.48Å; W668-F689 HydrophobicContact CZ3-CE1 4.14Å; W668-F689 AromaticContact CZ3-CG 3.89Å; W668-F689 HydrophobicContact CZ3-CG 3.89Å; W668-F715 WeakPolarHBondContact O-CD2 3.41Å |
| 669 | S | 93.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | trans | -65.8 | 156.2 | 164.6 | 62.5 | 0 | 0 | 0 | 0 | 110.7 | P615 C671 G672 Q673 L674 | P615-S669 WeakPolarHBondContact CG-O 3.29Å; S669-C671 PolarHBondContact O-N 3.19Å; S669-C671 PolarHBondContact OG-SG 3.03Å; S669-G672 WeakPolarHBondContact O-CA 3.46Å; S669-G672 PolarHBondContact O-N 2.94Å; S669-Q673 PolarHBondContact OG-N 2.88Å; S669-L674 PolarHBondContact N-O 3.14Å; S669-L674 PolarHBondContact OG-N 3.33Å; S669-L674 VanDerWaalsContact OG-N 3.11Å | ||
| 670 | H | 89 | Confident | 96 | Very high | 98 Ų | 98 | 29.8 Ų | 29.8 | 45% | 0.454 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -35 | 179.7 | -64.4 | 102.1 | 0 | 0 | 0 | 113.4 | P615 G672 F715 E717 | P615-H670 WeakPolarHBondContact CB-O 3.09Å; P615-H670 VanDerWaalsContact CG-O 3.31Å; P615-H670 WeakPolarHBondContact CG-O 3.49Å; H670-G672 VanDerWaalsContact C-N 3.29Å; H670-G672 PolarHBondContact O-N 3.48Å; H670-F715 PolarHBondContact CE1-O 3.18Å; H670-E717 HydrophobicContact CB-CG 4.08Å; H670-E717 WeakPolarHBondContact CB-OE1 3.44Å; H670-E717 IonicContact CG-OE1 2.69Å; H670-E717 WeakPolarHBondContact ND1-CG 3.39Å |
| 671 | C | 88.5 | Confident | 96.1 | Very high | 74 Ų | 74 | 23.5 Ų | 23.5 | 50% | 0.5 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -5.2 | 173.9 | 63 | 0 | 0 | 0 | 0 | 114.6 | S669 Q673 | S669-C671 PolarHBondContact O-N 3.19Å; S669-C671 PolarHBondContact OG-SG 3.03Å; C671-Q673 HydrophobicContact CB-CG 4.42Å; C671-Q673 PolarHBondContact O-N 3.06Å; C671-Q673 VanDerWaalsContact O-N 3.16Å |
| 672 | G | 91.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | S | Bend | trans | 75.8 | -9.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116 | H614 W668 S669 H670 L674 | H614-G672 VanDerWaalsContact NE2-CA 3.26Å; H614-G672 WeakPolarHBondContact NE2-CA 3.47Å; H614-G672 PolarHBondContact NE2-O 3.02Å; W668-G672 WeakPolarHBondContact CZ3-O 3.34Å; S669-G672 WeakPolarHBondContact O-CA 3.46Å; S669-G672 PolarHBondContact O-N 2.94Å; H670-G672 VanDerWaalsContact C-N 3.29Å; H670-G672 PolarHBondContact O-N 3.48Å; G672-L674 VanDerWaalsContact C-N 3.31Å; G672-L674 PolarHBondContact O-N 2.71Å |
| 673 | Q | 92.5 | Very high | 96 | Very high | 98 Ų | 98 | 30.6 Ų | 30.6 | 46% | 0.458 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -77.4 | -10.5 | -172.8 | -56.7 | -58.6 | -39.5 | 0 | 0 | 114.7 | S669 C671 F689 | S669-Q673 PolarHBondContact OG-N 2.88Å; C671-Q673 HydrophobicContact CB-CG 4.42Å; C671-Q673 PolarHBondContact O-N 3.06Å; C671-Q673 VanDerWaalsContact O-N 3.16Å; Q673-F689 WeakPolarHBondContact CA-O 3.4Å; Q673-F689 PolarHBondContact O-N 2.7Å |
| 674 | L | 94.7 | Very high | 96 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 16% | 0.157 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.3 | 178.3 | -57.3 | 174.9 | 0 | 0 | 0 | 110.7 | W668 S669 G672 V686 P688 F715 A724 C741 | W668-L674 WeakPolarHBondContact CA-O 3.33Å; S669-L674 PolarHBondContact N-O 3.14Å; S669-L674 PolarHBondContact OG-N 3.33Å; S669-L674 VanDerWaalsContact OG-N 3.11Å; G672-L674 VanDerWaalsContact C-N 3.31Å; G672-L674 PolarHBondContact O-N 2.71Å; L674-V686 HydrophobicContact CB-CG1 3.95Å; L674-V686 HydrophobicContact CD1-CG1 4.3Å; L674-V686 HydrophobicContact CD2-CG1 4.15Å; L674-V686 HydrophobicContact CG-CG1 4.37Å; L674-P688 HydrophobicContact CD2-CB 4.46Å; L674-P688 HydrophobicContact CD2-CG 4.45Å; L674-F715 HydrophobicContact CB-CE1 4.47Å; L674-F715 HydrophobicContact CB-CZ 4.05Å; L674-F715 HydrophobicContact CD1-CE1 4.26Å; L674-A724 HydrophobicContact CD1-CB 3.69Å; L674-C741 HydrophobicContact CD1-CB 3.76Å |
| 675 | L | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 109.4 | 172.4 | 174.7 | 53.8 | 0 | 0 | 0 | 109.6 | A621 L629 V631 W668 T677 L687 | A621-L675 HydrophobicContact CB-CD1 3.82Å; A621-L675 HydrophobicContact CB-CD2 4.22Å; L629-L675 HydrophobicContact CD1-CD2 4.3Å; L629-L675 HydrophobicContact CD2-CD2 3.93Å; L629-L675 HydrophobicContact CG-CD2 4.45Å; V631-L675 HydrophobicContact CG2-CD2 3.99Å; W668-L675 HydrophobicContact CD2-CB 4.4Å; W668-L675 HydrophobicContact CD2-CD1 4Å; W668-L675 HydrophobicContact CE3-CB 3.88Å; W668-L675 HydrophobicContact CE3-CD1 4.35Å; W668-L675 HydrophobicContact CG-CD1 4.47Å; W668-L675 HydrophobicContact CH2-CB 4.05Å; W668-L675 HydrophobicContact CH2-CD1 4.45Å; W668-L675 HydrophobicContact CH2-CD2 3.81Å; W668-L675 HydrophobicContact CH2-CG 4.33Å; W668-L675 HydrophobicContact CZ2-CD1 4.11Å; W668-L675 HydrophobicContact CZ2-CD2 3.92Å; W668-L675 HydrophobicContact CZ2-CG 4.42Å; W668-L675 HydrophobicContact CZ3-CB 3.7Å; W668-L675 HydrophobicContact CZ3-CD2 4.34Å; W668-L675 HydrophobicContact CZ3-CG 4.42Å; L675-T677 HydrophobicContact CG-CG2 4.45Å; L675-L687 HydrophobicContact CB-CB 4.4Å; L675-L687 PolarHBondContact N-O 3.33Å; L675-L687 PolarHBondContact O-N 3.1Å |
| 676 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 141.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V666 A667 K685 V686 L713 F715 L726 | V666-A676 CarbonylContact C-O 3.56Å; V666-A676 VanDerWaalsContact CA-O 3.28Å; V666-A676 WeakPolarHBondContact CA-O 3.48Å; A667-A676 PolarHBondContact N-O 3Å; A667-A676 PolarHBondContact O-N 2.84Å; A676-K685 CarbonylContact C-O 3.56Å; A676-K685 VanDerWaalsContact CA-O 3.27Å; A676-K685 WeakPolarHBondContact CA-O 3.47Å; A676-V686 HydrophobicContact CB-CG2 4.15Å; A676-L713 HydrophobicContact CB-CD1 3.98Å; A676-F715 HydrophobicContact CB-CE2 3.57Å; A676-F715 HydrophobicContact CB-CZ 3.75Å; A676-L726 HydrophobicContact CB-CD1 3.74Å; A676-L726 HydrophobicContact CB-CD2 3.92Å |
| 677 | T | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 133.4 | 177.2 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | L629 H658 H659 C665 V666 L675 V684 K685 | L629-T677 HydrophobicContact CD1-CG2 3.88Å; L629-T677 HydrophobicContact CD2-CG2 3.94Å; H658-T677 PolarHBondContact CD2-OG1 3.14Å; H658-T677 VanDerWaalsContact CD2-OG1 3.32Å; H658-T677 PolarHBondContact NE2-OG1 3.02Å; H659-T677 PolarHBondContact NE2-O 2.96Å; H659-T677 PolarHBondContact NE2-OG1 3.46Å; C665-T677 WeakPolarHBondContact O-CA 3.24Å; V666-T677 HydrophobicContact CG1-CG2 3.88Å; L675-T677 HydrophobicContact CG-CG2 4.45Å; T677-V684 WeakPolarHBondContact O-CA 3.47Å; T677-K685 PolarHBondContact N-O 2.94Å; T677-K685 PolarHBondContact O-N 3.42Å |
| 678 | G | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 146.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y664 C665 | Y664-G678 PolarHBondContact N-O 2.73Å; C665-G678 PolarHBondContact N-O 2.83Å; C665-G678 PolarHBondContact O-N 3.43Å; C665-G678 VanDerWaalsContact SG-CA 3.56Å |
| 679 | S | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 163.6 | -163 | 156.1 | 0 | 0 | 0 | 0 | 112.6 | H659 S662 D681 K682 Y683 I710 | H659-S679 VanDerWaalsContact CG-CB 3.47Å; H659-S679 WeakPolarHBondContact ND1-CB 3.27Å; H659-S679 PolarHBondContact ND1-OG 3.46Å; S662-S679 VanDerWaalsContact O-CA 3.28Å; S662-S679 WeakPolarHBondContact O-CA 3.25Å; S662-S679 WeakPolarHBondContact O-CB 3.43Å; S662-S679 PolarHBondContact O-OG 2.85Å; S679-D681 WeakPolarHBondContact CB-OD1 3.42Å; S679-D681 PolarHBondContact O-N 3.12Å; S679-D681 PolarHBondContact OG-N 3.03Å; S679-D681 VanDerWaalsContact OG-N 3.11Å; S679-D681 PolarHBondContact OG-OD1 3.36Å; S679-K682 PolarHBondContact O-N 3.02Å; S679-Y683 PolarHBondContact N-O 2.89Å; S679-I710 VanDerWaalsContact O-CD1 3.29Å; S679-I710 WeakPolarHBondContact O-CD1 3.36Å; S679-I710 PolarHBondContact O-N 2.77Å |
| 680 | N | 97.5 | Very high | 95.5 | Very high | 65 Ų | 65 | 30 Ų | 30 | 35% | 0.348 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 0.3 | 173.6 | 74.3 | -24.1 | 0 | 0 | 0 | 114.4 | G661 S662 Y664 K682 T709 | G661-N680 WeakPolarHBondContact CA-OD1 3.31Å; S662-N680 PolarHBondContact N-OD1 2.84Å; S662-N680 PolarHBondContact O-N 3.16Å; Y664-N680 HydrophobicContact CD2-CB 4.08Å; Y664-N680 HydrophobicContact CE2-CB 3.75Å; N680-K682 PolarHBondContact O-N 3.43Å; N680-T709 HydrophobicContact CB-CG2 3.75Å; N680-T709 WeakPolarHBondContact CB-OG1 3.46Å |
| 681 | D | 97.1 | Very high | 95.7 | Very high | 26 Ų | 26 | 26.6 Ų | 26.6 | 14% | 0.139 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 6.3 | 166.5 | 64.7 | -0.7 | 0 | 0 | 0 | 114.1 | H659 K660 G661 S679 Y683 | H659-D681 VanDerWaalsContact CB-OD2 3.31Å; H659-D681 WeakPolarHBondContact CB-OD2 3.06Å; H659-D681 IonicContact CG-OD1 3.37Å; H659-D681 IonicContact CG-OD2 3.6Å; H659-D681 IonicContact ND1-OD1 2.7Å; H659-D681 PolarHBondContact ND1-OD1 2.81Å; H659-D681 VanDerWaalsContact ND1-OD1 3.13Å; H659-D681 IonicContact ND1-OD2 3.6Å; H659-D681 PolarHBondContact ND1-OD2 2.7Å; K660-D681 WeakPolarHBondContact CA-OD2 3.33Å; K660-D681 HydrophobicContact CB-CB 3.98Å; K660-D681 WeakPolarHBondContact CB-OD2 3.47Å; K660-D681 PolarHBondContact N-OD2 3.36Å; G661-D681 PolarHBondContact N-OD2 3.04Å; S679-D681 WeakPolarHBondContact CB-OD1 3.42Å; S679-D681 PolarHBondContact O-N 3.12Å; S679-D681 PolarHBondContact OG-N 3.03Å; S679-D681 VanDerWaalsContact OG-N 3.11Å; S679-D681 PolarHBondContact OG-OD1 3.36Å; D681-Y683 VanDerWaalsContact C-N 3.26Å; D681-Y683 HydrophobicContact CB-CD2 4.47Å; D681-Y683 WeakPolarHBondContact O-CD2 3.49Å; D681-Y683 PolarHBondContact O-N 3.48Å; D681-Y683 PolarHBondContact OD1-N 2.94Å |
| 682 | K | 96.9 | Very high | 95.7 | Very high | 102 Ų | 102 | 32 Ų | 32 | 44% | 0.443 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 74 | 7.1 | 179 | -42.1 | 179.1 | 179.4 | -157.8 | 0 | 115.3 | S679 N680 D707 G708 I710 | S679-K682 PolarHBondContact O-N 3.02Å; N680-K682 PolarHBondContact O-N 3.43Å; K682-D707 VanDerWaalsContact CD-O 3.24Å; K682-D707 WeakPolarHBondContact CD-O 3.48Å; K682-D707 WeakPolarHBondContact CE-O 3.33Å; K682-D707 PolarHBondContact NZ-O 3.29Å; K682-G708 WeakPolarHBondContact CA-O 3.38Å; K682-I710 VanDerWaalsContact C-CD1 3.42Å |
| 683 | Y | 97.1 | Very high | 95.7 | Very high | 73 Ų | 73 | 36.5 Ų | 36.5 | 29% | 0.286 | 19% | 0.185 | S | C | . | . | trans | -102.2 | 138.5 | 176.4 | -69.2 | -95 | 0 | 0 | 0 | 112 | H659 S679 D681 E702 F703 | H659-Y683 PolarHBondContact CE1-O 2.83Å; H659-Y683 VanDerWaalsContact CE1-O 3.28Å; S679-Y683 PolarHBondContact N-O 2.89Å; D681-Y683 VanDerWaalsContact C-N 3.26Å; D681-Y683 HydrophobicContact CB-CD2 4.47Å; D681-Y683 WeakPolarHBondContact O-CD2 3.49Å; D681-Y683 PolarHBondContact O-N 3.48Å; D681-Y683 PolarHBondContact OD1-N 2.94Å; Y683-E702 HydrophobicContact CD1-CB 4.4Å; Y683-F703 WeakPolarHBondContact CA-O 3.42Å | ||
| 684 | V | 97.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.018 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 132.1 | 156.6 | -178.1 | 0 | 0 | 0 | 0 | 107.3 | T677 F703 I710 L713 L726 | T677-V684 WeakPolarHBondContact O-CA 3.47Å; V684-F703 HydrophobicContact CB-CB 4.39Å; V684-F703 PolarHBondContact N-O 2.85Å; V684-F703 PolarHBondContact O-N 3.15Å; V684-I710 HydrophobicContact CG2-CD1 4.3Å; V684-I710 HydrophobicContact CG2-CG1 3.8Å; V684-I710 HydrophobicContact CG2-CG2 4.21Å; V684-L713 HydrophobicContact CG1-CD2 4.02Å; V684-L713 HydrophobicContact CG2-CD2 4.27Å; V684-L726 HydrophobicContact CG1-CD2 3.62Å |
| 685 | K | 97.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139.1 | 171.6 | -67.9 | -173.4 | 171.2 | -143.6 | 0 | 110.1 | H658 A676 T677 D700 L701 E702 | H658-K685 VanDerWaalsContact O-CE 3.25Å; H658-K685 WeakPolarHBondContact O-CE 3.29Å; H658-K685 PolarHBondContact O-NZ 3.31Å; A676-K685 CarbonylContact C-O 3.56Å; A676-K685 VanDerWaalsContact CA-O 3.27Å; A676-K685 WeakPolarHBondContact CA-O 3.47Å; T677-K685 PolarHBondContact N-O 2.94Å; T677-K685 PolarHBondContact O-N 3.42Å; K685-D700 IonicContact NZ-OD2 3.5Å; K685-L701 CarbonylContact C-O 3.51Å; K685-L701 VanDerWaalsContact CA-O 3.29Å; K685-L701 WeakPolarHBondContact CA-O 3.39Å; K685-E702 WeakPolarHBondContact CE-OE1 3.36Å; K685-E702 HydrophobicContact CG-CG 4.17Å; K685-E702 IonicContact NZ-OE1 2.78Å; K685-E702 PolarHBondContact NZ-OE1 3.48Å |
| 686 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.6 | 172.2 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | L674 A676 L701 F703 F715 L726 | L674-V686 HydrophobicContact CB-CG1 3.95Å; L674-V686 HydrophobicContact CD1-CG1 4.3Å; L674-V686 HydrophobicContact CD2-CG1 4.15Å; L674-V686 HydrophobicContact CG-CG1 4.37Å; A676-V686 HydrophobicContact CB-CG2 4.15Å; V686-L701 HydrophobicContact CB-CB 4.25Å; V686-L701 PolarHBondContact N-O 3.39Å; V686-L701 PolarHBondContact O-N 3.46Å; V686-F703 HydrophobicContact CG2-CD2 4.32Å; V686-F703 HydrophobicContact CG2-CE2 3.82Å; V686-F715 HydrophobicContact CG1-CZ 4.48Å; V686-L726 HydrophobicContact CG2-CD2 3.49Å; V686-L726 VanDerWaalsContact CG2-CD2 3.49Å |
| 687 | L | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 115.9 | -178.2 | -177.4 | 66.8 | 0 | 0 | 0 | 109.6 | L629 F653 L675 F689 A696 D700 | L629-L687 HydrophobicContact CD2-CD2 4.43Å; F653-L687 HydrophobicContact CE1-CD2 4.02Å; F653-L687 HydrophobicContact CZ-CD2 3.92Å; L675-L687 HydrophobicContact CB-CB 4.4Å; L675-L687 PolarHBondContact N-O 3.33Å; L675-L687 PolarHBondContact O-N 3.1Å; L687-F689 HydrophobicContact CD2-CD2 4.41Å; L687-F689 PolarHBondContact O-N 3.24Å; L687-A696 HydrophobicContact CD1-CB 3.71Å; L687-A696 HydrophobicContact CD2-CB 4.42Å; L687-A696 HydrophobicContact CG-CB 4.23Å; L687-D700 WeakPolarHBondContact CD1-OD1 3.2Å |
| 688 | P | 94.5 | Very high | 94.4 | Very high | 25 Ų | 25 | 42.4 Ų | 42.4 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 124.3 | 164.2 | -21.3 | 34.2 | 0 | 0 | 0 | 109.8 | L674 A696 T697 P699 | L674-P688 HydrophobicContact CD2-CB 4.46Å; L674-P688 HydrophobicContact CD2-CG 4.45Å; P688-A696 CarbonylContact O-C 3.24Å; P688-A696 VanDerWaalsContact O-CA 3.25Å; P688-A696 WeakPolarHBondContact O-CA 3.3Å; P688-T697 VanDerWaalsContact C-OG1 3.27Å; P688-T697 VanDerWaalsContact CB-OG1 3.26Å; P688-T697 WeakPolarHBondContact CB-OG1 3.45Å; P688-T697 PolarHBondContact O-N 2.88Å; P688-T697 PolarHBondContact O-OG1 2.84Å; P688-P699 VanDerWaalsContact CD-O 3.29Å; P688-P699 WeakPolarHBondContact CD-O 3.24Å |
| 689 | F | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 128.8 | -169.6 | -174.5 | -87.4 | 0 | 0 | 0 | 111.8 | L619 V631 F653 W668 Q673 L687 C694 | L619-F689 HydrophobicContact CD1-CE1 4.1Å; V631-F689 HydrophobicContact CB-CZ 4.22Å; V631-F689 HydrophobicContact CG1-CZ 4.17Å; V631-F689 HydrophobicContact CG2-CE2 4.05Å; V631-F689 HydrophobicContact CG2-CZ 4.03Å; F653-F689 HydrophobicContact CB-CE2 4.04Å; F653-F689 HydrophobicContact CB-CZ 4.44Å; F653-F689 HydrophobicContact CD1-CE2 4.37Å; F653-F689 HydrophobicContact CD2-CE2 4.16Å; F653-F689 AromaticContact CG-CE2 3.95Å; F653-F689 HydrophobicContact CG-CE2 3.95Å; W668-F689 HydrophobicContact CH2-CB 4.49Å; W668-F689 AromaticContact CH2-CD1 3.42Å; W668-F689 HydrophobicContact CH2-CD1 3.42Å; W668-F689 VanDerWaalsContact CH2-CD1 3.42Å; W668-F689 HydrophobicContact CH2-CD2 4.49Å; W668-F689 AromaticContact CH2-CE1 3.63Å; W668-F689 HydrophobicContact CH2-CE1 3.63Å; W668-F689 AromaticContact CH2-CG 3.89Å; W668-F689 HydrophobicContact CH2-CG 3.89Å; W668-F689 HydrophobicContact CH2-CZ 4.26Å; W668-F689 HydrophobicContact CZ3-CB 4.04Å; W668-F689 AromaticContact CZ3-CD1 3.48Å; W668-F689 HydrophobicContact CZ3-CD1 3.48Å; W668-F689 VanDerWaalsContact CZ3-CD1 3.48Å; W668-F689 HydrophobicContact CZ3-CE1 4.14Å; W668-F689 AromaticContact CZ3-CG 3.89Å; W668-F689 HydrophobicContact CZ3-CG 3.89Å; Q673-F689 WeakPolarHBondContact CA-O 3.4Å; Q673-F689 PolarHBondContact O-N 2.7Å; L687-F689 HydrophobicContact CD2-CD2 4.41Å; L687-F689 PolarHBondContact O-N 3.24Å; F689-C694 VanDerWaalsContact CZ-C 3.45Å; F689-C694 HydrophobicContact CZ-CB 4.47Å |
| 690 | S | 94.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.5 | 173.5 | 157.7 | 0 | 0 | 0 | 0 | 109.8 | E692 T693 C694 N695 T697 | S690-E692 VanDerWaalsContact C-N 3.31Å; S690-E692 PolarHBondContact O-N 3.39Å; S690-T693 WeakPolarHBondContact CB-OG1 3.45Å; S690-T693 PolarHBondContact OG-N 3.5Å; S690-T693 PolarHBondContact OG-OG1 3.18Å; S690-C694 VanDerWaalsContact O-CA 3.25Å; S690-C694 WeakPolarHBondContact O-CA 3.48Å; S690-C694 PolarHBondContact O-N 3.26Å; S690-N695 PolarHBondContact N-O 3.27Å; S690-N695 PolarHBondContact O-N 3.44Å; S690-T697 VanDerWaalsContact CB-CG2 3.41Å |
| 691 | A | 91.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -35.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L619 C694 | L619-A691 HydrophobicContact CD1-CB 4.02Å; A691-C694 PolarHBondContact O-N 3.16Å; A691-C694 PolarHBondContact O-SG 3.19Å |
| 692 | E | 89.9 | Confident | 93.3 | Very high | 187 Ų | 187 | 52.1 Ų | 52.1 | 87% | 0.874 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -48 | 180 | -61.4 | 176.5 | 174.8 | 0 | 0 | 112.1 | S690 C694 | S690-E692 VanDerWaalsContact C-N 3.31Å; S690-E692 PolarHBondContact O-N 3.39Å; E692-C694 VanDerWaalsContact C-N 3.34Å |
| 693 | T | 90.3 | Very high | 93.2 | Very high | 95 Ų | 95 | 48.4 Ų | 48.4 | 58% | 0.583 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -11 | 177.7 | 62.3 | 0 | 0 | 0 | 0 | 113 | S690 N695 | S690-T693 WeakPolarHBondContact CB-OG1 3.45Å; S690-T693 PolarHBondContact OG-N 3.5Å; S690-T693 PolarHBondContact OG-OG1 3.18Å; T693-N695 PolarHBondContact O-N 3.37Å |
| 694 | C | 91.3 | Very high | 93.1 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 10% | 0.101 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 34.9 | -171.1 | -69.6 | 0 | 0 | 0 | 0 | 113.6 | R652 F689 S690 A691 E692 | R652-C694 HydrophobicContact CB-CB 3.72Å; R652-C694 HydrophobicContact CG-CB 4.49Å; F689-C694 VanDerWaalsContact CZ-C 3.45Å; F689-C694 HydrophobicContact CZ-CB 4.47Å; S690-C694 VanDerWaalsContact O-CA 3.25Å; S690-C694 WeakPolarHBondContact O-CA 3.48Å; S690-C694 PolarHBondContact O-N 3.26Å; A691-C694 PolarHBondContact O-N 3.16Å; A691-C694 PolarHBondContact O-SG 3.19Å; E692-C694 VanDerWaalsContact C-N 3.34Å |
| 695 | N | 92.1 | Very high | 92.8 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 164.7 | -174.1 | -158.2 | 9.3 | 0 | 0 | 0 | 112.9 | F653 S690 T693 | F653-N695 WeakPolarHBondContact CE2-OD1 3.2Å; S690-N695 PolarHBondContact N-O 3.27Å; S690-N695 PolarHBondContact O-N 3.44Å; T693-N695 PolarHBondContact O-N 3.37Å |
| 696 | A | 91.9 | Very high | 92.6 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 135.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L687 P688 | L687-A696 HydrophobicContact CD1-CB 3.71Å; L687-A696 HydrophobicContact CD2-CB 4.42Å; L687-A696 HydrophobicContact CG-CB 4.23Å; P688-A696 CarbonylContact O-C 3.24Å; P688-A696 VanDerWaalsContact O-CA 3.25Å; P688-A696 WeakPolarHBondContact O-CA 3.3Å |
| 697 | T | 90 | Very high | 92.5 | Very high | 89 Ų | 89 | 54.8 Ų | 54.8 | 55% | 0.546 | 32% | 0.319 | S | S | . | . | trans | -102.1 | -10.6 | -178.7 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | P688 S690 | P688-T697 VanDerWaalsContact C-OG1 3.27Å; P688-T697 VanDerWaalsContact CB-OG1 3.26Å; P688-T697 WeakPolarHBondContact CB-OG1 3.45Å; P688-T697 PolarHBondContact O-N 2.88Å; P688-T697 PolarHBondContact O-OG1 2.84Å; S690-T697 VanDerWaalsContact CB-CG2 3.41Å | ||
| 698 | G | 88.7 | Confident | 92.5 | Very high | 31 Ų | 31 | 55.4 Ų | 55.4 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -162 | -177 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 699 | P | 90.2 | Very high | 92.7 | Very high | 107 Ų | 107 | 55.6 Ų | 55.6 | 70% | 0.695 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 152 | 176.4 | 30 | -35.2 | 0 | 0 | 0 | 111.9 | P688 | P688-P699 VanDerWaalsContact CD-O 3.29Å; P688-P699 WeakPolarHBondContact CD-O 3.24Å |
| 700 | D | 91.4 | Very high | 92.8 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 18% | 0.176 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -65 | 133.4 | 170.6 | -56.2 | 21.7 | 0 | 0 | 0 | 110 | R655 H658 K685 L687 E702 | R655-D700 IonicContact CZ-OD1 3.73Å; R655-D700 VanDerWaalsContact CZ-OD1 3.31Å; R655-D700 IonicContact CZ-OD2 2.74Å; R655-D700 VanDerWaalsContact CZ-OD2 3.25Å; R655-D700 IonicContact NH1-OD1 3.76Å; R655-D700 PolarHBondContact NH1-OD1 3.18Å; R655-D700 IonicContact NH1-OD2 3.05Å; R655-D700 PolarHBondContact NH1-OD2 2.78Å; R655-D700 VanDerWaalsContact NH2-CG 3.26Å; R655-D700 IonicContact NH2-OD1 3.34Å; R655-D700 PolarHBondContact NH2-OD1 2.82Å; R655-D700 IonicContact NH2-OD2 3.56Å; R655-D700 PolarHBondContact NH2-OD2 3.32Å; H658-D700 IonicContact CE1-OD2 3.42Å; K685-D700 IonicContact NZ-OD2 3.5Å; L687-D700 WeakPolarHBondContact CD1-OD1 3.2Å; D700-E702 HydrophobicContact CB-CG 4.46Å |
| 701 | L | 92.9 | Very high | 93 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 28% | 0.277 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.2 | 161.1 | -55.5 | 174.6 | 0 | 0 | 0 | 108.1 | K685 V686 F703 C741 | K685-L701 CarbonylContact C-O 3.51Å; K685-L701 VanDerWaalsContact CA-O 3.29Å; K685-L701 WeakPolarHBondContact CA-O 3.39Å; V686-L701 HydrophobicContact CB-CB 4.25Å; V686-L701 PolarHBondContact N-O 3.39Å; V686-L701 PolarHBondContact O-N 3.46Å; L701-F703 HydrophobicContact CB-CE2 3.93Å; L701-F703 HydrophobicContact CB-CZ 3.83Å; L701-F703 HydrophobicContact CD1-CZ 4.26Å; L701-C741 WeakPolarHBondContact CD1-O 3.46Å |
| 702 | E | 95.1 | Very high | 93.3 | Very high | 102 Ų | 102 | 58 Ų | 58 | 48% | 0.477 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128 | 178.7 | -51.7 | -161.3 | 166.3 | 0 | 0 | 110.7 | Y683 K685 D700 | Y683-E702 HydrophobicContact CD1-CB 4.4Å; K685-E702 WeakPolarHBondContact CE-OE1 3.36Å; K685-E702 HydrophobicContact CG-CG 4.17Å; K685-E702 IonicContact NZ-OE1 2.78Å; K685-E702 PolarHBondContact NZ-OE1 3.48Å; D700-E702 HydrophobicContact CB-CG 4.46Å |
| 703 | F | 94.8 | Very high | 93.7 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 10% | 0.101 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.6 | 179.4 | -52.2 | -69.7 | 0 | 0 | 0 | 110.8 | Y683 V684 V686 L701 T739 | Y683-F703 WeakPolarHBondContact CA-O 3.42Å; V684-F703 HydrophobicContact CB-CB 4.39Å; V684-F703 PolarHBondContact N-O 2.85Å; V684-F703 PolarHBondContact O-N 3.15Å; V686-F703 HydrophobicContact CG2-CD2 4.32Å; V686-F703 HydrophobicContact CG2-CE2 3.82Å; L701-F703 HydrophobicContact CB-CE2 3.93Å; L701-F703 HydrophobicContact CB-CZ 3.83Å; L701-F703 HydrophobicContact CD1-CZ 4.26Å; F703-T739 HydrophobicContact CD1-CG2 3.99Å; F703-T739 HydrophobicContact CD2-CG2 4.19Å; F703-T739 HydrophobicContact CE1-CG2 3.69Å; F703-T739 HydrophobicContact CE2-CG2 3.89Å; F703-T739 HydrophobicContact CG-CG2 4.23Å; F703-T739 HydrophobicContact CZ-CG2 3.63Å |
| 704 | S | 93.9 | Very high | 93.9 | Very high | 76 Ų | 76 | 45.4 Ų | 45.4 | 53% | 0.531 | 26% | 0.264 | S | S | . | . | trans | -117.1 | 49.8 | -179.5 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 705 | M | 92.1 | Very high | 94.1 | Very high | 58 Ų | 58 | 45 Ų | 45 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | trans | -84.8 | -20.8 | -178.3 | -64.4 | -159.3 | -72.8 | 0 | 0 | 113.7 | Y737 T739 | M705-Y737 HydrophobicContact CB-CD1 3.72Å; M705-Y737 HydrophobicContact CB-CD2 4.41Å; M705-Y737 HydrophobicContact CB-CE1 3.97Å; M705-Y737 HydrophobicContact CB-CG 3.97Å; M705-Y737 HydrophobicContact CE-CD1 4.1Å; M705-Y737 HydrophobicContact CE-CG 4.28Å; M705-Y737 HydrophobicContact CG-CD1 4.42Å; M705-Y737 VanDerWaalsContact O-CZ 3.32Å; M705-Y737 PolarHBondContact O-OH 3.44Å; M705-Y737 HydrophobicContact SD-CD1 3.91Å; M705-T739 WeakPolarHBondContact CE-OG1 3.37Å | ||
| 706 | H | 93.9 | Very high | 94 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | trans | -89.5 | 141.3 | 178 | -63.3 | -101.1 | 0 | 0 | 0 | 110.2 | I710 S728 Y737 | H706-I710 HydrophobicContact CB-CD1 4.11Å; H706-I710 HydrophobicContact CB-CG1 4.11Å; H706-S728 PolarHBondContact CE1-O 3.19Å; H706-S728 WeakPolarHBondContact NE2-CB 3.28Å; H706-S728 PolarHBondContact NE2-OG 3.42Å; H706-Y737 AromaticContact CE1-CD2 3.53Å; H706-Y737 AromaticContact ND1-CD2 4Å; H706-Y737 AromaticContact NE2-CD2 3.64Å | ||
| 707 | D | 93.7 | Very high | 93.4 | Very high | 89 Ų | 89 | 45.8 Ų | 45.8 | 48% | 0.476 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -91.8 | 0.8 | 171.9 | 79.5 | -16.6 | 0 | 0 | 0 | 113.8 | K682 G732 D733 | K682-D707 VanDerWaalsContact CD-O 3.24Å; K682-D707 WeakPolarHBondContact CD-O 3.48Å; K682-D707 WeakPolarHBondContact CE-O 3.33Å; K682-D707 PolarHBondContact NZ-O 3.29Å; D707-G732 VanDerWaalsContact OD1-C 3.27Å; D707-G732 WeakPolarHBondContact OD1-CA 3.39Å; D707-D733 PolarHBondContact N-OD2 3.01Å; D707-D733 PolarHBondContact OD1-N 3.34Å |
| 708 | G | 95.5 | Very high | 92.1 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -142.8 | -150.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K682 A731 | K682-G708 WeakPolarHBondContact CA-O 3.38Å; G708-A731 CarbonylContact C-O 3.6Å; G708-A731 VanDerWaalsContact C-O 3.24Å; G708-A731 WeakPolarHBondContact CA-O 3.5Å |
| 709 | T | 97.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 45 Ų | 45 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | trans | -83.7 | 120.6 | -172.5 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | Y664 N680 R711 G730 A731 | Y664-T709 HydrophobicContact CD1-CG2 4.24Å; Y664-T709 HydrophobicContact CD2-CG2 3.87Å; Y664-T709 HydrophobicContact CE1-CG2 4.47Å; Y664-T709 HydrophobicContact CE2-CG2 4.14Å; Y664-T709 HydrophobicContact CG-CG2 3.94Å; N680-T709 HydrophobicContact CB-CG2 3.75Å; N680-T709 WeakPolarHBondContact CB-OG1 3.46Å; T709-R711 PolarHBondContact O-N 2.81Å; T709-G730 CarbonylContact O-C 3.58Å; T709-G730 WeakPolarHBondContact O-CA 3.4Å; T709-A731 PolarHBondContact N-O 3.37Å; T709-A731 VanDerWaalsContact N-O 3.13Å; T709-A731 PolarHBondContact O-N 3.05Å | ||
| 710 | I | 98.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 121.5 | 173.4 | -57.1 | 87.2 | 0 | 0 | 0 | 109 | Y664 S679 K682 V684 H706 L713 | Y664-I710 VanDerWaalsContact CB-O 3.3Å; Y664-I710 WeakPolarHBondContact CB-O 3.48Å; S679-I710 VanDerWaalsContact O-CD1 3.29Å; S679-I710 WeakPolarHBondContact O-CD1 3.36Å; S679-I710 PolarHBondContact O-N 2.77Å; K682-I710 VanDerWaalsContact C-CD1 3.42Å; V684-I710 HydrophobicContact CG2-CD1 4.3Å; V684-I710 HydrophobicContact CG2-CG1 3.8Å; V684-I710 HydrophobicContact CG2-CG2 4.21Å; H706-I710 HydrophobicContact CB-CD1 4.11Å; H706-I710 HydrophobicContact CB-CG1 4.11Å; I710-L713 HydrophobicContact CG2-CD2 4.07Å; I710-L713 HydrophobicContact CG2-CG 4.34Å |
| 711 | R | 97.8 | Very high | 86 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -35.2 | -172 | -70.5 | -62.5 | -173 | 147 | 1.8 | 113.5 | C665 T709 A729 I757 L758 | C665-R711 WeakPolarHBondContact CB-O 3.46Å; T709-R711 PolarHBondContact O-N 2.81Å; R711-A729 PolarHBondContact N-O 3.16Å; R711-I757 VanDerWaalsContact CB-O 3.31Å; R711-I757 WeakPolarHBondContact CB-O 3.48Å; R711-I757 WeakPolarHBondContact CG-O 3.36Å; R711-L758 HydrophobicContact CG-CD2 4.41Å |
| 712 | D | 98 | Very high | 84.1 | Confident | 7 Ų | 7 | 50.9 Ų | 50.9 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 158.2 | 177.7 | -144.2 | -7.2 | 0 | 0 | 0 | 111.7 | A729 S759 L760 | D712-A729 PolarHBondContact N-O 3.14Å; D712-A729 PolarHBondContact O-N 3.37Å; D712-S759 WeakPolarHBondContact OD2-CA 3.47Å; D712-S759 PolarHBondContact OD2-OG 2.98Å; D712-L760 HydrophobicContact CB-CB 4.19Å; D712-L760 HydrophobicContact CB-CG 4.32Å; D712-L760 PolarHBondContact OD2-N 3.45Å |
| 713 | L | 97.8 | Very high | 82.8 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 137.3 | 179.5 | -69.9 | 171.5 | 0 | 0 | 0 | 109.3 | C665 A667 A676 V684 I710 L726 I727 S728 | C665-L713 HydrophobicContact CB-CG 4.4Å; A667-L713 HydrophobicContact CB-CB 3.88Å; A676-L713 HydrophobicContact CB-CD1 3.98Å; V684-L713 HydrophobicContact CG1-CD2 4.02Å; V684-L713 HydrophobicContact CG2-CD2 4.27Å; I710-L713 HydrophobicContact CG2-CD2 4.07Å; I710-L713 HydrophobicContact CG2-CG 4.34Å; L713-L726 HydrophobicContact CB-CD1 4.47Å; L713-L726 HydrophobicContact CD2-CD1 4.16Å; L713-L726 HydrophobicContact CD2-CG 4.48Å; L713-I727 WeakPolarHBondContact CA-O 3.29Å; L713-S728 VanDerWaalsContact CD2-CB 3.45Å |
| 714 | A | 96.1 | Very high | 82.4 | Confident | 10 Ų | 10 | 46.2 Ų | 46.2 | 8% | 0.083 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 146.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | I727 L760 T762 | A714-I727 HydrophobicContact CB-CB 4.44Å; A714-I727 HydrophobicContact CB-CD1 4.47Å; A714-I727 PolarHBondContact N-O 2.84Å; A714-I727 WeakPolarHBondContact O-CB 3.37Å; A714-I727 PolarHBondContact O-N 3.19Å; A714-L760 HydrophobicContact CB-CB 4.37Å; A714-T762 HydrophobicContact CB-CG2 4.14Å |
| 715 | F | 93.9 | Very high | 82.4 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 157.7 | 168.8 | -83.2 | -83.1 | 0 | 0 | 0 | 110.7 | A667 W668 H670 L674 A676 V686 A724 I725 L726 T762 | A667-F715 HydrophobicContact CB-CD2 4.06Å; A667-F715 HydrophobicContact CB-CE2 4.29Å; W668-F715 WeakPolarHBondContact O-CD2 3.41Å; H670-F715 PolarHBondContact CE1-O 3.18Å; L674-F715 HydrophobicContact CB-CE1 4.47Å; L674-F715 HydrophobicContact CB-CZ 4.05Å; L674-F715 HydrophobicContact CD1-CE1 4.26Å; A676-F715 HydrophobicContact CB-CE2 3.57Å; A676-F715 HydrophobicContact CB-CZ 3.75Å; V686-F715 HydrophobicContact CG1-CZ 4.48Å; F715-A724 HydrophobicContact CD1-CB 3.96Å; F715-A724 HydrophobicContact CE1-CB 3.99Å; F715-I725 WeakPolarHBondContact CA-O 3.47Å; F715-L726 HydrophobicContact CD1-CB 4.32Å; F715-L726 HydrophobicContact CD1-CD1 4.21Å; F715-L726 HydrophobicContact CD2-CD1 4.09Å; F715-L726 HydrophobicContact CE1-CB 4.02Å; F715-L726 HydrophobicContact CE1-CD1 4Å; F715-L726 HydrophobicContact CE2-CD1 3.89Å; F715-L726 HydrophobicContact CG-CD1 4.28Å; F715-L726 HydrophobicContact CZ-CD1 3.86Å; F715-T762 PolarHBondContact O-OG1 3.48Å |
| 716 | M | 89.9 | Confident | 82.5 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 148.2 | 174.3 | -174.5 | -170.1 | 67.3 | 0 | 0 | 107.8 | I725 I727 W766 L782 | M716-I725 HydrophobicContact CE-CB 3.81Å; M716-I725 HydrophobicContact CE-CD1 3.6Å; M716-I725 HydrophobicContact CE-CG1 4.27Å; M716-I725 HydrophobicContact CE-CG2 3.82Å; M716-I725 PolarHBondContact N-O 2.97Å; M716-I725 PolarHBondContact O-N 3.22Å; M716-I727 HydrophobicContact CB-CD1 3.99Å; M716-W766 HydrophobicContact CE-CD2 4.49Å; M716-W766 HydrophobicContact CE-CE3 3.43Å; M716-W766 VanDerWaalsContact CE-CE3 3.43Å; M716-W766 HydrophobicContact CE-CZ3 3.57Å; M716-W766 HydrophobicContact SD-CE3 3.99Å; M716-L782 HydrophobicContact CE-CD1 3.37Å; M716-L782 HydrophobicContact SD-CD1 3.69Å |
| 717 | E | 80.3 | Confident | 82.7 | Confident | 126 Ų | 126 | 40 Ų | 40 | 59% | 0.589 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 131.9 | 177.8 | -58.4 | -170.7 | 144.2 | 0 | 0 | 110.4 | H670 | H670-E717 HydrophobicContact CB-CG 4.08Å; H670-E717 WeakPolarHBondContact CB-OE1 3.44Å; H670-E717 IonicContact CG-OE1 2.69Å; H670-E717 WeakPolarHBondContact ND1-CG 3.39Å |
| 718 | G | 63.3 | Low | 82.9 | Confident | 13 Ų | 13 | 35.9 Ų | 35.9 | 13% | 0.134 | 22% | 0.218 | C | C | . | . | trans | -77.7 | 130.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E720 G723 | G718-E720 VanDerWaalsContact C-N 3.28Å; G718-E720 PolarHBondContact O-N 3.12Å; G718-E720 VanDerWaalsContact O-N 3.12Å; G718-G723 PolarHBondContact N-O 3.44Å | ||
| 719 | P | 51.4 | Low | 83 | Confident | 91 Ų | 91 | 35.3 Ų | 35.3 | 59% | 0.591 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -6.5 | -164.6 | 26.5 | -34.7 | 0 | 0 | 0 | 116.5 | W766 | P719-W766 HydrophobicContact CG-CH2 4.19Å; P719-W766 HydrophobicContact CG-CZ2 3.37Å |
| 720 | E | 47.5 | Very low | 82.8 | Confident | 150 Ų | 150 | 34 Ų | 34 | 70% | 0.701 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.4 | -0.6 | -169.4 | -61.7 | -169.4 | 155.6 | 0 | 0 | 115.2 | G718 | G718-E720 VanDerWaalsContact C-N 3.28Å; G718-E720 PolarHBondContact O-N 3.12Å; G718-E720 VanDerWaalsContact O-N 3.12Å |
| 721 | S | 43.1 | Very low | 82.5 | Confident | 101 Ų | 101 | 34.4 Ų | 34.4 | 71% | 0.706 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -154.8 | 1.6 | 177.6 | -56.8 | 0 | 0 | 0 | 0 | 116.1 | G723 | S721-G723 PolarHBondContact O-N 2.9Š|
| 722 | G | 52.6 | Low | 82.3 | Confident | 65 Ų | 65 | 31.9 Ų | 31.9 | 67% | 0.67 | 21% | 0.208 | S | C | * | . | trans | 68.5 | 13.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 723 | G | 68.2 | Low | 81.9 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 13% | 0.134 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 135.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G718 S721 | G718-G723 PolarHBondContact N-O 3.44Å; S721-G723 PolarHBondContact O-N 2.9Å |
| 724 | A | 86.8 | Confident | 81.7 | Confident | 15 Ų | 15 | 33.8 Ų | 33.8 | 12% | 0.124 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 120.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L674 F715 C741 | L674-A724 HydrophobicContact CD1-CB 3.69Å; F715-A724 HydrophobicContact CD1-CB 3.96Å; F715-A724 HydrophobicContact CE1-CB 3.99Å; A724-C741 HydrophobicContact CB-CB 4.45Å; A724-C741 VanDerWaalsContact O-CB 3.31Å; A724-C741 WeakPolarHBondContact O-CB 3.27Å; A724-C741 PolarHBondContact O-N 3.22Å |
| 725 | I | 92.1 | Very high | 81.7 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 120.7 | 170.6 | -62.7 | 173.5 | 0 | 0 | 0 | 107.7 | F715 M716 T739 L747 W766 | F715-I725 WeakPolarHBondContact CA-O 3.47Å; M716-I725 HydrophobicContact CE-CB 3.81Å; M716-I725 HydrophobicContact CE-CD1 3.6Å; M716-I725 HydrophobicContact CE-CG1 4.27Å; M716-I725 HydrophobicContact CE-CG2 3.82Å; M716-I725 PolarHBondContact N-O 2.97Å; M716-I725 PolarHBondContact O-N 3.22Å; I725-T739 WeakPolarHBondContact CA-O 3.46Å; I725-L747 HydrophobicContact CD1-CD1 4.2Å; I725-L747 HydrophobicContact CG1-CD1 4.27Å; I725-L747 HydrophobicContact CG2-CD1 4.31Å; I725-W766 HydrophobicContact CD1-CH2 4.11Å; I725-W766 HydrophobicContact CD1-CZ3 3.74Å |
| 726 | L | 95.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 134.8 | 173.7 | -179.6 | 62.8 | 0 | 0 | 0 | 109.6 | A676 V684 V686 L713 F715 T738 T739 C741 | A676-L726 HydrophobicContact CB-CD1 3.74Å; A676-L726 HydrophobicContact CB-CD2 3.92Å; V684-L726 HydrophobicContact CG1-CD2 3.62Å; V686-L726 HydrophobicContact CG2-CD2 3.49Å; V686-L726 VanDerWaalsContact CG2-CD2 3.49Å; L713-L726 HydrophobicContact CB-CD1 4.47Å; L713-L726 HydrophobicContact CD2-CD1 4.16Å; L713-L726 HydrophobicContact CD2-CG 4.48Å; F715-L726 HydrophobicContact CD1-CB 4.32Å; F715-L726 HydrophobicContact CD1-CD1 4.21Å; F715-L726 HydrophobicContact CD2-CD1 4.09Å; F715-L726 HydrophobicContact CE1-CB 4.02Å; F715-L726 HydrophobicContact CE1-CD1 4Å; F715-L726 HydrophobicContact CE2-CD1 3.89Å; F715-L726 HydrophobicContact CG-CD1 4.28Å; F715-L726 HydrophobicContact CZ-CD1 3.86Å; L726-T738 CarbonylContact O-C 3.57Å; L726-T738 VanDerWaalsContact O-CA 3.29Å; L726-T738 WeakPolarHBondContact O-CA 3.44Å; L726-T739 PolarHBondContact N-O 2.95Å; L726-T739 PolarHBondContact O-N 3.49Å; L726-C741 VanDerWaalsContact CB-SG 3.56Å |
| 727 | I | 97 | Very high | 82.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.9 | 175.3 | -55.3 | 154.2 | 0 | 0 | 0 | 106.9 | L713 A714 M716 I736 Y737 T738 L760 T762 I768 | L713-I727 WeakPolarHBondContact CA-O 3.29Å; A714-I727 HydrophobicContact CB-CB 4.44Å; A714-I727 HydrophobicContact CB-CD1 4.47Å; A714-I727 PolarHBondContact N-O 2.84Å; A714-I727 WeakPolarHBondContact O-CB 3.37Å; A714-I727 PolarHBondContact O-N 3.19Å; M716-I727 HydrophobicContact CB-CD1 3.99Å; I727-I736 HydrophobicContact CG2-CG2 3.44Å; I727-I736 VanDerWaalsContact CG2-CG2 3.44Å; I727-Y737 WeakPolarHBondContact CA-O 3.09Å; I727-T738 HydrophobicContact CG1-CG2 3.94Å; I727-T738 HydrophobicContact CG2-CG2 4.4Å; I727-L760 HydrophobicContact CG2-CD1 3.79Å; I727-L760 HydrophobicContact CG2-CD2 4.35Å; I727-T762 HydrophobicContact CD1-CG2 3.34Å; I727-I768 HydrophobicContact CD1-CD1 3.77Å; I727-I768 HydrophobicContact CD1-CG1 3.89Å; I727-I768 HydrophobicContact CG1-CD1 4.05Å; I727-I768 HydrophobicContact CG2-CD1 3.89Å; I727-I768 HydrophobicContact CG2-CG2 4.37Å |
| 728 | S | 97.9 | Very high | 82.8 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.1 | -175.8 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | H706 L713 Y737 | H706-S728 PolarHBondContact CE1-O 3.19Å; H706-S728 WeakPolarHBondContact NE2-CB 3.28Å; H706-S728 PolarHBondContact NE2-OG 3.42Å; L713-S728 VanDerWaalsContact CD2-CB 3.45Å; S728-Y737 PolarHBondContact N-O 2.83Å; S728-Y737 PolarHBondContact O-N 3.12Å; S728-Y737 PolarHBondContact OG-O 3.17Å |
| 729 | A | 97.4 | Very high | 84.2 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 155.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R711 D712 I736 I757 L760 | R711-A729 PolarHBondContact N-O 3.16Å; D712-A729 PolarHBondContact N-O 3.14Å; D712-A729 PolarHBondContact O-N 3.37Å; A729-I736 HydrophobicContact CB-CG1 4.13Å; A729-I757 HydrophobicContact CB-CB 3.81Å; A729-I757 HydrophobicContact CB-CD1 4.04Å; A729-I757 HydrophobicContact CB-CG2 3.54Å; A729-L760 HydrophobicContact CB-CD1 3.59Å; A729-L760 HydrophobicContact CB-CD2 3.87Å; A729-L760 HydrophobicContact CB-CG 3.78Å |
| 730 | G | 94.3 | Very high | 86 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | -165.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T709 I757 | T709-G730 CarbonylContact O-C 3.58Å; T709-G730 WeakPolarHBondContact O-CA 3.4Å; G730-I757 CarbonylContact C-O 3.56Å; G730-I757 PolarHBondContact O-N 3.41Å |
| 731 | A | 92.5 | Very high | 88 | Confident | 10 Ų | 10 | 19.2 Ų | 19.2 | 8% | 0.083 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -88.9 | 151 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | G708 T709 H756 | G708-A731 CarbonylContact C-O 3.6Å; G708-A731 VanDerWaalsContact C-O 3.24Å; G708-A731 WeakPolarHBondContact CA-O 3.5Å; T709-A731 PolarHBondContact N-O 3.37Å; T709-A731 VanDerWaalsContact N-O 3.13Å; T709-A731 PolarHBondContact O-N 3.05Å; A731-H756 HydrophobicContact CB-CB 3.86Å; A731-H756 VanDerWaalsContact CB-CG 3.43Å |
| 732 | G | 92 | Very high | 90 | Very high | 30 Ų | 30 | 21 Ų | 21 | 31% | 0.309 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 120.1 | -124.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | D707 C734 H756 | D707-G732 VanDerWaalsContact OD1-C 3.27Å; D707-G732 WeakPolarHBondContact OD1-CA 3.39Å; G732-C734 PolarHBondContact O-N 3.49Å; G732-C734 PolarHBondContact O-SG 3.15Å; G732-H756 PolarHBondContact N-ND1 3.01Å |
| 733 | D | 90.2 | Very high | 91.4 | Very high | 43 Ų | 43 | 26.8 Ų | 26.8 | 23% | 0.23 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -53.7 | -16.6 | 175.2 | 57.9 | 51.8 | 0 | 0 | 0 | 115.6 | D707 N735 | D707-D733 PolarHBondContact N-OD2 3.01Å; D707-D733 PolarHBondContact OD1-N 3.34Å; D733-N735 PolarHBondContact O-N 3.19Å; D733-N735 WeakPolarHBondContact OD1-CB 3.29Å; D733-N735 PolarHBondContact OD1-N 3.46Å |
| 734 | C | 93.3 | Very high | 92.1 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 8% | 0.081 | 15% | 0.147 | C | C | . | . | trans | 59 | 24.9 | 179.6 | -55.6 | 0 | 0 | 0 | 0 | 114.4 | G732 G755 I757 | G732-C734 PolarHBondContact O-N 3.49Å; G732-C734 PolarHBondContact O-SG 3.15Å; C734-G755 PolarHBondContact SG-O 3.19Å; C734-I757 WeakPolarHBondContact O-CD1 3.42Å | ||
| 735 | N | 95.4 | Very high | 92 | Very high | 30 Ų | 30 | 32.5 Ų | 32.5 | 16% | 0.16 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -92 | 159.6 | 174.5 | -64.6 | -43.9 | 0 | 0 | 0 | 111.9 | D733 Y737 L750 S751 | D733-N735 PolarHBondContact O-N 3.19Å; D733-N735 WeakPolarHBondContact OD1-CB 3.29Å; D733-N735 PolarHBondContact OD1-N 3.46Å; N735-Y737 HydrophobicContact CB-CD2 4.19Å; N735-Y737 HydrophobicContact CB-CE2 3.61Å; N735-Y737 PolarHBondContact ND2-OH 3.03Å; N735-L750 WeakPolarHBondContact CA-O 3.33Å; N735-S751 VanDerWaalsContact OD1-CA 3.28Å; N735-S751 WeakPolarHBondContact OD1-CA 3.36Å; N735-S751 WeakPolarHBondContact OD1-CB 3.17Å |
| 736 | I | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 117.6 | 164.8 | -52.7 | 175.7 | 0 | 0 | 0 | 108 | I727 A729 L750 I757 L760 W780 | I727-I736 HydrophobicContact CG2-CG2 3.44Å; I727-I736 VanDerWaalsContact CG2-CG2 3.44Å; A729-I736 HydrophobicContact CB-CG1 4.13Å; I736-L750 HydrophobicContact CB-CB 4.16Å; I736-L750 HydrophobicContact CB-CD1 4.31Å; I736-L750 HydrophobicContact CB-CG 4.46Å; I736-L750 HydrophobicContact CG2-CD1 4.48Å; I736-L750 PolarHBondContact N-O 3.25Å; I736-L750 PolarHBondContact O-N 2.85Å; I736-I757 HydrophobicContact CD1-CD1 4.18Å; I736-I757 HydrophobicContact CG1-CD1 3.41Å; I736-I757 VanDerWaalsContact CG1-CD1 3.41Å; I736-L760 HydrophobicContact CD1-CD2 3.97Å; I736-L760 HydrophobicContact CG1-CD2 4.31Å; I736-L760 HydrophobicContact CG2-CD2 4.18Å; I736-W780 HydrophobicContact CD1-CD2 4.16Å; I736-W780 HydrophobicContact CD1-CG 4.24Å; I736-W780 HydrophobicContact CD1-CZ2 4.03Å; I736-W780 VanDerWaalsContact CD1-NE1 3.3Å |
| 737 | Y | 96.1 | Very high | 91.4 | Very high | 34 Ų | 34 | 37.5 Ų | 37.5 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 134.4 | 176.5 | -68.7 | -90.2 | 0 | 0 | 0 | 111 | M705 H706 I727 S728 N735 H748 A749 | M705-Y737 HydrophobicContact CB-CD1 3.72Å; M705-Y737 HydrophobicContact CB-CD2 4.41Å; M705-Y737 HydrophobicContact CB-CE1 3.97Å; M705-Y737 HydrophobicContact CB-CG 3.97Å; M705-Y737 HydrophobicContact CE-CD1 4.1Å; M705-Y737 HydrophobicContact CE-CG 4.28Å; M705-Y737 HydrophobicContact CG-CD1 4.42Å; M705-Y737 VanDerWaalsContact O-CZ 3.32Å; M705-Y737 PolarHBondContact O-OH 3.44Å; M705-Y737 HydrophobicContact SD-CD1 3.91Å; H706-Y737 AromaticContact CE1-CD2 3.53Å; H706-Y737 AromaticContact ND1-CD2 4Å; H706-Y737 AromaticContact NE2-CD2 3.64Å; I727-Y737 WeakPolarHBondContact CA-O 3.09Å; S728-Y737 PolarHBondContact N-O 2.83Å; S728-Y737 PolarHBondContact O-N 3.12Å; S728-Y737 PolarHBondContact OG-O 3.17Å; N735-Y737 HydrophobicContact CB-CD2 4.19Å; N735-Y737 HydrophobicContact CB-CE2 3.61Å; N735-Y737 PolarHBondContact ND2-OH 3.03Å; Y737-H748 WeakPolarHBondContact CA-O 3.36Å; Y737-A749 HydrophobicContact CD1-CB 3.79Å; Y737-A749 HydrophobicContact CE1-CB 3.5Å; Y737-A749 VanDerWaalsContact CE1-CB 3.5Å |
| 738 | T | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 143.7 | 170 | 55.8 | 0 | 0 | 0 | 0 | 111.3 | L726 I727 G746 L747 H748 L782 | L726-T738 CarbonylContact O-C 3.57Å; L726-T738 VanDerWaalsContact O-CA 3.29Å; L726-T738 WeakPolarHBondContact O-CA 3.44Å; I727-T738 HydrophobicContact CG1-CG2 3.94Å; I727-T738 HydrophobicContact CG2-CG2 4.4Å; T738-G746 CarbonylContact O-C 3.55Å; T738-G746 WeakPolarHBondContact O-CA 3.27Å; T738-L747 PolarHBondContact O-N 3.04Å; T738-H748 PolarHBondContact N-O 2.87Å; T738-H748 WeakPolarHBondContact OG1-CB 3.46Å; T738-H748 PolarHBondContact OG1-N 3.43Å; T738-H748 VanDerWaalsContact OG1-N 3.11Å; T738-H748 PolarHBondContact OG1-ND1 3Å; T738-H748 PolarHBondContact OG1-O 3.17Å; T738-L782 HydrophobicContact CG2-CD1 4.05Å; T738-L782 HydrophobicContact CG2-CD2 3.5Å; T738-L782 HydrophobicContact CG2-CG 4.43Å |
| 739 | T | 93.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 127.8 | -172 | -47 | 0 | 0 | 0 | 0 | 110.4 | F703 M705 I725 L726 C741 Q745 | F703-T739 HydrophobicContact CD1-CG2 3.99Å; F703-T739 HydrophobicContact CD2-CG2 4.19Å; F703-T739 HydrophobicContact CE1-CG2 3.69Å; F703-T739 HydrophobicContact CE2-CG2 3.89Å; F703-T739 HydrophobicContact CG-CG2 4.23Å; F703-T739 HydrophobicContact CZ-CG2 3.63Å; M705-T739 WeakPolarHBondContact CE-OG1 3.37Å; I725-T739 WeakPolarHBondContact CA-O 3.46Å; L726-T739 PolarHBondContact N-O 2.95Å; L726-T739 PolarHBondContact O-N 3.49Å; T739-C741 PolarHBondContact O-N 2.99Å; T739-Q745 CarbonylContact C-O 3.53Å; T739-Q745 WeakPolarHBondContact CA-O 3.48Å; T739-Q745 WeakPolarHBondContact CG2-O 3.21Å |
| 740 | D | 90.1 | Very high | 90.6 | Very high | 24 Ų | 24 | 44.8 Ų | 44.8 | 13% | 0.128 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 112.1 | 166.8 | -179 | -24.2 | 0 | 0 | 0 | 108.7 | Q742 R743 G744 Q745 L747 | D740-Q742 VanDerWaalsContact C-N 3.31Å; D740-Q742 WeakPolarHBondContact OD1-CA 3.39Å; D740-Q742 VanDerWaalsContact OD1-CB 3.32Å; D740-Q742 WeakPolarHBondContact OD1-CB 3.45Å; D740-Q742 PolarHBondContact OD1-N 3.32Å; D740-R743 HydrophobicContact CB-CB 4.26Å; D740-R743 PolarHBondContact OD1-N 3.08Å; D740-R743 WeakPolarHBondContact OD2-CD 3.34Å; D740-R743 VanDerWaalsContact OD2-CG 3.24Å; D740-R743 WeakPolarHBondContact OD2-CG 3.43Å; D740-R743 IonicContact OD2-NE 3.32Å; D740-G744 VanDerWaalsContact O-CA 3.32Å; D740-G744 WeakPolarHBondContact O-CA 3.49Å; D740-G744 PolarHBondContact O-N 3.38Å; D740-Q745 PolarHBondContact N-O 3.29Å; D740-Q745 PolarHBondContact O-N 2.88Å; D740-L747 HydrophobicContact CB-CD1 4.14Å; D740-L747 HydrophobicContact CB-CD2 4.03Å; D740-L747 HydrophobicContact CB-CG 4.13Å |
| 741 | C | 88.3 | Confident | 90.6 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 7% | 0.068 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -16.8 | 179.6 | -64.1 | 0 | 0 | 0 | 0 | 113.6 | L674 L701 A724 L726 T739 | L674-C741 HydrophobicContact CD1-CB 3.76Å; L701-C741 WeakPolarHBondContact CD1-O 3.46Å; A724-C741 HydrophobicContact CB-CB 4.45Å; A724-C741 VanDerWaalsContact O-CB 3.31Å; A724-C741 WeakPolarHBondContact O-CB 3.27Å; A724-C741 PolarHBondContact O-N 3.22Å; L726-C741 VanDerWaalsContact CB-SG 3.56Å; T739-C741 PolarHBondContact O-N 2.99Å |
| 742 | Q | 84.4 | Confident | 90.4 | Very high | 137 Ų | 137 | 49.9 Ų | 49.9 | 64% | 0.64 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -38.8 | 177.2 | -171.6 | 173.4 | 11.1 | 0 | 0 | 111 | D740 | D740-Q742 VanDerWaalsContact C-N 3.31Å; D740-Q742 WeakPolarHBondContact OD1-CA 3.39Å; D740-Q742 VanDerWaalsContact OD1-CB 3.32Å; D740-Q742 WeakPolarHBondContact OD1-CB 3.45Å; D740-Q742 PolarHBondContact OD1-N 3.32Å |
| 743 | R | 82.5 | Confident | 90.6 | Very high | 187 Ų | 187 | 49 Ų | 49 | 71% | 0.706 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -18.8 | 175.1 | -62.8 | -178.6 | -174.1 | -158.6 | -1 | 113.7 | D740 Q745 | D740-R743 HydrophobicContact CB-CB 4.26Å; D740-R743 PolarHBondContact OD1-N 3.08Å; D740-R743 WeakPolarHBondContact OD2-CD 3.34Å; D740-R743 VanDerWaalsContact OD2-CG 3.24Å; D740-R743 WeakPolarHBondContact OD2-CG 3.43Å; D740-R743 IonicContact OD2-NE 3.32Å; R743-Q745 VanDerWaalsContact C-N 3.34Å; R743-Q745 HydrophobicContact CB-CB 4.35Å; R743-Q745 HydrophobicContact CB-CG 4.27Å |
| 744 | G | 83.5 | Confident | 90.8 | Very high | 31 Ų | 31 | 52.9 Ų | 52.9 | 32% | 0.32 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 33.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D740 | D740-G744 VanDerWaalsContact O-CA 3.32Å; D740-G744 WeakPolarHBondContact O-CA 3.49Å; D740-G744 PolarHBondContact O-N 3.38Å |
| 745 | Q | 84.4 | Confident | 91 | Very high | 117 Ų | 117 | 52.9 Ų | 52.9 | 55% | 0.547 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.2 | -173 | -69.8 | -177.8 | -3.2 | 0 | 0 | 111.7 | T739 D740 R743 | T739-Q745 CarbonylContact C-O 3.53Å; T739-Q745 WeakPolarHBondContact CA-O 3.48Å; T739-Q745 WeakPolarHBondContact CG2-O 3.21Å; D740-Q745 PolarHBondContact N-O 3.29Å; D740-Q745 PolarHBondContact O-N 2.88Å; R743-Q745 VanDerWaalsContact C-N 3.34Å; R743-Q745 HydrophobicContact CB-CB 4.35Å; R743-Q745 HydrophobicContact CB-CG 4.27Å |
| 746 | G | 86.8 | Confident | 91.1 | Very high | 44 Ų | 44 | 54.7 Ų | 54.7 | 45% | 0.454 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 137.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T738 | T738-G746 CarbonylContact O-C 3.55Å; T738-G746 WeakPolarHBondContact O-CA 3.27Å |
| 747 | L | 87.9 | Confident | 91.1 | Very high | 75 Ų | 75 | 54.8 Ų | 54.8 | 39% | 0.393 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -57.9 | -178.7 | -61.7 | 176.8 | 0 | 0 | 0 | 111.2 | I725 T738 D740 | I725-L747 HydrophobicContact CD1-CD1 4.2Å; I725-L747 HydrophobicContact CG1-CD1 4.27Å; I725-L747 HydrophobicContact CG2-CD1 4.31Å; T738-L747 PolarHBondContact O-N 3.04Å; D740-L747 HydrophobicContact CB-CD1 4.14Å; D740-L747 HydrophobicContact CB-CD2 4.03Å; D740-L747 HydrophobicContact CB-CG 4.13Å |
| 748 | H | 89.6 | Confident | 91.2 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 42% | 0.417 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148.1 | -177 | -47.9 | 97.6 | 0 | 0 | 0 | 111.5 | Y737 T738 L750 | Y737-H748 WeakPolarHBondContact CA-O 3.36Å; T738-H748 PolarHBondContact N-O 2.87Å; T738-H748 WeakPolarHBondContact OG1-CB 3.46Å; T738-H748 PolarHBondContact OG1-N 3.43Å; T738-H748 VanDerWaalsContact OG1-N 3.11Å; T738-H748 PolarHBondContact OG1-ND1 3Å; T738-H748 PolarHBondContact OG1-O 3.17Å; H748-L750 HydrophobicContact CB-CD2 3.99Å |
| 749 | A | 92.7 | Very high | 91.4 | Very high | 55 Ų | 55 | 54.1 Ų | 54.1 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 102.1 | 164 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y737 S751 | Y737-A749 HydrophobicContact CD1-CB 3.79Å; Y737-A749 HydrophobicContact CE1-CB 3.5Å; Y737-A749 VanDerWaalsContact CE1-CB 3.5Å; A749-S751 PolarHBondContact O-N 3.1Å |
| 750 | L | 94.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.052 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 113.5 | -179.6 | -45.8 | 177.4 | 0 | 0 | 0 | 109 | N735 I736 H748 I768 W780 L782 | N735-L750 WeakPolarHBondContact CA-O 3.33Å; I736-L750 HydrophobicContact CB-CB 4.16Å; I736-L750 HydrophobicContact CB-CD1 4.31Å; I736-L750 HydrophobicContact CB-CG 4.46Å; I736-L750 HydrophobicContact CG2-CD1 4.48Å; I736-L750 PolarHBondContact N-O 3.25Å; I736-L750 PolarHBondContact O-N 2.85Å; H748-L750 HydrophobicContact CB-CD2 3.99Å; L750-I768 HydrophobicContact CD1-CD1 4.31Å; L750-W780 HydrophobicContact CB-CD2 4.42Å; L750-W780 HydrophobicContact CB-CE3 3.78Å; L750-W780 HydrophobicContact CB-CH2 4.5Å; L750-W780 HydrophobicContact CB-CZ3 3.82Å; L750-W780 HydrophobicContact CD1-CB 3.91Å; L750-W780 HydrophobicContact CD1-CD2 4.09Å; L750-W780 HydrophobicContact CD1-CE3 3.99Å; L750-W780 HydrophobicContact CD1-CG 4.08Å; L750-W780 HydrophobicContact CG-CE3 4.44Å; L750-L782 HydrophobicContact CD1-CD2 3.83Å; L750-L782 HydrophobicContact CD2-CD2 4.25Å; L750-L782 HydrophobicContact CG-CD2 4.39Å |
| 751 | S | 92.8 | Very high | 91.9 | Very high | 83 Ų | 83 | 54.7 Ų | 54.7 | 58% | 0.58 | 31% | 0.31 | S | S | * | . | trans | -101.7 | 156.2 | 179.9 | 64.2 | 0 | 0 | 0 | 0 | 112 | N735 A749 W780 | N735-S751 VanDerWaalsContact OD1-CA 3.28Å; N735-S751 WeakPolarHBondContact OD1-CA 3.36Å; N735-S751 WeakPolarHBondContact OD1-CB 3.17Å; A749-S751 PolarHBondContact O-N 3.1Å; S751-W780 WeakPolarHBondContact O-CH2 3.47Å; S751-W780 WeakPolarHBondContact O-CZ3 3.37Å | ||
| 752 | G | 90.3 | Very high | 92.2 | Very high | 34 Ų | 34 | 55.5 Ų | 55.5 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | trans | 145.2 | -21.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R778 | G752-R778 VanDerWaalsContact C-NH1 3.33Å; G752-R778 PolarHBondContact O-NH1 3.25Å; G752-R778 PolarHBondContact O-NH2 3.49Å | ||
| 753 | H | 95.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 51.6 Ų | 51.6 | 6% | 0.06 | 29% | 0.294 | C | S | . | . | trans | -66 | 140.3 | 167.7 | -87.4 | -61.4 | 0 | 0 | 0 | 110.1 | I757 S770 S772 D774 T776 R778 W780 | H753-I757 HydrophobicContact CB-CD1 4.32Å; H753-I757 HydrophobicContact CB-CG1 4.16Å; H753-S770 PolarHBondContact NE2-OG 3.27Å; H753-S772 WeakPolarHBondContact CE1-CB 3.43Å; H753-S772 WeakPolarHBondContact ND1-CB 3.22Å; H753-D774 WeakPolarHBondContact CA-OD2 3.42Å; H753-D774 IonicContact CE1-OD1 3.13Å; H753-D774 IonicContact CE1-OD2 3.04Å; H753-D774 IonicContact CG-OD2 2.87Å; H753-D774 VanDerWaalsContact ND1-CG 3.34Å; H753-D774 IonicContact ND1-OD1 3.63Å; H753-D774 PolarHBondContact ND1-OD1 3.26Å; H753-D774 IonicContact ND1-OD2 2.81Å; H753-D774 PolarHBondContact ND1-OD2 3.3Å; H753-T776 PolarHBondContact CE1-OG1 3.23Å; H753-T776 PolarHBondContact ND1-OG1 3.49Å; H753-R778 VanDerWaalsContact CE1-CD 3.48Å; H753-R778 WeakPolarHBondContact CE1-CD 3.45Å; H753-R778 VanDerWaalsContact CE1-CG 3.47Å; H753-R778 WeakPolarHBondContact CE1-CG 3.28Å; H753-R778 PolarHBondContact ND1-NE 2.87Å; H753-W780 AromaticContact CD2-CZ2 3.79Å | ||
| 754 | T | 95.1 | Very high | 92.1 | Very high | 123 Ų | 123 | 44.9 Ų | 44.9 | 76% | 0.755 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -103.5 | 12.8 | -179.8 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | D774 | T754-D774 PolarHBondContact N-OD2 3.39Å; T754-D774 VanDerWaalsContact N-OD2 3.1Å; T754-D774 WeakPolarHBondContact OG1-CB 3.36Å |
| 755 | G | 96.3 | Very high | 92 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -160.2 | 164.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C734 I757 S772 | C734-G755 PolarHBondContact SG-O 3.19Å; G755-I757 PolarHBondContact O-N 3.28Å; G755-S772 VanDerWaalsContact C-OG 3.25Å; G755-S772 PolarHBondContact O-OG 3.37Å |
| 756 | H | 97.4 | Very high | 92.1 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | trans | -55.2 | 133 | -170.8 | -59.8 | -21.7 | 0 | 0 | 0 | 112.4 | A731 G732 L758 S772 Q773 | A731-H756 HydrophobicContact CB-CB 3.86Å; A731-H756 VanDerWaalsContact CB-CG 3.43Å; G732-H756 PolarHBondContact N-ND1 3.01Å; H756-L758 HydrophobicContact CB-CD2 4.4Å; H756-S772 WeakPolarHBondContact O-CA 3.49Å; H756-S772 PolarHBondContact O-OG 3.22Å; H756-Q773 HydrophobicContact CB-CB 4.36Å; H756-Q773 PolarHBondContact CD2-OE1 3.46Å; H756-Q773 VanDerWaalsContact CD2-OE1 3.24Å; H756-Q773 PolarHBondContact O-N 3.23Å | ||
| 757 | I | 98.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 124.4 | 175.9 | -54 | -179.7 | 0 | 0 | 0 | 107.7 | R711 A729 G730 C734 I736 H753 G755 L760 | R711-I757 VanDerWaalsContact CB-O 3.31Å; R711-I757 WeakPolarHBondContact CB-O 3.48Å; R711-I757 WeakPolarHBondContact CG-O 3.36Å; A729-I757 HydrophobicContact CB-CB 3.81Å; A729-I757 HydrophobicContact CB-CD1 4.04Å; A729-I757 HydrophobicContact CB-CG2 3.54Å; G730-I757 CarbonylContact C-O 3.56Å; G730-I757 PolarHBondContact O-N 3.41Å; C734-I757 WeakPolarHBondContact O-CD1 3.42Å; I736-I757 HydrophobicContact CD1-CD1 4.18Å; I736-I757 HydrophobicContact CG1-CD1 3.41Å; I736-I757 VanDerWaalsContact CG1-CD1 3.41Å; H753-I757 HydrophobicContact CB-CD1 4.32Å; H753-I757 HydrophobicContact CB-CG1 4.16Å; G755-I757 PolarHBondContact O-N 3.28Å; I757-L760 HydrophobicContact CG2-CD2 4.49Å |
| 758 | L | 97.8 | Very high | 92.8 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -22.9 | -170.6 | -61.3 | 178.8 | 0 | 0 | 0 | 112.9 | R711 H756 G771 Q773 | R711-L758 HydrophobicContact CG-CD2 4.41Å; H756-L758 HydrophobicContact CB-CD2 4.4Å; L758-G771 PolarHBondContact N-O 2.85Å; L758-Q773 HydrophobicContact CD1-CB 4.33Å |
| 759 | S | 97.8 | Very high | 93.1 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 150.8 | 177.4 | -169.3 | 0 | 0 | 0 | 0 | 113 | D712 S770 G771 V805 | D712-S759 WeakPolarHBondContact OD2-CA 3.47Å; D712-S759 PolarHBondContact OD2-OG 2.98Å; S759-S770 WeakPolarHBondContact O-CA 3.41Å; S759-G771 PolarHBondContact N-O 3.27Å; S759-G771 PolarHBondContact O-N 3.25Å; S759-V805 PolarHBondContact OG-N 3.15Å |
| 760 | L | 98 | Very high | 93.4 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 148.6 | 176.3 | -71.2 | 172.4 | 0 | 0 | 0 | 110.7 | D712 A714 I727 A729 I736 I757 I768 A769 | D712-L760 HydrophobicContact CB-CB 4.19Å; D712-L760 HydrophobicContact CB-CG 4.32Å; D712-L760 PolarHBondContact OD2-N 3.45Å; A714-L760 HydrophobicContact CB-CB 4.37Å; I727-L760 HydrophobicContact CG2-CD1 3.79Å; I727-L760 HydrophobicContact CG2-CD2 4.35Å; A729-L760 HydrophobicContact CB-CD1 3.59Å; A729-L760 HydrophobicContact CB-CD2 3.87Å; A729-L760 HydrophobicContact CB-CG 3.78Å; I736-L760 HydrophobicContact CD1-CD2 3.97Å; I736-L760 HydrophobicContact CG1-CD2 4.31Å; I736-L760 HydrophobicContact CG2-CD2 4.18Å; I757-L760 HydrophobicContact CG2-CD2 4.49Å; L760-I768 HydrophobicContact CD2-CG2 4Å; L760-A769 CarbonylContact C-O 3.58Å; L760-A769 WeakPolarHBondContact CA-O 3.37Å |
| 761 | Y | 96.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 33.2 Ų | 33.2 | 14% | 0.141 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 142.7 | 171.2 | -159.1 | -92.1 | 0 | 0 | 0 | 111.9 | W763 I768 A769 A806 V807 | Y761-W763 HydrophobicContact CD1-CB 4.29Å; Y761-W763 HydrophobicContact CD1-CE3 4.45Å; Y761-W763 HydrophobicContact CE1-CB 3.97Å; Y761-I768 CarbonylContact O-C 3.54Å; Y761-I768 WeakPolarHBondContact O-CA 3.43Å; Y761-A769 PolarHBondContact N-O 3.09Å; Y761-A769 PolarHBondContact O-N 3.36Å; Y761-A806 HydrophobicContact CD2-CB 4.04Å; Y761-A806 HydrophobicContact CE2-CB 3.92Å; Y761-V807 HydrophobicContact CD1-CB 3.82Å; Y761-V807 HydrophobicContact CD1-CG2 4.2Å; Y761-V807 VanDerWaalsContact CD1-N 3.26Å; Y761-V807 HydrophobicContact CE1-CB 3.9Å; Y761-V807 VanDerWaalsContact CE1-N 3.28Å; Y761-V807 WeakPolarHBondContact CE1-O 3.49Å; Y761-V807 PolarHBondContact OH-O 2.71Å |
| 762 | T | 93.7 | Very high | 93.8 | Very high | 28 Ų | 28 | 29.3 Ų | 29.3 | 17% | 0.172 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.3 | 172.2 | 46.8 | 0 | 0 | 0 | 0 | 108.9 | A714 F715 I727 I768 | A714-T762 HydrophobicContact CB-CG2 4.14Å; F715-T762 PolarHBondContact O-OG1 3.48Å; I727-T762 HydrophobicContact CD1-CG2 3.34Å; T762-I768 HydrophobicContact CG2-CG1 4.33Å |
| 763 | W | 88.1 | Confident | 94.2 | Very high | 55 Ų | 55 | 32 Ų | 32 | 21% | 0.208 | 19% | 0.187 | C | C | . | . | trans | -136.7 | 11.7 | -177.7 | 71.9 | 92.6 | 0 | 0 | 0 | 114.6 | Y761 M767 A769 F779 V807 | Y761-W763 HydrophobicContact CD1-CB 4.29Å; Y761-W763 HydrophobicContact CD1-CE3 4.45Å; Y761-W763 HydrophobicContact CE1-CB 3.97Å; W763-M767 HydrophobicContact CD2-CB 4.37Å; W763-M767 HydrophobicContact CE3-CB 4.41Å; W763-M767 HydrophobicContact CH2-CB 3.6Å; W763-M767 HydrophobicContact CH2-CG 4.47Å; W763-M767 HydrophobicContact CH2-SD 4.38Å; W763-M767 HydrophobicContact CZ2-CB 3.56Å; W763-M767 HydrophobicContact CZ2-CG 4.11Å; W763-M767 HydrophobicContact CZ2-SD 4.03Å; W763-M767 HydrophobicContact CZ3-CB 4.05Å; W763-A769 HydrophobicContact CZ3-CB 3.77Å; W763-F779 AromaticContact CH2-CD1 3.59Å; W763-F779 HydrophobicContact CH2-CD1 3.59Å; W763-F779 AromaticContact CH2-CE1 3.92Å; W763-F779 HydrophobicContact CH2-CE1 3.92Å; W763-F779 HydrophobicContact CZ2-CD1 4.47Å; W763-F779 HydrophobicContact CZ3-CD1 4.2Å; W763-F779 HydrophobicContact CZ3-CE1 4.39Å; W763-V807 HydrophobicContact CB-CB 3.98Å; W763-V807 HydrophobicContact CB-CG1 3.96Å; W763-V807 HydrophobicContact CD2-CB 3.86Å; W763-V807 HydrophobicContact CD2-CG1 3.68Å; W763-V807 HydrophobicContact CD2-CG2 3.98Å; W763-V807 HydrophobicContact CE3-CB 3.92Å; W763-V807 HydrophobicContact CE3-CG1 4.22Å; W763-V807 HydrophobicContact CE3-CG2 3.64Å; W763-V807 HydrophobicContact CG-CB 3.91Å; W763-V807 HydrophobicContact CG-CG1 3.54Å; W763-V807 HydrophobicContact CZ3-CG2 3.99Å | ||
| 764 | G | 76.9 | Confident | 94.2 | Very high | 46 Ų | 46 | 32.5 Ų | 32.5 | 47% | 0.474 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 130.2 | 155 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 765 | G | 81.8 | Confident | 94.2 | Very high | 62 Ų | 62 | 30.4 Ų | 30.4 | 64% | 0.639 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -141.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 766 | W | 87.4 | Confident | 94.2 | Very high | 70 Ų | 70 | 30.8 Ų | 30.8 | 27% | 0.265 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 19.4 | -176.8 | -67.6 | 100.4 | 0 | 0 | 0 | 113.7 | M716 P719 I725 D781 L782 R783 | M716-W766 HydrophobicContact CE-CD2 4.49Å; M716-W766 HydrophobicContact CE-CE3 3.43Å; M716-W766 VanDerWaalsContact CE-CE3 3.43Å; M716-W766 HydrophobicContact CE-CZ3 3.57Å; M716-W766 HydrophobicContact SD-CE3 3.99Å; P719-W766 HydrophobicContact CG-CH2 4.19Å; P719-W766 HydrophobicContact CG-CZ2 3.37Å; I725-W766 HydrophobicContact CD1-CH2 4.11Å; I725-W766 HydrophobicContact CD1-CZ3 3.74Å; W766-D781 WeakPolarHBondContact CB-OD1 3.42Å; W766-D781 WeakPolarHBondContact O-CA 3.5Å; W766-L782 HydrophobicContact CB-CB 4.34Å; W766-L782 HydrophobicContact CD2-CB 4.49Å; W766-L782 HydrophobicContact CE3-CB 3.71Å; W766-L782 HydrophobicContact CE3-CD1 3.97Å; W766-L782 HydrophobicContact CZ3-CB 4.34Å; W766-L782 HydrophobicContact CZ3-CD1 4.41Å; W766-L782 PolarHBondContact O-N 3.45Å; W766-R783 HydrophobicContact CB-CG 4.06Å; W766-R783 VanDerWaalsContact CD1-CD 3.44Å; W766-R783 HydrophobicContact CD2-CG 4.22Å; W766-R783 HydrophobicContact CG-CG 3.76Å |
| 767 | M | 92.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 27.6 Ų | 27.6 | 22% | 0.222 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 131.4 | -166.7 | -64.3 | -104.1 | 59.3 | 0 | 0 | 113.2 | W763 W780 D781 | W763-M767 HydrophobicContact CD2-CB 4.37Å; W763-M767 HydrophobicContact CE3-CB 4.41Å; W763-M767 HydrophobicContact CH2-CB 3.6Å; W763-M767 HydrophobicContact CH2-CG 4.47Å; W763-M767 HydrophobicContact CH2-SD 4.38Å; W763-M767 HydrophobicContact CZ2-CB 3.56Å; W763-M767 HydrophobicContact CZ2-CG 4.11Å; W763-M767 HydrophobicContact CZ2-SD 4.03Å; W763-M767 HydrophobicContact CZ3-CB 4.05Å; M767-W780 WeakPolarHBondContact CA-O 3.3Å; M767-W780 WeakPolarHBondContact CE-O 3.43Å; M767-D781 HydrophobicContact CE-CB 3.73Å |
| 768 | I | 95.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.1 | 178.1 | -47.3 | 172.4 | 0 | 0 | 0 | 109.2 | I727 L750 L760 Y761 T762 F779 W780 L782 | I727-I768 HydrophobicContact CD1-CD1 3.77Å; I727-I768 HydrophobicContact CD1-CG1 3.89Å; I727-I768 HydrophobicContact CG1-CD1 4.05Å; I727-I768 HydrophobicContact CG2-CD1 3.89Å; I727-I768 HydrophobicContact CG2-CG2 4.37Å; L750-I768 HydrophobicContact CD1-CD1 4.31Å; L760-I768 HydrophobicContact CD2-CG2 4Å; Y761-I768 CarbonylContact O-C 3.54Å; Y761-I768 WeakPolarHBondContact O-CA 3.43Å; T762-I768 HydrophobicContact CG2-CG1 4.33Å; I768-F779 CarbonylContact O-C 3.59Å; I768-F779 WeakPolarHBondContact O-CA 3.27Å; I768-W780 HydrophobicContact CB-CB 4.24Å; I768-W780 PolarHBondContact N-O 2.99Å; I768-W780 PolarHBondContact O-N 2.89Å; I768-L782 HydrophobicContact CD1-CD1 3.92Å; I768-L782 HydrophobicContact CD1-CD2 3.92Å; I768-L782 HydrophobicContact CD1-CG 3.82Å |
| 769 | A | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L760 Y761 W763 R778 F779 V807 | L760-A769 CarbonylContact C-O 3.58Å; L760-A769 WeakPolarHBondContact CA-O 3.37Å; Y761-A769 PolarHBondContact N-O 3.09Å; Y761-A769 PolarHBondContact O-N 3.36Å; W763-A769 HydrophobicContact CZ3-CB 3.77Å; A769-R778 CarbonylContact C-O 3.6Å; A769-R778 WeakPolarHBondContact CA-O 3.49Å; A769-F779 HydrophobicContact CB-CD1 3.97Å; A769-F779 HydrophobicContact CB-CE1 3.99Å; A769-V807 HydrophobicContact CB-CG2 4.32Å |
| 770 | S | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.3 | 176.3 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | H753 S759 V777 R778 W780 | H753-S770 PolarHBondContact NE2-OG 3.27Å; S759-S770 WeakPolarHBondContact O-CA 3.41Å; S770-V777 CarbonylContact O-C 3.57Å; S770-V777 VanDerWaalsContact O-CA 3.22Å; S770-V777 WeakPolarHBondContact O-CA 3.25Å; S770-V777 WeakPolarHBondContact O-CG1 3.42Å; S770-R778 PolarHBondContact N-O 3.35Å; S770-R778 PolarHBondContact O-N 3.29Å; S770-R778 PolarHBondContact OG-O 3.12Å; S770-W780 PolarHBondContact OG-NE1 3.5Å |
| 771 | G | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 134.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L758 S759 V802 | L758-G771 PolarHBondContact N-O 2.85Å; S759-G771 PolarHBondContact N-O 3.27Å; S759-G771 PolarHBondContact O-N 3.25Å; G771-V802 CarbonylContact C-O 3.5Å |
| 772 | S | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 158.1 | -176 | 171.1 | 0 | 0 | 0 | 0 | 113.8 | H753 G755 H756 D774 K775 T776 V802 | H753-S772 WeakPolarHBondContact CE1-CB 3.43Å; H753-S772 WeakPolarHBondContact ND1-CB 3.22Å; G755-S772 VanDerWaalsContact C-OG 3.25Å; G755-S772 PolarHBondContact O-OG 3.37Å; H756-S772 WeakPolarHBondContact O-CA 3.49Å; H756-S772 PolarHBondContact O-OG 3.22Å; S772-D774 VanDerWaalsContact CB-OD1 3.32Å; S772-D774 WeakPolarHBondContact CB-OD1 3.22Å; S772-D774 PolarHBondContact O-N 2.9Å; S772-D774 PolarHBondContact OG-N 2.95Å; S772-D774 PolarHBondContact OG-OD1 2.86Å; S772-K775 PolarHBondContact O-N 3.4Å; S772-T776 PolarHBondContact N-O 3.46Å; S772-V802 PolarHBondContact O-N 3.5Å |
| 773 | Q | 97.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 33.2 Ų | 33.2 | 42% | 0.421 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.7 | 167.3 | -160.7 | 175.1 | 3.5 | 0 | 0 | 113.3 | H756 L758 K775 P801 | H756-Q773 HydrophobicContact CB-CB 4.36Å; H756-Q773 PolarHBondContact CD2-OE1 3.46Å; H756-Q773 VanDerWaalsContact CD2-OE1 3.24Å; H756-Q773 PolarHBondContact O-N 3.23Å; L758-Q773 HydrophobicContact CD1-CB 4.33Å; Q773-K775 PolarHBondContact O-N 3.17Å; Q773-K775 VanDerWaalsContact O-N 3.11Å; Q773-P801 HydrophobicContact CG-CB 4.37Å; Q773-P801 HydrophobicContact CG-CG 4.27Å |
| 774 | D | 95.8 | Very high | 92.6 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.134 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 5.9 | 170.4 | 76.6 | 4.5 | 0 | 0 | 0 | 114.6 | H753 T754 S772 T776 R778 | H753-D774 WeakPolarHBondContact CA-OD2 3.42Å; H753-D774 IonicContact CE1-OD1 3.13Å; H753-D774 IonicContact CE1-OD2 3.04Å; H753-D774 IonicContact CG-OD2 2.87Å; H753-D774 VanDerWaalsContact ND1-CG 3.34Å; H753-D774 IonicContact ND1-OD1 3.63Å; H753-D774 PolarHBondContact ND1-OD1 3.26Å; H753-D774 IonicContact ND1-OD2 2.81Å; H753-D774 PolarHBondContact ND1-OD2 3.3Å; T754-D774 PolarHBondContact N-OD2 3.39Å; T754-D774 VanDerWaalsContact N-OD2 3.1Å; T754-D774 WeakPolarHBondContact OG1-CB 3.36Å; S772-D774 VanDerWaalsContact CB-OD1 3.32Å; S772-D774 WeakPolarHBondContact CB-OD1 3.22Å; S772-D774 PolarHBondContact O-N 2.9Å; S772-D774 PolarHBondContact OG-N 2.95Å; S772-D774 PolarHBondContact OG-OD1 2.86Å; D774-T776 VanDerWaalsContact CG-OG1 3.3Å; D774-T776 PolarHBondContact O-N 2.91Å; D774-T776 WeakPolarHBondContact OD1-CB 3.45Å; D774-T776 PolarHBondContact OD1-N 3.24Å; D774-T776 PolarHBondContact OD1-OG1 3.21Å; D774-T776 PolarHBondContact OD2-OG1 3.44Å; D774-R778 IonicContact OD2-NE 3.31Å; D774-R778 IonicContact OD2-NH2 3.38Å |
| 775 | K | 96.1 | Very high | 92.4 | Very high | 78 Ų | 78 | 37.1 Ų | 37.1 | 34% | 0.339 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 69.1 | 17.4 | 178.7 | -47 | 165.1 | 169.7 | -137.6 | 0 | 113.4 | S772 Q773 T793 S798 G799 | S772-K775 PolarHBondContact O-N 3.4Å; Q773-K775 PolarHBondContact O-N 3.17Å; Q773-K775 VanDerWaalsContact O-N 3.11Å; K775-T793 PolarHBondContact O-N 3.31Å; K775-T793 VanDerWaalsContact O-N 3.17Å; K775-T793 PolarHBondContact O-OG1 3.4Å; K775-T793 VanDerWaalsContact O-OG1 3.09Å; K775-S798 PolarHBondContact NZ-OG 3.21Å; K775-G799 WeakPolarHBondContact CD-O 3.27Å; K775-G799 VanDerWaalsContact CE-O 3.22Å; K775-G799 WeakPolarHBondContact CE-O 3.13Å; K775-G799 PolarHBondContact NZ-O 3.43Å |
| 776 | T | 96.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 14% | 0.135 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 149.4 | 175.8 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | H753 S772 D774 R778 V790 V791 | H753-T776 PolarHBondContact CE1-OG1 3.23Å; H753-T776 PolarHBondContact ND1-OG1 3.49Å; S772-T776 PolarHBondContact N-O 3.46Å; D774-T776 VanDerWaalsContact CG-OG1 3.3Å; D774-T776 PolarHBondContact O-N 2.91Å; D774-T776 WeakPolarHBondContact OD1-CB 3.45Å; D774-T776 PolarHBondContact OD1-N 3.24Å; D774-T776 PolarHBondContact OD1-OG1 3.21Å; D774-T776 PolarHBondContact OD2-OG1 3.44Å; T776-R778 PolarHBondContact OG1-NE 3.49Å; T776-V790 HydrophobicContact CG2-CG1 3.77Å; T776-V791 CarbonylContact C-O 3.57Å; T776-V791 WeakPolarHBondContact CA-O 2.98Å |
| 777 | V | 97.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 137.7 | 152.6 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | S770 V791 V802 V805 L814 T816 | S770-V777 CarbonylContact O-C 3.57Å; S770-V777 VanDerWaalsContact O-CA 3.22Å; S770-V777 WeakPolarHBondContact O-CA 3.25Å; S770-V777 WeakPolarHBondContact O-CG1 3.42Å; V777-V791 HydrophobicContact CB-CB 4.45Å; V777-V791 PolarHBondContact N-O 2.85Å; V777-V791 PolarHBondContact O-N 3.48Å; V777-V802 HydrophobicContact CG2-CB 4.34Å; V777-V802 HydrophobicContact CG2-CG1 3.88Å; V777-V802 HydrophobicContact CG2-CG2 3.83Å; V777-V805 HydrophobicContact CG1-CG1 4.27Å; V777-V805 HydrophobicContact CG2-CG1 3.79Å; V777-L814 HydrophobicContact CB-CD2 4.34Å; V777-L814 HydrophobicContact CG1-CD1 4.47Å; V777-L814 HydrophobicContact CG1-CD2 3.89Å; V777-L814 HydrophobicContact CG2-CD2 4.33Å; V777-T816 HydrophobicContact CG2-CG2 3.71Å |
| 778 | R | 97.1 | Very high | 92.6 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 14% | 0.14 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.5 | 173.2 | -67.1 | -173.9 | -173.2 | -142.7 | 12.6 | 111.4 | G752 H753 A769 S770 D774 T776 W780 R789 V790 | G752-R778 VanDerWaalsContact C-NH1 3.33Å; G752-R778 PolarHBondContact O-NH1 3.25Å; G752-R778 PolarHBondContact O-NH2 3.49Å; H753-R778 VanDerWaalsContact CE1-CD 3.48Å; H753-R778 WeakPolarHBondContact CE1-CD 3.45Å; H753-R778 VanDerWaalsContact CE1-CG 3.47Å; H753-R778 WeakPolarHBondContact CE1-CG 3.28Å; H753-R778 PolarHBondContact ND1-NE 2.87Å; A769-R778 CarbonylContact C-O 3.6Å; A769-R778 WeakPolarHBondContact CA-O 3.49Å; S770-R778 PolarHBondContact N-O 3.35Å; S770-R778 PolarHBondContact O-N 3.29Å; S770-R778 PolarHBondContact OG-O 3.12Å; D774-R778 IonicContact OD2-NE 3.31Å; D774-R778 IonicContact OD2-NH2 3.38Å; T776-R778 PolarHBondContact OG1-NE 3.49Å; R778-W780 HydrophobicContact CB-CZ2 3.77Å; R778-W780 HydrophobicContact CG-CZ2 4.36Å; R778-R789 WeakPolarHBondContact CA-O 3.27Å; R778-V790 HydrophobicContact CG-CG1 4.19Å; R778-V790 HydrophobicContact CG-CG2 4.17Å |
| 779 | F | 96.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.3 | 173.1 | -65.4 | -71.7 | 0 | 0 | 0 | 109.2 | W763 I768 A769 V788 R789 V791 L814 Y826 I828 | W763-F779 AromaticContact CH2-CD1 3.59Å; W763-F779 HydrophobicContact CH2-CD1 3.59Å; W763-F779 AromaticContact CH2-CE1 3.92Å; W763-F779 HydrophobicContact CH2-CE1 3.92Å; W763-F779 HydrophobicContact CZ2-CD1 4.47Å; W763-F779 HydrophobicContact CZ3-CD1 4.2Å; W763-F779 HydrophobicContact CZ3-CE1 4.39Å; I768-F779 CarbonylContact O-C 3.59Å; I768-F779 WeakPolarHBondContact O-CA 3.27Å; A769-F779 HydrophobicContact CB-CD1 3.97Å; A769-F779 HydrophobicContact CB-CE1 3.99Å; F779-V788 PolarHBondContact O-N 3.37Å; F779-R789 HydrophobicContact CB-CB 4.26Å; F779-R789 HydrophobicContact CD2-CB 3.96Å; F779-R789 HydrophobicContact CD2-CG 4.19Å; F779-R789 PolarHBondContact N-O 3.32Å; F779-R789 PolarHBondContact O-N 3.4Å; F779-V791 HydrophobicContact CD2-CG2 4.32Å; F779-V791 HydrophobicContact CE2-CG2 3.84Å; F779-L814 HydrophobicContact CE2-CD2 4.48Å; F779-L814 HydrophobicContact CZ-CB 4.34Å; F779-L814 HydrophobicContact CZ-CD2 3.85Å; F779-L814 HydrophobicContact CZ-CG 4.46Å; F779-Y826 HydrophobicContact CE2-CE1 4.11Å; F779-Y826 HydrophobicContact CZ-CE1 4.44Å; F779-I828 HydrophobicContact CE1-CD1 4.26Å; F779-I828 HydrophobicContact CZ-CD1 4.29Å; F779-I828 HydrophobicContact CZ-CG1 4.06Å; F779-I828 HydrophobicContact CZ-CG2 4.45Å |
| 780 | W | 95.4 | Very high | 92.4 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.4 | -177 | -44.6 | 80.2 | 0 | 0 | 0 | 109.5 | I736 L750 S751 H753 M767 I768 S770 R778 C787 | I736-W780 HydrophobicContact CD1-CD2 4.16Å; I736-W780 HydrophobicContact CD1-CG 4.24Å; I736-W780 HydrophobicContact CD1-CZ2 4.03Å; I736-W780 VanDerWaalsContact CD1-NE1 3.3Å; L750-W780 HydrophobicContact CB-CD2 4.42Å; L750-W780 HydrophobicContact CB-CE3 3.78Å; L750-W780 HydrophobicContact CB-CH2 4.5Å; L750-W780 HydrophobicContact CB-CZ3 3.82Å; L750-W780 HydrophobicContact CD1-CB 3.91Å; L750-W780 HydrophobicContact CD1-CD2 4.09Å; L750-W780 HydrophobicContact CD1-CE3 3.99Å; L750-W780 HydrophobicContact CD1-CG 4.08Å; L750-W780 HydrophobicContact CG-CE3 4.44Å; S751-W780 WeakPolarHBondContact O-CH2 3.47Å; S751-W780 WeakPolarHBondContact O-CZ3 3.37Å; H753-W780 AromaticContact CD2-CZ2 3.79Å; M767-W780 WeakPolarHBondContact CA-O 3.3Å; M767-W780 WeakPolarHBondContact CE-O 3.43Å; I768-W780 HydrophobicContact CB-CB 4.24Å; I768-W780 PolarHBondContact N-O 2.99Å; I768-W780 PolarHBondContact O-N 2.89Å; S770-W780 PolarHBondContact OG-NE1 3.5Å; R778-W780 HydrophobicContact CB-CZ2 3.77Å; R778-W780 HydrophobicContact CG-CZ2 4.36Å; W780-C787 HydrophobicContact CD2-CB 4.3Å; W780-C787 HydrophobicContact CE3-CB 3.81Å; W780-C787 HydrophobicContact CH2-CB 3.99Å; W780-C787 HydrophobicContact CZ2-CB 4.43Å; W780-C787 HydrophobicContact CZ3-CB 3.65Å |
| 781 | D | 91.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.6 | 168.7 | -172.6 | -26.2 | 0 | 0 | 0 | 106.9 | W766 M767 R783 V784 V788 | W766-D781 WeakPolarHBondContact CB-OD1 3.42Å; W766-D781 WeakPolarHBondContact O-CA 3.5Å; M767-D781 HydrophobicContact CE-CB 3.73Å; D781-R783 PolarHBondContact O-N 2.84Å; D781-R783 VanDerWaalsContact OD1-CB 3.29Å; D781-R783 WeakPolarHBondContact OD1-CB 3.4Å; D781-R783 WeakPolarHBondContact OD1-CG 3.35Å; D781-R783 IonicContact OD1-CZ 3.6Å; D781-R783 PolarHBondContact OD1-N 2.99Å; D781-R783 IonicContact OD1-NE 2.78Å; D781-R783 PolarHBondContact OD1-NE 3.22Å; D781-R783 IonicContact OD1-NH2 3.44Å; D781-R783 IonicContact OD2-CZ 2.92Å; D781-R783 IonicContact OD2-NE 3.39Å; D781-R783 PolarHBondContact OD2-NE 2.93Å; D781-R783 IonicContact OD2-NH2 3.52Å; D781-R783 PolarHBondContact OD2-NH2 3.31Å; D781-V784 HydrophobicContact CB-CB 4.43Å; D781-V784 HydrophobicContact CB-CG2 4.12Å; D781-V784 PolarHBondContact O-N 3.35Å; D781-V788 HydrophobicContact CB-CG2 3.62Å |
| 782 | L | 86.9 | Confident | 91.8 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -7.3 | -178.4 | -71.3 | 170.6 | 0 | 0 | 0 | 114.1 | M716 T738 L750 W766 I768 V784 | M716-L782 HydrophobicContact CE-CD1 3.37Å; M716-L782 HydrophobicContact SD-CD1 3.69Å; T738-L782 HydrophobicContact CG2-CD1 4.05Å; T738-L782 HydrophobicContact CG2-CD2 3.5Å; T738-L782 HydrophobicContact CG2-CG 4.43Å; L750-L782 HydrophobicContact CD1-CD2 3.83Å; L750-L782 HydrophobicContact CD2-CD2 4.25Å; L750-L782 HydrophobicContact CG-CD2 4.39Å; W766-L782 HydrophobicContact CB-CB 4.34Å; W766-L782 HydrophobicContact CD2-CB 4.49Å; W766-L782 HydrophobicContact CE3-CB 3.71Å; W766-L782 HydrophobicContact CE3-CD1 3.97Å; W766-L782 HydrophobicContact CZ3-CB 4.34Å; W766-L782 HydrophobicContact CZ3-CD1 4.41Å; W766-L782 PolarHBondContact O-N 3.45Å; I768-L782 HydrophobicContact CD1-CD1 3.92Å; I768-L782 HydrophobicContact CD1-CD2 3.92Å; I768-L782 HydrophobicContact CD1-CG 3.82Å; L782-V784 VanDerWaalsContact C-N 3.29Å |
| 783 | R | 84 | Confident | 91.3 | Very high | 128 Ų | 128 | 48.2 Ų | 48.2 | 48% | 0.483 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -5.7 | 170.5 | -56.3 | 171.8 | -68.7 | 179.5 | 4.7 | 113 | W766 D781 | W766-R783 HydrophobicContact CB-CG 4.06Å; W766-R783 VanDerWaalsContact CD1-CD 3.44Å; W766-R783 HydrophobicContact CD2-CG 4.22Å; W766-R783 HydrophobicContact CG-CG 3.76Å; D781-R783 PolarHBondContact O-N 2.84Å; D781-R783 VanDerWaalsContact OD1-CB 3.29Å; D781-R783 WeakPolarHBondContact OD1-CB 3.4Å; D781-R783 WeakPolarHBondContact OD1-CG 3.35Å; D781-R783 IonicContact OD1-CZ 3.6Å; D781-R783 PolarHBondContact OD1-N 2.99Å; D781-R783 IonicContact OD1-NE 2.78Å; D781-R783 PolarHBondContact OD1-NE 3.22Å; D781-R783 IonicContact OD1-NH2 3.44Å; D781-R783 IonicContact OD2-CZ 2.92Å; D781-R783 IonicContact OD2-NE 3.39Å; D781-R783 PolarHBondContact OD2-NE 2.93Å; D781-R783 IonicContact OD2-NH2 3.52Å; D781-R783 PolarHBondContact OD2-NH2 3.31Å |
| 784 | V | 83.8 | Confident | 90.3 | Very high | 56 Ų | 56 | 46.9 Ų | 46.9 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -126.7 | 133.6 | -175.7 | -174 | 0 | 0 | 0 | 0 | 108.4 | D781 L782 S786 | D781-V784 HydrophobicContact CB-CB 4.43Å; D781-V784 HydrophobicContact CB-CG2 4.12Å; D781-V784 PolarHBondContact O-N 3.35Å; L782-V784 VanDerWaalsContact C-N 3.29Å; V784-S786 PolarHBondContact O-N 2.93Å |
| 785 | P | 72.1 | Confident | 88.5 | Confident | 127 Ų | 127 | 51.1 Ų | 51.1 | 83% | 0.825 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -72.5 | 3.3 | -175.8 | 30.1 | -37.1 | 0 | 0 | 0 | 114.5 | ||
| 786 | S | 81.4 | Confident | 86.3 | Confident | 66 Ų | 66 | 56 Ų | 56 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -140.1 | 160.7 | -172 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | V784 V788 | V784-S786 PolarHBondContact O-N 2.93Å; S786-V788 PolarHBondContact O-N 2.91Å |
| 787 | C | 92.3 | Very high | 84.6 | Confident | 31 Ų | 31 | 57.6 Ų | 57.6 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 123.2 | 174 | 172 | 0 | 0 | 0 | 0 | 111.1 | W780 R789 | W780-C787 HydrophobicContact CD2-CB 4.3Å; W780-C787 HydrophobicContact CE3-CB 3.81Å; W780-C787 HydrophobicContact CH2-CB 3.99Å; W780-C787 HydrophobicContact CZ2-CB 4.43Å; W780-C787 HydrophobicContact CZ3-CB 3.65Å; C787-R789 PolarHBondContact SG-O 2.83Å; C787-R789 VanDerWaalsContact SG-O 3.39Å |
| 788 | V | 93.1 | Very high | 83.2 | Confident | 81 Ų | 81 | 62.9 Ų | 62.9 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -36.1 | -177.1 | 178 | 0 | 0 | 0 | 0 | 112.2 | F779 D781 S786 | F779-V788 PolarHBondContact O-N 3.37Å; D781-V788 HydrophobicContact CB-CG2 3.62Å; S786-V788 PolarHBondContact O-N 2.91Å |
| 789 | R | 92.6 | Very high | 82.5 | Confident | 95 Ų | 95 | 61.7 Ų | 61.7 | 36% | 0.358 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 136.8 | 177.9 | -178.2 | -175.2 | -61.1 | 176.2 | 6.7 | 111.6 | R778 F779 C787 V791 Y826 I828 | R778-R789 WeakPolarHBondContact CA-O 3.27Å; F779-R789 HydrophobicContact CB-CB 4.26Å; F779-R789 HydrophobicContact CD2-CB 3.96Å; F779-R789 HydrophobicContact CD2-CG 4.19Å; F779-R789 PolarHBondContact N-O 3.32Å; F779-R789 PolarHBondContact O-N 3.4Å; C787-R789 PolarHBondContact SG-O 2.83Å; C787-R789 VanDerWaalsContact SG-O 3.39Å; R789-V791 HydrophobicContact CG-CG2 4.26Å; R789-Y826 PolarHBondContact NH1-OH 3.03Å; R789-I828 PolarHBondContact NH1-O 3.45Å |
| 790 | V | 95 | Very high | 82.4 | Confident | 76 Ų | 76 | 62 Ų | 62 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.6 | 170.7 | -170.9 | 0 | 0 | 0 | 0 | 108.9 | T776 R778 | T776-V790 HydrophobicContact CG2-CG1 3.77Å; R778-V790 HydrophobicContact CG-CG1 4.19Å; R778-V790 HydrophobicContact CG-CG2 4.17Å |
| 791 | V | 94.4 | Very high | 82.5 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 7% | 0.067 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 117.7 | 174.4 | -178.7 | 0 | 0 | 0 | 0 | 108.1 | T776 V777 F779 R789 M824 Y826 | T776-V791 CarbonylContact C-O 3.57Å; T776-V791 WeakPolarHBondContact CA-O 2.98Å; V777-V791 HydrophobicContact CB-CB 4.45Å; V777-V791 PolarHBondContact N-O 2.85Å; V777-V791 PolarHBondContact O-N 3.48Å; F779-V791 HydrophobicContact CD2-CG2 4.32Å; F779-V791 HydrophobicContact CE2-CG2 3.84Å; R789-V791 HydrophobicContact CG-CG2 4.26Å; V791-M824 HydrophobicContact CG1-CE 4.05Å; V791-Y826 HydrophobicContact CG1-CD2 3.96Å; V791-Y826 HydrophobicContact CG1-CE2 3.85Å; V791-Y826 HydrophobicContact CG2-CE1 3.96Å; V791-Y826 HydrophobicContact CG2-CE2 4.06Å |
| 792 | G | 90.4 | Very high | 82.8 | Confident | 41 Ų | 41 | 62 Ų | 62 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 152.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A794 | G792-A794 VanDerWaalsContact C-N 3.33Å |
| 793 | T | 86.3 | Confident | 83.3 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 6% | 0.055 | 37% | 0.368 | C | S | . | . | trans | -86.5 | 2 | 174.4 | 53.9 | 0 | 0 | 0 | 0 | 114.7 | K775 F795 G799 S800 V802 Q818 | K775-T793 PolarHBondContact O-N 3.31Å; K775-T793 VanDerWaalsContact O-N 3.17Å; K775-T793 PolarHBondContact O-OG1 3.4Å; K775-T793 VanDerWaalsContact O-OG1 3.09Å; T793-F795 PolarHBondContact O-N 2.94Å; T793-F795 VanDerWaalsContact O-N 3.12Å; T793-G799 WeakPolarHBondContact OG1-CA 3.27Å; T793-S800 PolarHBondContact OG1-N 3.33Å; T793-S800 PolarHBondContact OG1-O 2.75Å; T793-V802 HydrophobicContact CG2-CG2 3.35Å; T793-Q818 VanDerWaalsContact CB-OE1 3.23Å; T793-Q818 HydrophobicContact CG2-CG 4.18Å | ||
| 794 | A | 76.7 | Confident | 84 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 51% | 0.512 | 35% | 0.346 | S | S | . | . | trans | -69.6 | 106.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | G792 G797 | G792-A794 VanDerWaalsContact C-N 3.33Å; A794-G797 WeakPolarHBondContact CB-O 3.29Å | ||
| 795 | F | 58.6 | Low | 84.7 | Confident | 114 Ų | 114 | 52.9 Ų | 52.9 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -124.1 | 104.2 | 169.7 | -161 | -105.6 | 0 | 0 | 0 | 108.2 | T793 G797 I833 V836 | T793-F795 PolarHBondContact O-N 2.94Å; T793-F795 VanDerWaalsContact O-N 3.12Å; F795-G797 PolarHBondContact O-N 2.97Å; F795-I833 HydrophobicContact CD2-CD1 4.08Å; F795-V836 HydrophobicContact CB-CG2 4.26Å; F795-V836 HydrophobicContact CD1-CB 4.46Å; F795-V836 HydrophobicContact CD1-CG2 4.28Å; F795-V836 HydrophobicContact CD2-CG2 4.49Å; F795-V836 HydrophobicContact CG-CG2 4.1Å |
| 796 | H | 49.4 | Very low | 85.9 | Confident | 181 Ų | 181 | 46.9 Ų | 46.9 | 84% | 0.838 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 60.7 | 28 | -174.6 | -53.2 | -72.6 | 0 | 0 | 0 | 117.2 | ||
| 797 | G | 61.6 | Low | 86.6 | Confident | 54 Ų | 54 | 43.7 Ų | 43.7 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 177.2 | -163.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | A794 F795 G799 | A794-G797 WeakPolarHBondContact CB-O 3.29Å; F795-G797 PolarHBondContact O-N 2.97Å; G797-G799 PolarHBondContact O-N 3.18Å |
| 798 | S | 66.6 | Low | 86.7 | Confident | 112 Ų | 112 | 42.8 Ų | 42.8 | 78% | 0.783 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -69.1 | 121.5 | 167.3 | -163.1 | 0 | 0 | 0 | 0 | 108.8 | K775 | K775-S798 PolarHBondContact NZ-OG 3.21Š|
| 799 | G | 83.6 | Confident | 86.5 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | trans | -61.3 | 169.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K775 T793 G797 | K775-G799 WeakPolarHBondContact CD-O 3.27Å; K775-G799 VanDerWaalsContact CE-O 3.22Å; K775-G799 WeakPolarHBondContact CE-O 3.13Å; K775-G799 PolarHBondContact NZ-O 3.43Å; T793-G799 WeakPolarHBondContact OG1-CA 3.27Å; G797-G799 PolarHBondContact O-N 3.18Å | ||
| 800 | S | 94.4 | Very high | 86.3 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 10% | 0.098 | 27% | 0.268 | C | S | . | . | trans | -109.6 | 149.2 | -180 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | T793 E819 D820 | T793-S800 PolarHBondContact OG1-N 3.33Å; T793-S800 PolarHBondContact OG1-O 2.75Å; S800-E819 PolarHBondContact OG-N 2.81Å; S800-D820 WeakPolarHBondContact CB-OD1 3.48Å; S800-D820 WeakPolarHBondContact OG-CB 3.4Å; S800-D820 PolarHBondContact OG-N 3.34Å; S800-D820 PolarHBondContact OG-OD1 3.48Å | ||
| 801 | P | 96.9 | Very high | 86.1 | Confident | 21 Ų | 21 | 38.4 Ų | 38.4 | 14% | 0.136 | 25% | 0.253 | C | S | . | . | trans | -45.6 | 135.3 | 168.4 | -35.8 | 41.6 | 0 | 0 | 0 | 113.6 | Q773 A803 Q818 E819 | Q773-P801 HydrophobicContact CG-CB 4.37Å; Q773-P801 HydrophobicContact CG-CG 4.27Å; P801-A803 PolarHBondContact O-N 3.46Å; P801-Q818 VanDerWaalsContact O-CA 3.31Å; P801-Q818 WeakPolarHBondContact O-CA 3.41Å; P801-E819 HydrophobicContact CB-CB 4.21Å; P801-E819 HydrophobicContact CB-CG 3.92Å; P801-E819 VanDerWaalsContact CB-OE2 3.29Å; P801-E819 WeakPolarHBondContact CB-OE2 3.23Å; P801-E819 WeakPolarHBondContact CG-OE2 3.39Å; P801-E819 PolarHBondContact O-N 2.83Å; P801-E819 VanDerWaalsContact O-N 3.16Å | ||
| 802 | V | 98.1 | Very high | 86 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 103.9 | 177 | -175 | 0 | 0 | 0 | 0 | 109.5 | G771 S772 V777 T793 V805 | G771-V802 CarbonylContact C-O 3.5Å; S772-V802 PolarHBondContact O-N 3.5Å; V777-V802 HydrophobicContact CG2-CB 4.34Å; V777-V802 HydrophobicContact CG2-CG1 3.88Å; V777-V802 HydrophobicContact CG2-CG2 3.83Å; T793-V802 HydrophobicContact CG2-CG2 3.35Å; V802-V805 HydrophobicContact CG1-CG1 3.67Å |
| 803 | A | 97.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -36.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | P801 G817 E819 V844 R845 | P801-A803 PolarHBondContact O-N 3.46Å; A803-G817 WeakPolarHBondContact CA-O 3.35Å; A803-G817 WeakPolarHBondContact CB-O 3.28Å; A803-G817 PolarHBondContact N-O 2.85Å; A803-E819 HydrophobicContact CB-CG 4.11Å; A803-V844 VanDerWaalsContact CB-O 3.31Å; A803-V844 WeakPolarHBondContact CB-O 3.32Å; A803-R845 VanDerWaalsContact CA-NH2 3.33Å; A803-R845 PolarHBondContact O-NH1 3.04Å; A803-R845 PolarHBondContact O-NH2 2.7Å; A803-R845 VanDerWaalsContact O-NH2 3.1Å |
| 804 | S | 98.2 | Very high | 86.8 | Confident | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 146.3 | -178.2 | -165.8 | 0 | 0 | 0 | 0 | 111.9 | T816 G817 V847 | S804-T816 CarbonylContact O-C 3.59Å; S804-T816 WeakPolarHBondContact O-CA 3.34Å; S804-G817 PolarHBondContact N-O 2.63Å; S804-G817 VanDerWaalsContact N-O 3.1Å; S804-G817 PolarHBondContact O-N 3.2Å; S804-V847 PolarHBondContact OG-N 3.37Å; S804-V847 VanDerWaalsContact OG-N 3.13Å |
| 805 | V | 98.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.7 | 173 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | S759 V777 V802 L814 T816 | S759-V805 PolarHBondContact OG-N 3.15Å; V777-V805 HydrophobicContact CG1-CG1 4.27Å; V777-V805 HydrophobicContact CG2-CG1 3.79Å; V802-V805 HydrophobicContact CG1-CG1 3.67Å; V805-L814 HydrophobicContact CB-CD1 4.33Å; V805-T816 HydrophobicContact CG1-CG2 4.32Å |
| 806 | A | 97.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 144.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y761 A815 V847 F849 | Y761-A806 HydrophobicContact CD2-CB 4.04Å; Y761-A806 HydrophobicContact CE2-CB 3.92Å; A806-A815 PolarHBondContact N-O 2.93Å; A806-A815 PolarHBondContact O-N 2.9Å; A806-V847 WeakPolarHBondContact CB-O 3.33Å; A806-F849 HydrophobicContact CB-CD2 4.02Å; A806-F849 HydrophobicContact CB-CE2 4.36Å; A806-F849 WeakPolarHBondContact O-CE2 3.47Å |
| 807 | V | 96.8 | Very high | 92 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 144.6 | 170.2 | 178 | 0 | 0 | 0 | 0 | 108.3 | Y761 W763 A769 L813 L814 I828 F849 | Y761-V807 HydrophobicContact CD1-CB 3.82Å; Y761-V807 HydrophobicContact CD1-CG2 4.2Å; Y761-V807 VanDerWaalsContact CD1-N 3.26Å; Y761-V807 HydrophobicContact CE1-CB 3.9Å; Y761-V807 VanDerWaalsContact CE1-N 3.28Å; Y761-V807 WeakPolarHBondContact CE1-O 3.49Å; Y761-V807 PolarHBondContact OH-O 2.71Å; W763-V807 HydrophobicContact CB-CB 3.98Å; W763-V807 HydrophobicContact CB-CG1 3.96Å; W763-V807 HydrophobicContact CD2-CB 3.86Å; W763-V807 HydrophobicContact CD2-CG1 3.68Å; W763-V807 HydrophobicContact CD2-CG2 3.98Å; W763-V807 HydrophobicContact CE3-CB 3.92Å; W763-V807 HydrophobicContact CE3-CG1 4.22Å; W763-V807 HydrophobicContact CE3-CG2 3.64Å; W763-V807 HydrophobicContact CG-CB 3.91Å; W763-V807 HydrophobicContact CG-CG1 3.54Å; W763-V807 HydrophobicContact CZ3-CG2 3.99Å; A769-V807 HydrophobicContact CB-CG2 4.32Å; V807-L813 WeakPolarHBondContact CA-O 3.19Å; V807-L814 HydrophobicContact CG2-CB 4.47Å; V807-L814 HydrophobicContact CG2-CD1 3.81Å; V807-I828 HydrophobicContact CB-CD1 4.38Å; V807-I828 HydrophobicContact CG1-CD1 3.51Å; V807-I828 HydrophobicContact CG2-CD1 3.96Å; V807-F849 VanDerWaalsContact C-CD2 3.49Å |
| 808 | D | 93.5 | Very high | 93.7 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 6% | 0.064 | 14% | 0.143 | C | C | . | . | trans | -69.7 | 157.2 | 178.7 | 89.9 | -72.2 | 0 | 0 | 0 | 111.6 | S810 G811 R812 L813 F849 A853 | D808-S810 PolarHBondContact O-N 2.98Å; D808-S810 PolarHBondContact OD1-OG 3.22Å; D808-S810 WeakPolarHBondContact OD2-CA 3.38Å; D808-S810 WeakPolarHBondContact OD2-CB 3.31Å; D808-S810 PolarHBondContact OD2-N 3.25Å; D808-S810 PolarHBondContact OD2-OG 3.33Å; D808-G811 PolarHBondContact O-N 3.3Å; D808-G811 PolarHBondContact OD1-N 2.86Å; D808-R812 PolarHBondContact OD1-N 2.99Å; D808-L813 HydrophobicContact CB-CB 4.35Å; D808-L813 PolarHBondContact N-O 2.85Å; D808-L813 PolarHBondContact OD1-N 3.13Å; D808-F849 HydrophobicContact CB-CD1 4.1Å; D808-F849 HydrophobicContact CB-CD2 3.99Å; D808-F849 HydrophobicContact CB-CE1 4.07Å; D808-F849 HydrophobicContact CB-CE2 3.97Å; D808-F849 HydrophobicContact CB-CG 4.05Å; D808-F849 HydrophobicContact CB-CZ 4.01Å; D808-F849 VanDerWaalsContact N-CE2 3.33Å; D808-A853 HydrophobicContact CB-CB 4.31Å | ||
| 809 | P | 88.9 | Confident | 95.1 | Very high | 80 Ų | 80 | 21.1 Ų | 21.1 | 52% | 0.519 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -20.7 | 178.6 | -28 | 36 | 0 | 0 | 0 | 116.2 | ||
| 810 | S | 89.5 | Confident | 95.6 | Very high | 67 Ų | 67 | 23.1 Ų | 23.1 | 47% | 0.469 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -4.9 | 175.3 | 78.7 | 0 | 0 | 0 | 0 | 114.5 | D808 R812 | D808-S810 PolarHBondContact O-N 2.98Å; D808-S810 PolarHBondContact OD1-OG 3.22Å; D808-S810 WeakPolarHBondContact OD2-CA 3.38Å; D808-S810 WeakPolarHBondContact OD2-CB 3.31Å; D808-S810 PolarHBondContact OD2-N 3.25Å; D808-S810 PolarHBondContact OD2-OG 3.33Å; S810-R812 VanDerWaalsContact C-N 3.28Å; S810-R812 PolarHBondContact O-N 3.16Å; S810-R812 WeakPolarHBondContact OG-CB 3.28Å |
| 811 | G | 90.9 | Very high | 95.7 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 13% | 0.134 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 65.6 | 28 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D808 | D808-G811 PolarHBondContact O-N 3.3Å; D808-G811 PolarHBondContact OD1-N 2.86Å |
| 812 | R | 91.9 | Very high | 95.6 | Very high | 137 Ų | 137 | 22.2 Ų | 22.2 | 52% | 0.517 | 12% | 0.121 | S | C | . | . | trans | -107 | -38.2 | -176.5 | -176.6 | -179.2 | 176.4 | -173 | -2.4 | 112.6 | D808 S810 D827 I828 | D808-R812 PolarHBondContact OD1-N 2.99Å; S810-R812 VanDerWaalsContact C-N 3.28Å; S810-R812 PolarHBondContact O-N 3.16Å; S810-R812 WeakPolarHBondContact OG-CB 3.28Å; R812-D827 IonicContact NE-OD2 3.79Å; R812-D827 IonicContact NH2-OD2 3.9Å; R812-I828 WeakPolarHBondContact O-CB 3.41Å; R812-I828 PolarHBondContact O-N 3.36Å | ||
| 813 | L | 95.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 22.3 Ų | 22.3 | 11% | 0.105 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.7 | -171.6 | -163.6 | 71.6 | 0 | 0 | 0 | 110.3 | V807 D808 L825 Y826 V834 F849 L874 | V807-L813 WeakPolarHBondContact CA-O 3.19Å; D808-L813 HydrophobicContact CB-CB 4.35Å; D808-L813 PolarHBondContact N-O 2.85Å; D808-L813 PolarHBondContact OD1-N 3.13Å; L813-L825 HydrophobicContact CD1-CB 4.33Å; L813-L825 HydrophobicContact CD2-CD2 4.21Å; L813-Y826 WeakPolarHBondContact CA-O 3.44Å; L813-V834 HydrophobicContact CD1-CG2 4.05Å; L813-F849 HydrophobicContact CB-CZ 4.27Å; L813-F849 HydrophobicContact CD2-CE1 4.02Å; L813-F849 HydrophobicContact CD2-CZ 4.02Å; L813-F849 HydrophobicContact CG-CZ 4.18Å; L813-F849 WeakPolarHBondContact O-CE2 3.48Å; L813-L874 HydrophobicContact CD2-CD1 4.08Å |
| 814 | L | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.9 | 165.5 | 171.5 | 77.5 | 0 | 0 | 0 | 108.2 | V777 F779 V805 V807 T816 L825 Y826 I828 | V777-L814 HydrophobicContact CB-CD2 4.34Å; V777-L814 HydrophobicContact CG1-CD1 4.47Å; V777-L814 HydrophobicContact CG1-CD2 3.89Å; V777-L814 HydrophobicContact CG2-CD2 4.33Å; F779-L814 HydrophobicContact CE2-CD2 4.48Å; F779-L814 HydrophobicContact CZ-CB 4.34Å; F779-L814 HydrophobicContact CZ-CD2 3.85Å; F779-L814 HydrophobicContact CZ-CG 4.46Å; V805-L814 HydrophobicContact CB-CD1 4.33Å; V807-L814 HydrophobicContact CG2-CB 4.47Å; V807-L814 HydrophobicContact CG2-CD1 3.81Å; L814-T816 HydrophobicContact CD1-CG2 4.36Å; L814-T816 HydrophobicContact CD2-CG2 3.76Å; L814-T816 HydrophobicContact CG-CG2 3.89Å; L814-L825 CarbonylContact O-C 3.58Å; L814-L825 WeakPolarHBondContact O-CA 3.28Å; L814-Y826 HydrophobicContact CB-CD1 4.27Å; L814-Y826 HydrophobicContact CD2-CD1 4.25Å; L814-Y826 PolarHBondContact N-O 2.9Å; L814-Y826 PolarHBondContact O-N 2.93Å; L814-I828 HydrophobicContact CB-CD1 4.07Å; L814-I828 HydrophobicContact CB-CG1 3.98Å |
| 815 | A | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 137.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A806 M824 L825 V847 F849 L856 | A806-A815 PolarHBondContact N-O 2.93Å; A806-A815 PolarHBondContact O-N 2.9Å; A815-M824 CarbonylContact C-O 3.58Å; A815-M824 WeakPolarHBondContact CA-O 3.5Å; A815-L825 HydrophobicContact CB-CD2 3.74Å; A815-V847 HydrophobicContact CB-CG1 3.65Å; A815-F849 HydrophobicContact CB-CE1 4.46Å; A815-F849 HydrophobicContact CB-CE2 3.64Å; A815-F849 HydrophobicContact CB-CZ 3.57Å; A815-L856 HydrophobicContact CB-CD1 3.66Å; A815-L856 HydrophobicContact CB-CD2 4.07Å |
| 816 | T | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 151.3 | 175.7 | 82.4 | 0 | 0 | 0 | 0 | 111.1 | V777 S804 V805 L814 C823 M824 | V777-T816 HydrophobicContact CG2-CG2 3.71Å; S804-T816 CarbonylContact O-C 3.59Å; S804-T816 WeakPolarHBondContact O-CA 3.34Å; V805-T816 HydrophobicContact CG1-CG2 4.32Å; L814-T816 HydrophobicContact CD1-CG2 4.36Å; L814-T816 HydrophobicContact CD2-CG2 3.76Å; L814-T816 HydrophobicContact CG-CG2 3.89Å; T816-C823 WeakPolarHBondContact O-CA 3.28Å; T816-M824 HydrophobicContact CG2-CE 3.75Å; T816-M824 PolarHBondContact N-O 3.07Å; T816-M824 PolarHBondContact O-N 3.23Å; T816-M824 WeakPolarHBondContact OG1-CB 3.48Å |
| 817 | G | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 138 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | A803 S804 V844 | A803-G817 WeakPolarHBondContact CA-O 3.35Å; A803-G817 WeakPolarHBondContact CB-O 3.28Å; A803-G817 PolarHBondContact N-O 2.85Å; S804-G817 PolarHBondContact N-O 2.63Å; S804-G817 VanDerWaalsContact N-O 3.1Å; S804-G817 PolarHBondContact O-N 3.2Å; G817-V844 CarbonylContact C-O 3.57Å |
| 818 | Q | 97.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 160.9 | -171 | -59.8 | 179.9 | 52.2 | 0 | 0 | 112 | T793 P801 D820 S821 A822 V844 | T793-Q818 VanDerWaalsContact CB-OE1 3.23Å; T793-Q818 HydrophobicContact CG2-CG 4.18Å; P801-Q818 VanDerWaalsContact O-CA 3.31Å; P801-Q818 WeakPolarHBondContact O-CA 3.41Å; Q818-D820 VanDerWaalsContact C-N 3.28Å; Q818-D820 WeakPolarHBondContact CB-OD1 3.4Å; Q818-D820 PolarHBondContact O-N 3.04Å; Q818-S821 PolarHBondContact O-N 3.44Å; Q818-A822 HydrophobicContact CB-CB 4.36Å; Q818-A822 WeakPolarHBondContact CB-O 3.37Å; Q818-A822 PolarHBondContact N-O 3.26Å; Q818-V844 PolarHBondContact O-N 3.32Å |
| 819 | E | 96.4 | Very high | 94.7 | Very high | 59 Ų | 59 | 32.9 Ų | 32.9 | 28% | 0.276 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -14.6 | 179.6 | -65.6 | -176.9 | 170.9 | 0 | 0 | 113.1 | S800 P801 A803 S821 D843 | S800-E819 PolarHBondContact OG-N 2.81Å; P801-E819 HydrophobicContact CB-CB 4.21Å; P801-E819 HydrophobicContact CB-CG 3.92Å; P801-E819 VanDerWaalsContact CB-OE2 3.29Å; P801-E819 WeakPolarHBondContact CB-OE2 3.23Å; P801-E819 WeakPolarHBondContact CG-OE2 3.39Å; P801-E819 PolarHBondContact O-N 2.83Å; P801-E819 VanDerWaalsContact O-N 3.16Å; A803-E819 HydrophobicContact CB-CG 4.11Å; E819-S821 PolarHBondContact O-N 3.33Å; E819-D843 HydrophobicContact CB-CB 4.48Å; E819-D843 HydrophobicContact CG-CB 4.4Å |
| 820 | D | 94.3 | Very high | 94.7 | Very high | 54 Ų | 54 | 31.1 Ų | 31.1 | 29% | 0.289 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 20.8 | 173.4 | 77.7 | -41.8 | 0 | 0 | 0 | 112.9 | S800 Q818 A822 R838 | S800-D820 WeakPolarHBondContact CB-OD1 3.48Å; S800-D820 WeakPolarHBondContact OG-CB 3.4Å; S800-D820 PolarHBondContact OG-N 3.34Å; S800-D820 PolarHBondContact OG-OD1 3.48Å; Q818-D820 VanDerWaalsContact C-N 3.28Å; Q818-D820 WeakPolarHBondContact CB-OD1 3.4Å; Q818-D820 PolarHBondContact O-N 3.04Å; D820-A822 PolarHBondContact O-N 3.3Å; D820-A822 VanDerWaalsContact OD1-CB 3.23Å; D820-A822 WeakPolarHBondContact OD1-CB 3.48Å; D820-A822 PolarHBondContact OD1-N 2.81Å; D820-R838 PolarHBondContact O-NE 3.46Å; D820-R838 IonicContact OD2-CZ 3.71Å; D820-R838 IonicContact OD2-NE 2.67Å; D820-R838 IonicContact OD2-NH2 2.89Å; D820-R838 PolarHBondContact OD2-NH2 2.94Å |
| 821 | S | 95.6 | Very high | 94.9 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 11% | 0.105 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 65.9 | 7.1 | -174.4 | -26.1 | 0 | 0 | 0 | 0 | 115.5 | Q818 E819 H840 T841 S842 | Q818-S821 PolarHBondContact O-N 3.44Å; E819-S821 PolarHBondContact O-N 3.33Å; S821-H840 WeakPolarHBondContact CB-O 3.3Å; S821-T841 VanDerWaalsContact OG-C 3.22Å; S821-S842 WeakPolarHBondContact CB-O 3.41Å; S821-S842 WeakPolarHBondContact OG-CA 3.33Å; S821-S842 PolarHBondContact OG-N 2.99Å; S821-S842 VanDerWaalsContact OG-N 3.08Å; S821-S842 PolarHBondContact OG-O 3.08Å |
| 822 | A | 95.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | trans | -82.2 | 146 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q818 D820 V836 Y837 R838 | Q818-A822 HydrophobicContact CB-CB 4.36Å; Q818-A822 WeakPolarHBondContact CB-O 3.37Å; Q818-A822 PolarHBondContact N-O 3.26Å; D820-A822 PolarHBondContact O-N 3.3Å; D820-A822 VanDerWaalsContact OD1-CB 3.23Å; D820-A822 WeakPolarHBondContact OD1-CB 3.48Å; D820-A822 PolarHBondContact OD1-N 2.81Å; A822-V836 HydrophobicContact CB-CG1 4.14Å; A822-Y837 CarbonylContact C-O 3.53Å; A822-Y837 WeakPolarHBondContact CA-O 3.37Å; A822-R838 HydrophobicContact CB-CG 4.2Å | ||
| 823 | C | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 134.3 | 161.8 | -77.5 | 0 | 0 | 0 | 0 | 109.9 | T816 V836 Y837 P839 | T816-C823 WeakPolarHBondContact O-CA 3.28Å; C823-V836 WeakPolarHBondContact O-CA 3.38Å; C823-Y837 HydrophobicContact CB-CD1 4.46Å; C823-Y837 HydrophobicContact CB-CD2 4.36Å; C823-Y837 HydrophobicContact CB-CE1 4.05Å; C823-Y837 HydrophobicContact CB-CE2 3.95Å; C823-Y837 PolarHBondContact N-O 3.23Å; C823-Y837 PolarHBondContact O-N 2.99Å; C823-P839 HydrophobicContact CB-CG 4.26Å |
| 824 | M | 95.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133 | 174.7 | 178.9 | -177.6 | 72.3 | 0 | 0 | 109.8 | V791 A815 T816 I833 Q835 V836 | V791-M824 HydrophobicContact CG1-CE 4.05Å; A815-M824 CarbonylContact C-O 3.58Å; A815-M824 WeakPolarHBondContact CA-O 3.5Å; T816-M824 HydrophobicContact CG2-CE 3.75Å; T816-M824 PolarHBondContact N-O 3.07Å; T816-M824 PolarHBondContact O-N 3.23Å; T816-M824 WeakPolarHBondContact OG1-CB 3.48Å; M824-I833 HydrophobicContact CG-CG1 4.43Å; M824-I833 HydrophobicContact CG-CG2 4.1Å; M824-I833 HydrophobicContact SD-CD1 3.84Å; M824-I833 HydrophobicContact SD-CG1 3.8Å; M824-Q835 WeakPolarHBondContact CA-O 3.43Å; M824-V836 HydrophobicContact CB-CG2 4.32Å; M824-V836 HydrophobicContact CG-CG2 4.11Å |
| 825 | L | 96.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 131.3 | 165.4 | -62.9 | -179.1 | 0 | 0 | 0 | 109.1 | L813 L814 A815 V834 Q835 Y837 L856 L870 L878 | L813-L825 HydrophobicContact CD1-CB 4.33Å; L813-L825 HydrophobicContact CD2-CD2 4.21Å; L814-L825 CarbonylContact O-C 3.58Å; L814-L825 WeakPolarHBondContact O-CA 3.28Å; A815-L825 HydrophobicContact CB-CD2 3.74Å; L825-V834 HydrophobicContact CB-CB 4.23Å; L825-V834 PolarHBondContact O-N 3.45Å; L825-Q835 PolarHBondContact N-O 3.23Å; L825-Q835 PolarHBondContact O-N 3.1Å; L825-Y837 HydrophobicContact CD1-CE1 4.22Å; L825-Y837 HydrophobicContact CG-CE1 4.13Å; L825-L856 HydrophobicContact CD2-CD2 4.42Å; L825-L870 HydrophobicContact CD1-CD2 4.07Å; L825-L878 HydrophobicContact CD1-CD1 3.78Å |
| 826 | Y | 95.9 | Very high | 94.5 | Very high | 14 Ų | 14 | 37.1 Ų | 37.1 | 6% | 0.055 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 125.3 | -173.8 | 174.7 | -89.6 | 0 | 0 | 0 | 111.1 | F779 R789 V791 L813 L814 I828 G831 R832 I833 | F779-Y826 HydrophobicContact CE2-CE1 4.11Å; F779-Y826 HydrophobicContact CZ-CE1 4.44Å; R789-Y826 PolarHBondContact NH1-OH 3.03Å; V791-Y826 HydrophobicContact CG1-CD2 3.96Å; V791-Y826 HydrophobicContact CG1-CE2 3.85Å; V791-Y826 HydrophobicContact CG2-CE1 3.96Å; V791-Y826 HydrophobicContact CG2-CE2 4.06Å; L813-Y826 WeakPolarHBondContact CA-O 3.44Å; L814-Y826 HydrophobicContact CB-CD1 4.27Å; L814-Y826 HydrophobicContact CD2-CD1 4.25Å; L814-Y826 PolarHBondContact N-O 2.9Å; L814-Y826 PolarHBondContact O-N 2.93Å; Y826-I828 HydrophobicContact CD1-CG1 4.29Å; Y826-I828 PolarHBondContact O-N 2.98Å; Y826-G831 WeakPolarHBondContact CE2-O 3.44Å; Y826-G831 VanDerWaalsContact CZ-C 3.46Å; Y826-G831 VanDerWaalsContact OH-CA 3.31Å; Y826-G831 WeakPolarHBondContact OH-CA 3.38Å; Y826-G831 PolarHBondContact OH-O 3.16Å; Y826-G831 VanDerWaalsContact OH-O 3.05Å; Y826-R832 WeakPolarHBondContact CA-O 3.48Å; Y826-R832 WeakPolarHBondContact CD2-O 3.32Å; Y826-I833 HydrophobicContact CD2-CG1 4.09Å |
| 827 | D | 94.3 | Very high | 94.3 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 107.5 | 176.4 | -171.8 | -27.4 | 0 | 0 | 0 | 108.8 | R812 R829 G830 G831 R832 V834 | R812-D827 IonicContact NE-OD2 3.79Å; R812-D827 IonicContact NH2-OD2 3.9Å; D827-R829 VanDerWaalsContact C-N 3.28Å; D827-R829 PolarHBondContact O-N 2.9Å; D827-R829 PolarHBondContact OD1-N 3.22Å; D827-G830 PolarHBondContact OD1-N 3.03Å; D827-G831 WeakPolarHBondContact O-CA 3.47Å; D827-G831 PolarHBondContact O-N 2.99Å; D827-R832 HydrophobicContact CB-CG 4.25Å; D827-R832 PolarHBondContact N-O 3.1Å; D827-R832 PolarHBondContact O-N 2.99Å; D827-V834 HydrophobicContact CB-CG2 3.83Å |
| 828 | I | 93.6 | Very high | 94.2 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -37 | -177.5 | -57.4 | 175.7 | 0 | 0 | 0 | 110.6 | F779 R789 V807 R812 L814 Y826 | F779-I828 HydrophobicContact CE1-CD1 4.26Å; F779-I828 HydrophobicContact CZ-CD1 4.29Å; F779-I828 HydrophobicContact CZ-CG1 4.06Å; F779-I828 HydrophobicContact CZ-CG2 4.45Å; R789-I828 PolarHBondContact NH1-O 3.45Å; V807-I828 HydrophobicContact CB-CD1 4.38Å; V807-I828 HydrophobicContact CG1-CD1 3.51Å; V807-I828 HydrophobicContact CG2-CD1 3.96Å; R812-I828 WeakPolarHBondContact O-CB 3.41Å; R812-I828 PolarHBondContact O-N 3.36Å; L814-I828 HydrophobicContact CB-CD1 4.07Å; L814-I828 HydrophobicContact CB-CG1 3.98Å; Y826-I828 HydrophobicContact CD1-CG1 4.29Å; Y826-I828 PolarHBondContact O-N 2.98Å |
| 829 | R | 89.9 | Confident | 94.1 | Very high | 188 Ų | 188 | 45.9 Ų | 45.9 | 71% | 0.709 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -45.1 | -179.8 | -60.6 | -172.5 | -172.4 | -172.3 | 4.1 | 111.2 | D827 G831 | D827-R829 VanDerWaalsContact C-N 3.28Å; D827-R829 PolarHBondContact O-N 2.9Å; D827-R829 PolarHBondContact OD1-N 3.22Å; R829-G831 VanDerWaalsContact C-N 3.25Å; R829-G831 PolarHBondContact O-N 2.93Å |
| 830 | G | 89 | Confident | 94.1 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 44% | 0.443 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -10.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D827 R832 | D827-G830 PolarHBondContact OD1-N 3.03Å; G830-R832 VanDerWaalsContact C-N 3.25Å; G830-R832 PolarHBondContact O-N 2.88Å |
| 831 | G | 92.1 | Very high | 94.3 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 38% | 0.381 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 13.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y826 D827 R829 | Y826-G831 WeakPolarHBondContact CE2-O 3.44Å; Y826-G831 VanDerWaalsContact CZ-C 3.46Å; Y826-G831 VanDerWaalsContact OH-CA 3.31Å; Y826-G831 WeakPolarHBondContact OH-CA 3.38Å; Y826-G831 PolarHBondContact OH-O 3.16Å; Y826-G831 VanDerWaalsContact OH-O 3.05Å; D827-G831 WeakPolarHBondContact O-CA 3.47Å; D827-G831 PolarHBondContact O-N 2.99Å; R829-G831 VanDerWaalsContact C-N 3.25Å; R829-G831 PolarHBondContact O-N 2.93Å |
| 832 | R | 91.6 | Very high | 94.4 | Very high | 162 Ų | 162 | 47.7 Ų | 47.7 | 61% | 0.611 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150.2 | -163.5 | 65.9 | -175.6 | 178 | -169 | -0.4 | 113.4 | Y826 D827 G830 V834 | Y826-R832 WeakPolarHBondContact CA-O 3.48Å; Y826-R832 WeakPolarHBondContact CD2-O 3.32Å; D827-R832 HydrophobicContact CB-CG 4.25Å; D827-R832 PolarHBondContact N-O 3.1Å; D827-R832 PolarHBondContact O-N 2.99Å; G830-R832 VanDerWaalsContact C-N 3.25Å; G830-R832 PolarHBondContact O-N 2.88Å; R832-V834 PolarHBondContact O-N 2.99Å |
| 833 | I | 93.3 | Very high | 94.5 | Very high | 55 Ų | 55 | 49.5 Ų | 49.5 | 28% | 0.282 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 130 | 167.4 | -60.3 | 175.7 | 0 | 0 | 0 | 108.2 | F795 M824 Y826 V836 | F795-I833 HydrophobicContact CD2-CD1 4.08Å; M824-I833 HydrophobicContact CG-CG1 4.43Å; M824-I833 HydrophobicContact CG-CG2 4.1Å; M824-I833 HydrophobicContact SD-CD1 3.84Å; M824-I833 HydrophobicContact SD-CG1 3.8Å; Y826-I833 HydrophobicContact CD2-CG1 4.09Å; I833-V836 HydrophobicContact CG2-CG2 3.84Å |
| 834 | V | 93.7 | Very high | 94.6 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 24% | 0.242 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -45.6 | 173.5 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | L813 L825 D827 R832 L874 | L813-V834 HydrophobicContact CD1-CG2 4.05Å; L825-V834 HydrophobicContact CB-CB 4.23Å; L825-V834 PolarHBondContact O-N 3.45Å; D827-V834 HydrophobicContact CB-CG2 3.83Å; R832-V834 PolarHBondContact O-N 2.99Å; V834-L874 HydrophobicContact CG1-CB 3.75Å |
| 835 | Q | 92.9 | Very high | 94.7 | Very high | 26 Ų | 26 | 50.9 Ų | 50.9 | 12% | 0.121 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 150.2 | -178.8 | -163.9 | 177.1 | 35 | 0 | 0 | 111.4 | M824 L825 Y837 L874 K876 L878 | M824-Q835 WeakPolarHBondContact CA-O 3.43Å; L825-Q835 PolarHBondContact N-O 3.23Å; L825-Q835 PolarHBondContact O-N 3.1Å; Q835-Y837 HydrophobicContact CG-CD1 4.26Å; Q835-L874 PolarHBondContact OE1-O 2.73Å; Q835-K876 PolarHBondContact NE2-O 3Å; Q835-L878 VanDerWaalsContact OE1-CG 3.24Å |
| 836 | V | 93.9 | Very high | 94.7 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 26% | 0.261 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.3 | 162.1 | -174 | 0 | 0 | 0 | 0 | 108 | F795 A822 C823 M824 I833 | F795-V836 HydrophobicContact CB-CG2 4.26Å; F795-V836 HydrophobicContact CD1-CB 4.46Å; F795-V836 HydrophobicContact CD1-CG2 4.28Å; F795-V836 HydrophobicContact CD2-CG2 4.49Å; F795-V836 HydrophobicContact CG-CG2 4.1Å; A822-V836 HydrophobicContact CB-CG1 4.14Å; C823-V836 WeakPolarHBondContact O-CA 3.38Å; M824-V836 HydrophobicContact CB-CG2 4.32Å; M824-V836 HydrophobicContact CG-CG2 4.11Å; I833-V836 HydrophobicContact CG2-CG2 3.84Å |
| 837 | Y | 94.7 | Very high | 94.9 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 9% | 0.09 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 162.6 | 178.1 | 62.5 | -84.9 | 0 | 0 | 0 | 110.5 | A822 C823 L825 Q835 P839 L856 T868 L878 | A822-Y837 CarbonylContact C-O 3.53Å; A822-Y837 WeakPolarHBondContact CA-O 3.37Å; C823-Y837 HydrophobicContact CB-CD1 4.46Å; C823-Y837 HydrophobicContact CB-CD2 4.36Å; C823-Y837 HydrophobicContact CB-CE1 4.05Å; C823-Y837 HydrophobicContact CB-CE2 3.95Å; C823-Y837 PolarHBondContact N-O 3.23Å; C823-Y837 PolarHBondContact O-N 2.99Å; L825-Y837 HydrophobicContact CD1-CE1 4.22Å; L825-Y837 HydrophobicContact CG-CE1 4.13Å; Q835-Y837 HydrophobicContact CG-CD1 4.26Å; Y837-P839 HydrophobicContact CD2-CB 4.14Å; Y837-P839 HydrophobicContact CD2-CG 3.99Å; Y837-P839 HydrophobicContact CE2-CB 3.95Å; Y837-P839 HydrophobicContact CE2-CG 3.72Å; Y837-P839 WeakPolarHBondContact O-CD 3.46Å; Y837-L856 VanDerWaalsContact OH-CD2 3.31Å; Y837-L856 WeakPolarHBondContact OH-CD2 3.28Å; Y837-T868 HydrophobicContact CE2-CG2 4.29Å; Y837-L878 HydrophobicContact CD1-CD1 4.27Å; Y837-L878 HydrophobicContact CE1-CD1 3.71Å |
| 838 | R | 95.4 | Very high | 95 | Very high | 156 Ų | 156 | 52 Ų | 52 | 59% | 0.589 | 26% | 0.26 | S | S | * | . | trans | -116.6 | 93.7 | 177 | -70.1 | -171.6 | 175 | 82 | 7.3 | 109.4 | D820 A822 H840 | D820-R838 PolarHBondContact O-NE 3.46Å; D820-R838 IonicContact OD2-CZ 3.71Å; D820-R838 IonicContact OD2-NE 2.67Å; D820-R838 IonicContact OD2-NH2 2.89Å; D820-R838 PolarHBondContact OD2-NH2 2.94Å; A822-R838 HydrophobicContact CB-CG 4.2Å; R838-H840 VanDerWaalsContact C-N 3.32Å | ||
| 839 | P | 94.8 | Very high | 95.2 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.065 | 26% | 0.258 | C | S | . | . | trans | -75.5 | -25.2 | 176.7 | 28.9 | -29.6 | 0 | 0 | 0 | 112 | C823 Y837 M866 | C823-P839 HydrophobicContact CB-CG 4.26Å; Y837-P839 HydrophobicContact CD2-CB 4.14Å; Y837-P839 HydrophobicContact CD2-CG 3.99Å; Y837-P839 HydrophobicContact CE2-CB 3.95Å; Y837-P839 HydrophobicContact CE2-CG 3.72Å; Y837-P839 WeakPolarHBondContact O-CD 3.46Å; P839-M866 HydrophobicContact CB-SD 4.46Å; P839-M866 WeakPolarHBondContact O-CE 3.19Å | ||
| 840 | H | 97.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.037 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -115.5 | 167 | -174.2 | -72.8 | -75 | 0 | 0 | 0 | 112.1 | S821 R838 V844 T858 S860 D862 K864 | S821-H840 WeakPolarHBondContact CB-O 3.3Å; R838-H840 VanDerWaalsContact C-N 3.32Å; H840-V844 HydrophobicContact CB-CG2 4.09Å; H840-T858 WeakPolarHBondContact NE2-CB 3.49Å; H840-T858 PolarHBondContact NE2-OG1 3.39Å; H840-S860 WeakPolarHBondContact ND1-CB 3.27Å; H840-D862 VanDerWaalsContact CA-OD2 3.24Å; H840-D862 WeakPolarHBondContact CA-OD2 3.42Å; H840-D862 WeakPolarHBondContact CB-OD2 3.44Å; H840-D862 IonicContact CE1-OD1 3.71Å; H840-D862 IonicContact CG-OD2 2.77Å; H840-D862 VanDerWaalsContact ND1-CG 3.32Å; H840-D862 IonicContact ND1-OD1 3.38Å; H840-D862 PolarHBondContact ND1-OD1 3.36Å; H840-D862 IonicContact ND1-OD2 3.57Å; H840-D862 PolarHBondContact ND1-OD2 3.39Å; H840-K864 PolarHBondContact CE1-O 3.2Å |
| 841 | T | 97.3 | Very high | 95.3 | Very high | 126 Ų | 126 | 44.5 Ų | 44.5 | 77% | 0.773 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -103.9 | 2.6 | 174.2 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | S821 D862 | S821-T841 VanDerWaalsContact OG-C 3.22Å; T841-D862 PolarHBondContact N-OD2 2.96Å; T841-D862 WeakPolarHBondContact OG1-CB 3.24Å |
| 842 | S | 97.9 | Very high | 95 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -149.2 | 177.4 | 172.8 | -171.5 | 0 | 0 | 0 | 0 | 110.3 | S821 V844 S860 Y861 | S821-S842 WeakPolarHBondContact CB-O 3.41Å; S821-S842 WeakPolarHBondContact OG-CA 3.33Å; S821-S842 PolarHBondContact OG-N 2.99Å; S821-S842 VanDerWaalsContact OG-N 3.08Å; S821-S842 PolarHBondContact OG-O 3.08Å; S842-V844 PolarHBondContact O-N 3.46Å; S842-S860 PolarHBondContact O-OG 3.12Å; S842-Y861 WeakPolarHBondContact OG-CB 3.39Å |
| 843 | D | 97.6 | Very high | 95 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 21% | 0.209 | 21% | 0.213 | C | C | . | . | trans | -40 | 120.4 | -174.4 | -40.6 | 24.8 | 0 | 0 | 0 | 113.4 | E819 R845 S860 Y861 | E819-D843 HydrophobicContact CB-CB 4.48Å; E819-D843 HydrophobicContact CG-CB 4.4Å; D843-R845 HydrophobicContact CB-CG 4.24Å; D843-R845 PolarHBondContact O-N 2.93Å; D843-R845 VanDerWaalsContact O-N 3.08Å; D843-S860 VanDerWaalsContact O-CA 3.23Å; D843-S860 WeakPolarHBondContact O-CA 3.42Å; D843-S860 WeakPolarHBondContact O-CB 3.48Å; D843-S860 PolarHBondContact O-OG 3.46Å; D843-Y861 HydrophobicContact CB-CD2 3.79Å; D843-Y861 HydrophobicContact CB-CE2 4.39Å; D843-Y861 HydrophobicContact CB-CG 4.17Å; D843-Y861 PolarHBondContact O-N 2.95Å; D843-Y861 VanDerWaalsContact O-N 3.14Å; D843-Y861 WeakPolarHBondContact OD2-CD2 3.4Å | ||
| 844 | V | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 92.3 | 176.4 | -170.5 | 0 | 0 | 0 | 0 | 109.3 | A803 G817 Q818 H840 S842 V847 T858 | A803-V844 VanDerWaalsContact CB-O 3.31Å; A803-V844 WeakPolarHBondContact CB-O 3.32Å; G817-V844 CarbonylContact C-O 3.57Å; Q818-V844 PolarHBondContact O-N 3.32Å; H840-V844 HydrophobicContact CB-CG2 4.09Å; S842-V844 PolarHBondContact O-N 3.46Å; V844-V847 HydrophobicContact CG1-CG2 3.74Å; V844-T858 HydrophobicContact CG1-CG2 4.33Å |
| 845 | R | 97.9 | Very high | 94.9 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -14.6 | -173.7 | -65.8 | -35.4 | -78.9 | 78.3 | -27.3 | 115.7 | A803 D843 G859 Y861 | A803-R845 VanDerWaalsContact CA-NH2 3.33Å; A803-R845 PolarHBondContact O-NH1 3.04Å; A803-R845 PolarHBondContact O-NH2 2.7Å; A803-R845 VanDerWaalsContact O-NH2 3.1Å; D843-R845 HydrophobicContact CB-CG 4.24Å; D843-R845 PolarHBondContact O-N 2.93Å; D843-R845 VanDerWaalsContact O-N 3.08Å; R845-G859 PolarHBondContact N-O 2.91Å; R845-Y861 HydrophobicContact CB-CD1 4.5Å; R845-Y861 HydrophobicContact CB-CE1 4.27Å; R845-Y861 HydrophobicContact CG-CD1 3.62Å; R845-Y861 HydrophobicContact CG-CD2 4.31Å; R845-Y861 HydrophobicContact CG-CE1 3.35Å; R845-Y861 HydrophobicContact CG-CE2 4.03Å; R845-Y861 HydrophobicContact CG-CG 4.14Å |
| 846 | S | 98.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 136.6 | 171.6 | -133.5 | 0 | 0 | 0 | 0 | 111.6 | T858 G859 Q892 C893 | S846-T858 CarbonylContact O-C 3.52Å; S846-T858 VanDerWaalsContact O-CA 3.25Å; S846-T858 WeakPolarHBondContact O-CA 3.14Å; S846-G859 PolarHBondContact N-O 2.89Å; S846-G859 PolarHBondContact O-N 3.43Å; S846-Q892 WeakPolarHBondContact OG-CA 3.46Å; S846-C893 VanDerWaalsContact CB-N 3.33Å; S846-C893 PolarHBondContact OG-N 2.99Å |
| 847 | V | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 125.7 | 172 | 178.8 | 0 | 0 | 0 | 0 | 108.3 | S804 A806 A815 V844 L856 L857 T858 | S804-V847 PolarHBondContact OG-N 3.37Å; S804-V847 VanDerWaalsContact OG-N 3.13Å; A806-V847 WeakPolarHBondContact CB-O 3.33Å; A815-V847 HydrophobicContact CB-CG1 3.65Å; V844-V847 HydrophobicContact CG1-CG2 3.74Å; V847-L856 HydrophobicContact CG1-CD1 3.74Å; V847-L856 HydrophobicContact CG1-CD2 3.9Å; V847-L856 HydrophobicContact CG1-CG 3.95Å; V847-L857 CarbonylContact C-O 3.58Å; V847-L857 WeakPolarHBondContact CA-O 3.41Å; V847-T858 HydrophobicContact CG2-CG2 4.23Å |
| 848 | R | 97.6 | Very high | 95.5 | Very high | 50 Ų | 50 | 37.2 Ų | 37.2 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 129.3 | 174.8 | -76.8 | -62.1 | 173.5 | 115.5 | -12.4 | 113.1 | L857 W895 | R848-L857 PolarHBondContact N-O 3.05Å; R848-L857 PolarHBondContact O-N 3.37Å; R848-W895 PolarHBondContact O-NE1 2.96Å; R848-W895 VanDerWaalsContact O-NE1 3.11Å |
| 849 | F | 96.7 | Very high | 95.7 | Very high | 14 Ų | 14 | 29.8 Ų | 29.8 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 139.9 | 164.9 | -67.7 | -80.4 | 0 | 0 | 0 | 110.8 | A806 V807 D808 L813 A815 L856 L870 W895 | A806-F849 HydrophobicContact CB-CD2 4.02Å; A806-F849 HydrophobicContact CB-CE2 4.36Å; A806-F849 WeakPolarHBondContact O-CE2 3.47Å; V807-F849 VanDerWaalsContact C-CD2 3.49Å; D808-F849 HydrophobicContact CB-CD1 4.1Å; D808-F849 HydrophobicContact CB-CD2 3.99Å; D808-F849 HydrophobicContact CB-CE1 4.07Å; D808-F849 HydrophobicContact CB-CE2 3.97Å; D808-F849 HydrophobicContact CB-CG 4.05Å; D808-F849 HydrophobicContact CB-CZ 4.01Å; D808-F849 VanDerWaalsContact N-CE2 3.33Å; L813-F849 HydrophobicContact CB-CZ 4.27Å; L813-F849 HydrophobicContact CD2-CE1 4.02Å; L813-F849 HydrophobicContact CD2-CZ 4.02Å; L813-F849 HydrophobicContact CG-CZ 4.18Å; L813-F849 WeakPolarHBondContact O-CE2 3.48Å; A815-F849 HydrophobicContact CB-CE1 4.46Å; A815-F849 HydrophobicContact CB-CE2 3.64Å; A815-F849 HydrophobicContact CB-CZ 3.57Å; F849-L856 HydrophobicContact CD1-CD1 3.73Å; F849-L856 HydrophobicContact CD2-CD1 4.21Å; F849-L856 HydrophobicContact CE1-CD1 3.79Å; F849-L856 HydrophobicContact CE2-CD1 4.26Å; F849-L856 HydrophobicContact CG-CD1 3.96Å; F849-L856 HydrophobicContact CZ-CD1 4.06Å; F849-L870 HydrophobicContact CD1-CD1 3.67Å; F849-L870 HydrophobicContact CE1-CD1 3.46Å; F849-L870 VanDerWaalsContact CE1-CD1 3.46Å; F849-W895 VanDerWaalsContact C-CD1 3.44Å |
| 850 | S | 94 | Very high | 95.9 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 5% | 0.049 | 17% | 0.168 | C | C | . | . | trans | -60.7 | 157.1 | 162.6 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | G852 A853 H854 Y855 W895 | S850-G852 PolarHBondContact O-N 3.28Å; S850-G852 VanDerWaalsContact O-N 3.09Å; S850-A853 PolarHBondContact O-N 3.22Å; S850-H854 PolarHBondContact OG-N 2.84Å; S850-Y855 PolarHBondContact N-O 3.09Å; S850-Y855 PolarHBondContact OG-N 2.66Å; S850-Y855 PolarHBondContact OG-O 3.36Å; S850-Y855 VanDerWaalsContact OG-O 3.11Å; S850-W895 VanDerWaalsContact CA-CD1 3.5Å | ||
| 851 | P | 87.8 | Confident | 95.9 | Very high | 74 Ų | 74 | 31.7 Ų | 31.7 | 48% | 0.481 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27.7 | -179.9 | -28.1 | 35.9 | 0 | 0 | 0 | 115.2 | ||
| 852 | G | 86.9 | Confident | 96 | Very high | 43 Ų | 43 | 26.6 Ų | 26.6 | 44% | 0.443 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S850 H854 | S850-G852 PolarHBondContact O-N 3.28Å; S850-G852 VanDerWaalsContact O-N 3.09Å; G852-H854 PolarHBondContact O-CE1 3.16Å; G852-H854 PolarHBondContact O-N 3.45Å; G852-H854 PolarHBondContact O-ND1 3.01Å |
| 853 | A | 90.3 | Very high | 96 | Very high | 27 Ų | 27 | 26.7 Ų | 26.7 | 22% | 0.223 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 57.1 | 4.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | D808 S850 Y855 L870 | D808-A853 HydrophobicContact CB-CB 4.31Å; S850-A853 PolarHBondContact O-N 3.22Å; A853-Y855 VanDerWaalsContact C-N 3.34Å; A853-Y855 PolarHBondContact O-N 3.44Å; A853-L870 WeakPolarHBondContact O-CD1 3.03Å |
| 854 | H | 91.6 | Very high | 96 | Very high | 94 Ų | 94 | 28.2 Ų | 28.2 | 44% | 0.435 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -70.3 | -28.6 | -179.2 | -58.9 | -35.7 | 0 | 0 | 0 | 113.9 | S850 G852 N869 L870 Q871 | S850-H854 PolarHBondContact OG-N 2.84Å; G852-H854 PolarHBondContact O-CE1 3.16Å; G852-H854 PolarHBondContact O-N 3.45Å; G852-H854 PolarHBondContact O-ND1 3.01Å; H854-N869 PolarHBondContact O-OD1 3.28Å; H854-L870 WeakPolarHBondContact O-CB 3.48Å; H854-L870 PolarHBondContact O-N 2.98Å; H854-Q871 HydrophobicContact CB-CG 4.03Å |
| 855 | Y | 94.5 | Very high | 96 | Very high | 70 Ų | 70 | 28.2 Ų | 28.2 | 28% | 0.275 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.2 | -178 | -58.8 | -67 | 0 | 0 | 0 | 111.5 | S850 A853 V867 T868 N869 L900 | S850-Y855 PolarHBondContact N-O 3.09Å; S850-Y855 PolarHBondContact OG-N 2.66Å; S850-Y855 PolarHBondContact OG-O 3.36Å; S850-Y855 VanDerWaalsContact OG-O 3.11Å; A853-Y855 VanDerWaalsContact C-N 3.34Å; A853-Y855 PolarHBondContact O-N 3.44Å; Y855-V867 HydrophobicContact CD1-CG1 3.62Å; Y855-V867 HydrophobicContact CE1-CG1 4.48Å; Y855-V867 HydrophobicContact CG-CG1 4.01Å; Y855-T868 WeakPolarHBondContact CA-O 3.33Å; Y855-N869 HydrophobicContact CD1-CB 4.43Å; Y855-N869 HydrophobicContact CE1-CB 4.35Å; Y855-L900 HydrophobicContact CD2-CD1 4.41Å |
| 856 | L | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.3 | 165.3 | -161.5 | 73.5 | 0 | 0 | 0 | 109.1 | A815 L825 Y837 V847 F849 T858 V867 T868 L870 | A815-L856 HydrophobicContact CB-CD1 3.66Å; A815-L856 HydrophobicContact CB-CD2 4.07Å; L825-L856 HydrophobicContact CD2-CD2 4.42Å; Y837-L856 VanDerWaalsContact OH-CD2 3.31Å; Y837-L856 WeakPolarHBondContact OH-CD2 3.28Å; V847-L856 HydrophobicContact CG1-CD1 3.74Å; V847-L856 HydrophobicContact CG1-CD2 3.9Å; V847-L856 HydrophobicContact CG1-CG 3.95Å; F849-L856 HydrophobicContact CD1-CD1 3.73Å; F849-L856 HydrophobicContact CD2-CD1 4.21Å; F849-L856 HydrophobicContact CE1-CD1 3.79Å; F849-L856 HydrophobicContact CE2-CD1 4.26Å; F849-L856 HydrophobicContact CG-CD1 3.96Å; F849-L856 HydrophobicContact CZ-CD1 4.06Å; L856-T858 HydrophobicContact CD2-CG2 4.1Å; L856-T858 HydrophobicContact CG-CG2 4.34Å; L856-V867 CarbonylContact O-C 3.57Å; L856-V867 WeakPolarHBondContact O-CA 3.38Å; L856-T868 PolarHBondContact N-O 2.95Å; L856-T868 PolarHBondContact O-N 2.97Å; L856-L870 HydrophobicContact CB-CD1 4.03Å; L856-L870 HydrophobicContact CB-CD2 4.35Å; L856-L870 HydrophobicContact CB-CG 4.26Å |
| 857 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.5 | 173.4 | -175.5 | 66.6 | 0 | 0 | 0 | 109 | V847 R848 V865 V867 V883 C893 W895 F902 | V847-L857 CarbonylContact C-O 3.58Å; V847-L857 WeakPolarHBondContact CA-O 3.41Å; R848-L857 PolarHBondContact N-O 3.05Å; R848-L857 PolarHBondContact O-N 3.37Å; L857-V865 HydrophobicContact CD1-CG1 3.53Å; L857-V865 HydrophobicContact CG-CG1 4.32Å; L857-V867 HydrophobicContact CD1-CG2 3.78Å; L857-V883 HydrophobicContact CD1-CG2 4.29Å; L857-C893 HydrophobicContact CD2-CB 3.69Å; L857-C893 HydrophobicContact CG-CB 3.92Å; L857-W895 HydrophobicContact CB-CZ2 3.7Å; L857-W895 VanDerWaalsContact CB-NE1 3.29Å; L857-W895 HydrophobicContact CD1-CZ2 4.28Å; L857-W895 HydrophobicContact CD2-CD2 4.18Å; L857-W895 HydrophobicContact CD2-CG 4.4Å; L857-W895 HydrophobicContact CD2-CZ2 4.38Å; L857-W895 HydrophobicContact CG-CZ2 4.36Å; L857-F902 HydrophobicContact CD1-CD1 4.13Å; L857-F902 HydrophobicContact CD1-CD2 4.27Å; L857-F902 HydrophobicContact CD1-CE1 4.19Å; L857-F902 HydrophobicContact CD1-CE2 4.35Å; L857-F902 HydrophobicContact CD1-CG 4.19Å; L857-F902 HydrophobicContact CD1-CZ 4.32Å; L857-F902 HydrophobicContact CD2-CB 3.65Å; L857-F902 HydrophobicContact CD2-CD1 4.37Å; L857-F902 HydrophobicContact CD2-CD2 4.01Å; L857-F902 HydrophobicContact CD2-CG 3.77Å |
| 858 | T | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.3 | 177 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | H840 V844 S846 V847 L856 V865 M866 | H840-T858 WeakPolarHBondContact NE2-CB 3.49Å; H840-T858 PolarHBondContact NE2-OG1 3.39Å; V844-T858 HydrophobicContact CG1-CG2 4.33Å; S846-T858 CarbonylContact O-C 3.52Å; S846-T858 VanDerWaalsContact O-CA 3.25Å; S846-T858 WeakPolarHBondContact O-CA 3.14Å; V847-T858 HydrophobicContact CG2-CG2 4.23Å; L856-T858 HydrophobicContact CD2-CG2 4.1Å; L856-T858 HydrophobicContact CG-CG2 4.34Å; T858-V865 CarbonylContact O-C 3.49Å; T858-V865 WeakPolarHBondContact O-CA 3.42Å; T858-V865 WeakPolarHBondContact O-CG1 3.44Å; T858-M866 PolarHBondContact N-O 3.26Å; T858-M866 PolarHBondContact O-N 3.45Å |
| 859 | G | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 137.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | R845 S846 | R845-G859 PolarHBondContact N-O 2.91Å; S846-G859 PolarHBondContact N-O 2.89Å; S846-G859 PolarHBondContact O-N 3.43Å |
| 860 | S | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 163.1 | -168.4 | 170.3 | 0 | 0 | 0 | 0 | 114.4 | H840 S842 D843 D862 T863 K864 V890 | H840-S860 WeakPolarHBondContact ND1-CB 3.27Å; S842-S860 PolarHBondContact O-OG 3.12Å; D843-S860 VanDerWaalsContact O-CA 3.23Å; D843-S860 WeakPolarHBondContact O-CA 3.42Å; D843-S860 WeakPolarHBondContact O-CB 3.48Å; D843-S860 PolarHBondContact O-OG 3.46Å; S860-D862 VanDerWaalsContact CB-OD1 3.27Å; S860-D862 WeakPolarHBondContact CB-OD1 3.49Å; S860-D862 PolarHBondContact O-N 3.02Å; S860-D862 PolarHBondContact OG-N 3.22Å; S860-D862 PolarHBondContact OG-OD1 3.38Å; S860-T863 PolarHBondContact O-N 3.49Å; S860-K864 PolarHBondContact N-O 3.14Å; S860-V890 WeakPolarHBondContact O-CB 3.42Å; S860-V890 PolarHBondContact O-N 3.02Å |
| 861 | Y | 98.4 | Very high | 95.2 | Very high | 57 Ų | 57 | 32.7 Ų | 32.7 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -5.8 | 166.6 | -74.1 | -2 | 0 | 0 | 0 | 114.3 | S842 D843 R845 T863 K889 V890 | S842-Y861 WeakPolarHBondContact OG-CB 3.39Å; D843-Y861 HydrophobicContact CB-CD2 3.79Å; D843-Y861 HydrophobicContact CB-CE2 4.39Å; D843-Y861 HydrophobicContact CB-CG 4.17Å; D843-Y861 PolarHBondContact O-N 2.95Å; D843-Y861 VanDerWaalsContact O-N 3.14Å; D843-Y861 WeakPolarHBondContact OD2-CD2 3.4Å; R845-Y861 HydrophobicContact CB-CD1 4.5Å; R845-Y861 HydrophobicContact CB-CE1 4.27Å; R845-Y861 HydrophobicContact CG-CD1 3.62Å; R845-Y861 HydrophobicContact CG-CD2 4.31Å; R845-Y861 HydrophobicContact CG-CE1 3.35Å; R845-Y861 HydrophobicContact CG-CE2 4.03Å; R845-Y861 HydrophobicContact CG-CG 4.14Å; Y861-T863 PolarHBondContact O-N 3.05Å; Y861-K889 HydrophobicContact CD1-CB 3.52Å; Y861-K889 HydrophobicContact CD1-CD 3.84Å; Y861-K889 HydrophobicContact CD1-CG 3.81Å; Y861-K889 HydrophobicContact CD2-CD 3.98Å; Y861-K889 HydrophobicContact CE1-CB 4Å; Y861-K889 HydrophobicContact CE1-CD 4.18Å; Y861-K889 HydrophobicContact CE1-CG 4.47Å; Y861-K889 HydrophobicContact CE2-CD 4.36Å; Y861-K889 HydrophobicContact CG-CB 4.1Å; Y861-K889 HydrophobicContact CG-CD 3.7Å; Y861-K889 HydrophobicContact CG-CG 3.85Å; Y861-V890 WeakPolarHBondContact CD1-O 3.43Å |
| 862 | D | 98.1 | Very high | 95 | Very high | 20 Ų | 20 | 32.4 Ų | 32.4 | 11% | 0.107 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 12.1 | 167.5 | 75.1 | 1.6 | 0 | 0 | 0 | 114.3 | H840 T841 S860 K864 | H840-D862 VanDerWaalsContact CA-OD2 3.24Å; H840-D862 WeakPolarHBondContact CA-OD2 3.42Å; H840-D862 WeakPolarHBondContact CB-OD2 3.44Å; H840-D862 IonicContact CE1-OD1 3.71Å; H840-D862 IonicContact CG-OD2 2.77Å; H840-D862 VanDerWaalsContact ND1-CG 3.32Å; H840-D862 IonicContact ND1-OD1 3.38Å; H840-D862 PolarHBondContact ND1-OD1 3.36Å; H840-D862 IonicContact ND1-OD2 3.57Å; H840-D862 PolarHBondContact ND1-OD2 3.39Å; T841-D862 PolarHBondContact N-OD2 2.96Å; T841-D862 WeakPolarHBondContact OG1-CB 3.24Å; S860-D862 VanDerWaalsContact CB-OD1 3.27Å; S860-D862 WeakPolarHBondContact CB-OD1 3.49Å; S860-D862 PolarHBondContact O-N 3.02Å; S860-D862 PolarHBondContact OG-N 3.22Å; S860-D862 PolarHBondContact OG-OD1 3.38Å; D862-K864 PolarHBondContact O-N 3.01Å; D862-K864 WeakPolarHBondContact OD1-CB 3.39Å; D862-K864 PolarHBondContact OD1-N 3.34Å |
| 863 | T | 98.4 | Very high | 95 | Very high | 33 Ų | 33 | 33.9 Ų | 33.9 | 20% | 0.202 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 68.3 | 0.9 | -178 | 84 | 0 | 0 | 0 | 0 | 116.3 | S860 Y861 H886 D888 | S860-T863 PolarHBondContact O-N 3.49Å; Y861-T863 PolarHBondContact O-N 3.05Å; T863-H886 VanDerWaalsContact CB-O 3.26Å; T863-H886 WeakPolarHBondContact CB-O 3.32Å; T863-H886 PolarHBondContact O-N 3.29Å; T863-H886 PolarHBondContact OG1-O 3.42Å; T863-D888 WeakPolarHBondContact CB-O 3.26Å |
| 864 | K | 97.9 | Very high | 95 | Very high | 71 Ų | 71 | 34.7 Ų | 34.7 | 31% | 0.309 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 153.3 | -175.3 | -63.5 | 174.2 | -177.9 | 177.8 | 0 | 113.4 | H840 S860 D862 M866 V882 E885 | H840-K864 PolarHBondContact CE1-O 3.2Å; S860-K864 PolarHBondContact N-O 3.14Å; D862-K864 PolarHBondContact O-N 3.01Å; D862-K864 WeakPolarHBondContact OD1-CB 3.39Å; D862-K864 PolarHBondContact OD1-N 3.34Å; K864-M866 HydrophobicContact CB-CE 4.32Å; K864-M866 HydrophobicContact CD-CE 4.12Å; K864-V882 HydrophobicContact CB-CG1 4.45Å; K864-V882 HydrophobicContact CD-CG2 4.3Å; K864-V882 HydrophobicContact CG-CG1 4.45Å; K864-E885 HydrophobicContact CG-CG 4.32Å |
| 865 | V | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.6 | 164.9 | -170.8 | 0 | 0 | 0 | 0 | 107.8 | L857 T858 V883 G884 V890 F902 | L857-V865 HydrophobicContact CD1-CG1 3.53Å; L857-V865 HydrophobicContact CG-CG1 4.32Å; T858-V865 CarbonylContact O-C 3.49Å; T858-V865 WeakPolarHBondContact O-CA 3.42Å; T858-V865 WeakPolarHBondContact O-CG1 3.44Å; V865-V883 HydrophobicContact CB-CG2 4.21Å; V865-V883 HydrophobicContact CG1-CG2 3.87Å; V865-V883 WeakPolarHBondContact O-CG2 3.47Å; V865-V883 PolarHBondContact O-N 3.19Å; V865-G884 PolarHBondContact N-O 3.32Å; V865-G884 PolarHBondContact O-N 3.34Å; V865-V890 HydrophobicContact CG2-CG1 4.15Å; V865-V890 HydrophobicContact CG2-CG2 4.06Å; V865-F902 HydrophobicContact CB-CE2 4.43Å; V865-F902 HydrophobicContact CG1-CD2 4.49Å; V865-F902 HydrophobicContact CG1-CE2 3.71Å; V865-F902 HydrophobicContact CG1-CZ 3.99Å |
| 866 | M | 97.2 | Very high | 94.6 | Very high | 19 Ų | 19 | 38 Ų | 38 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 149.1 | 178.8 | -58.8 | -159.8 | -160.9 | 0 | 0 | 112 | P839 T858 K864 T881 V882 | P839-M866 HydrophobicContact CB-SD 4.46Å; P839-M866 WeakPolarHBondContact O-CE 3.19Å; T858-M866 PolarHBondContact N-O 3.26Å; T858-M866 PolarHBondContact O-N 3.45Å; K864-M866 HydrophobicContact CB-CE 4.32Å; K864-M866 HydrophobicContact CD-CE 4.12Å; M866-T881 CarbonylContact C-O 3.6Å; M866-T881 VanDerWaalsContact CA-O 3.28Å; M866-T881 WeakPolarHBondContact CA-O 3.37Å; M866-V882 HydrophobicContact CE-CG2 3.98Å; M866-V882 HydrophobicContact CG-CG2 4.14Å; M866-V882 HydrophobicContact SD-CG2 4.14Å |
| 867 | V | 96.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129 | 166.3 | 166.2 | 0 | 0 | 0 | 0 | 108.6 | Y855 L856 L857 Q880 T881 V883 W895 | Y855-V867 HydrophobicContact CD1-CG1 3.62Å; Y855-V867 HydrophobicContact CE1-CG1 4.48Å; Y855-V867 HydrophobicContact CG-CG1 4.01Å; L856-V867 CarbonylContact O-C 3.57Å; L856-V867 WeakPolarHBondContact O-CA 3.38Å; L857-V867 HydrophobicContact CD1-CG2 3.78Å; V867-Q880 WeakPolarHBondContact O-CA 3.48Å; V867-T881 PolarHBondContact N-O 3.34Å; V867-T881 PolarHBondContact O-N 3.14Å; V867-V883 HydrophobicContact CB-CG1 3.89Å; V867-V883 HydrophobicContact CB-CG2 4.49Å; V867-V883 HydrophobicContact CG2-CB 4.4Å; V867-V883 HydrophobicContact CG2-CG1 3.82Å; V867-V883 HydrophobicContact CG2-CG2 3.81Å; V867-W895 HydrophobicContact CG2-CH2 3.91Å; V867-W895 HydrophobicContact CG2-CZ2 4.05Å |
| 868 | T | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 128.9 | 170.4 | -53.9 | 0 | 0 | 0 | 0 | 108.9 | Y837 Y855 L856 L870 L878 P879 Q880 | Y837-T868 HydrophobicContact CE2-CG2 4.29Å; Y855-T868 WeakPolarHBondContact CA-O 3.33Å; L856-T868 PolarHBondContact N-O 2.95Å; L856-T868 PolarHBondContact O-N 2.97Å; T868-L870 HydrophobicContact CG2-CD2 4.43Å; T868-L878 HydrophobicContact CG2-CB 3.42Å; T868-L878 VanDerWaalsContact CG2-CB 3.42Å; T868-L878 HydrophobicContact CG2-CD1 3.69Å; T868-L878 HydrophobicContact CG2-CG 4.19Å; T868-P879 CarbonylContact C-O 3.59Å; T868-P879 WeakPolarHBondContact CA-O 3.35Å; T868-Q880 HydrophobicContact CG2-CG 4.06Å |
| 869 | N | 93.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 23% | 0.225 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 126.1 | 174.4 | -169 | -9.8 | 0 | 0 | 0 | 110 | H854 Y855 Q871 P879 | H854-N869 PolarHBondContact O-OD1 3.28Å; Y855-N869 HydrophobicContact CD1-CB 4.43Å; Y855-N869 HydrophobicContact CE1-CB 4.35Å; N869-Q871 VanDerWaalsContact OD1-CB 3.28Å; N869-Q871 WeakPolarHBondContact OD1-CB 3.43Å; N869-Q871 WeakPolarHBondContact OD1-CG 3.41Å; N869-Q871 PolarHBondContact OD1-N 3.22Å; N869-P879 HydrophobicContact CB-CB 4.2Å; N869-P879 HydrophobicContact CB-CG 4.37Å; N869-P879 PolarHBondContact N-O 3.32Å |
| 870 | L | 93.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | trans | -104.1 | 4.1 | 179.8 | -57.4 | -179.9 | 0 | 0 | 0 | 112.8 | L825 F849 A853 H854 L856 T868 L874 L878 | L825-L870 HydrophobicContact CD1-CD2 4.07Å; F849-L870 HydrophobicContact CD1-CD1 3.67Å; F849-L870 HydrophobicContact CE1-CD1 3.46Å; F849-L870 VanDerWaalsContact CE1-CD1 3.46Å; A853-L870 WeakPolarHBondContact O-CD1 3.03Å; H854-L870 WeakPolarHBondContact O-CB 3.48Å; H854-L870 PolarHBondContact O-N 2.98Å; L856-L870 HydrophobicContact CB-CD1 4.03Å; L856-L870 HydrophobicContact CB-CD2 4.35Å; L856-L870 HydrophobicContact CB-CG 4.26Å; T868-L870 HydrophobicContact CG2-CD2 4.43Å; L870-L874 HydrophobicContact CB-CD2 4.14Å; L870-L874 HydrophobicContact CD2-CD2 4.25Å; L870-L874 WeakPolarHBondContact O-CD2 3.38Å; L870-L878 HydrophobicContact CD2-CD1 3.91Å | ||
| 871 | Q | 88.5 | Confident | 93.2 | Very high | 106 Ų | 106 | 58.3 Ų | 58.3 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -76.3 | 126.4 | 175.6 | -62.6 | -179.7 | -19.1 | 0 | 0 | 110.6 | H854 N869 | H854-Q871 HydrophobicContact CB-CG 4.03Å; N869-Q871 VanDerWaalsContact OD1-CB 3.28Å; N869-Q871 WeakPolarHBondContact OD1-CB 3.43Å; N869-Q871 WeakPolarHBondContact OD1-CG 3.41Å; N869-Q871 PolarHBondContact OD1-N 3.22Å |
| 872 | G | 84.7 | Confident | 93.1 | Very high | 69 Ų | 69 | 58.7 Ų | 58.7 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 108.8 | -144.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L874 | G872-L874 PolarHBondContact O-N 2.82Š|
| 873 | D | 87.4 | Confident | 93 | Very high | 73 Ų | 73 | 58.2 Ų | 58.2 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | trans | -87.6 | 100.8 | -173.3 | -178.5 | -2.7 | 0 | 0 | 0 | 111.4 | T875 K876 | D873-T875 PolarHBondContact O-N 3.11Å; D873-T875 WeakPolarHBondContact OD1-CB 3.47Å; D873-T875 PolarHBondContact OD1-N 2.98Å; D873-T875 PolarHBondContact OD1-OG1 2.95Å; D873-T875 PolarHBondContact OD2-OG1 3.02Å; D873-K876 HydrophobicContact CB-CD 4.16Å; D873-K876 HydrophobicContact CB-CG 4.44Å; D873-K876 PolarHBondContact O-N 3.11Å; D873-K876 VanDerWaalsContact O-N 3.1Å; D873-K876 WeakPolarHBondContact OD2-CD 3.21Å; D873-K876 WeakPolarHBondContact OD2-CE 3.42Å; D873-K876 IonicContact OD2-NZ 3.47Å; D873-K876 PolarHBondContact OD2-NZ 3.23Å | ||
| 874 | L | 90.1 | Very high | 92.8 | Very high | 45 Ų | 45 | 57 Ų | 57 | 24% | 0.236 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -5.8 | -179.2 | -61 | 179.2 | 0 | 0 | 0 | 114.7 | L813 V834 Q835 L870 G872 L878 | L813-L874 HydrophobicContact CD2-CD1 4.08Å; V834-L874 HydrophobicContact CG1-CB 3.75Å; Q835-L874 PolarHBondContact OE1-O 2.73Å; L870-L874 HydrophobicContact CB-CD2 4.14Å; L870-L874 HydrophobicContact CD2-CD2 4.25Å; L870-L874 WeakPolarHBondContact O-CD2 3.38Å; G872-L874 PolarHBondContact O-N 2.82Å; L874-L878 HydrophobicContact CD2-CD2 4.01Å |
| 875 | T | 87 | Confident | 92.7 | Very high | 101 Ų | 101 | 59.1 Ų | 59.1 | 62% | 0.62 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -16.6 | 174.3 | 69.9 | 0 | 0 | 0 | 0 | 112.8 | D873 | D873-T875 PolarHBondContact O-N 3.11Å; D873-T875 WeakPolarHBondContact OD1-CB 3.47Å; D873-T875 PolarHBondContact OD1-N 2.98Å; D873-T875 PolarHBondContact OD1-OG1 2.95Å; D873-T875 PolarHBondContact OD2-OG1 3.02Å |
| 876 | K | 89.1 | Confident | 92.7 | Very high | 133 Ų | 133 | 59.8 Ų | 59.8 | 58% | 0.578 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -93.1 | 165.4 | -179.3 | -68 | 176.8 | 179.1 | 132.1 | 0 | 111.6 | Q835 D873 L878 | Q835-K876 PolarHBondContact NE2-O 3Å; D873-K876 HydrophobicContact CB-CD 4.16Å; D873-K876 HydrophobicContact CB-CG 4.44Å; D873-K876 PolarHBondContact O-N 3.11Å; D873-K876 VanDerWaalsContact O-N 3.1Å; D873-K876 WeakPolarHBondContact OD2-CD 3.21Å; D873-K876 WeakPolarHBondContact OD2-CE 3.42Å; D873-K876 IonicContact OD2-NZ 3.47Å; D873-K876 PolarHBondContact OD2-NZ 3.23Å; K876-L878 PolarHBondContact O-N 3.32Å |
| 877 | Q | 89.9 | Confident | 92.6 | Very high | 189 Ų | 189 | 64 Ų | 64 | 88% | 0.883 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 122.7 | 173.8 | -72.2 | -175.2 | -16.3 | 0 | 0 | 110.3 | ||
| 878 | L | 93.1 | Very high | 92.7 | Very high | 18 Ų | 18 | 66.6 Ų | 66.6 | 9% | 0.094 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -81 | 136 | -177.4 | -59.6 | 172.8 | 0 | 0 | 0 | 110.4 | L825 Q835 Y837 T868 L870 L874 K876 Q880 | L825-L878 HydrophobicContact CD1-CD1 3.78Å; Q835-L878 VanDerWaalsContact OE1-CG 3.24Å; Y837-L878 HydrophobicContact CD1-CD1 4.27Å; Y837-L878 HydrophobicContact CE1-CD1 3.71Å; T868-L878 HydrophobicContact CG2-CB 3.42Å; T868-L878 VanDerWaalsContact CG2-CB 3.42Å; T868-L878 HydrophobicContact CG2-CD1 3.69Å; T868-L878 HydrophobicContact CG2-CG 4.19Å; L870-L878 HydrophobicContact CD2-CD1 3.91Å; L874-L878 HydrophobicContact CD2-CD2 4.01Å; K876-L878 PolarHBondContact O-N 3.32Å; L878-Q880 PolarHBondContact O-N 3.12Å |
| 879 | P | 92.6 | Very high | 92.8 | Very high | 79 Ų | 79 | 71 Ų | 71 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 127.7 | 171.9 | -21 | 32.6 | 0 | 0 | 0 | 110.9 | T868 N869 | T868-P879 CarbonylContact C-O 3.59Å; T868-P879 WeakPolarHBondContact CA-O 3.35Å; N869-P879 HydrophobicContact CB-CB 4.2Å; N869-P879 HydrophobicContact CB-CG 4.37Å; N869-P879 PolarHBondContact N-O 3.32Å |
| 880 | Q | 92.9 | Very high | 93.1 | Very high | 73 Ų | 73 | 69 Ų | 69 | 34% | 0.341 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144 | -179.9 | -68.9 | 160.7 | 19.9 | 0 | 0 | 109.4 | V867 T868 L878 | V867-Q880 WeakPolarHBondContact O-CA 3.48Å; T868-Q880 HydrophobicContact CG2-CG 4.06Å; L878-Q880 PolarHBondContact O-N 3.12Å |
| 881 | T | 94.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 69.1 Ų | 69.1 | 41% | 0.405 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 135.4 | 176.3 | -46.7 | 0 | 0 | 0 | 0 | 110.5 | L595 M866 V867 V883 | L595-T881 HydrophobicContact CD1-CG2 3.92Å; M866-T881 CarbonylContact C-O 3.6Å; M866-T881 VanDerWaalsContact CA-O 3.28Å; M866-T881 WeakPolarHBondContact CA-O 3.37Å; V867-T881 PolarHBondContact N-O 3.34Å; V867-T881 PolarHBondContact O-N 3.14Å; T881-V883 PolarHBondContact O-N 2.99Å |
| 882 | V | 96.1 | Very high | 93.7 | Very high | 66 Ų | 66 | 65 Ų | 65 | 40% | 0.4 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 126.6 | 171 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | K864 M866 | K864-V882 HydrophobicContact CB-CG1 4.45Å; K864-V882 HydrophobicContact CD-CG2 4.3Å; K864-V882 HydrophobicContact CG-CG1 4.45Å; M866-V882 HydrophobicContact CE-CG2 3.98Å; M866-V882 HydrophobicContact CG-CG2 4.14Å; M866-V882 HydrophobicContact SD-CG2 4.14Å |
| 883 | V | 95.2 | Very high | 94.3 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 6% | 0.055 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | -2.5 | -176.3 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | F596 L857 V865 V867 T881 F902 | F596-V883 HydrophobicContact CB-CB 4.18Å; F596-V883 WeakPolarHBondContact CB-O 3.2Å; F596-V883 HydrophobicContact CD2-CB 3.75Å; F596-V883 HydrophobicContact CD2-CG1 3.58Å; F596-V883 HydrophobicContact CE2-CB 4.49Å; F596-V883 HydrophobicContact CE2-CG1 4.02Å; F596-V883 HydrophobicContact CG-CB 4.19Å; F596-V883 HydrophobicContact CG-CG1 4.49Å; L857-V883 HydrophobicContact CD1-CG2 4.29Å; V865-V883 HydrophobicContact CB-CG2 4.21Å; V865-V883 HydrophobicContact CG1-CG2 3.87Å; V865-V883 WeakPolarHBondContact O-CG2 3.47Å; V865-V883 PolarHBondContact O-N 3.19Å; V867-V883 HydrophobicContact CB-CG1 3.89Å; V867-V883 HydrophobicContact CB-CG2 4.49Å; V867-V883 HydrophobicContact CG2-CB 4.4Å; V867-V883 HydrophobicContact CG2-CG1 3.82Å; V867-V883 HydrophobicContact CG2-CG2 3.81Å; T881-V883 PolarHBondContact O-N 2.99Å; V883-F902 HydrophobicContact CB-CE1 4.22Å; V883-F902 HydrophobicContact CB-CZ 4.17Å; V883-F902 HydrophobicContact CG2-CE1 3.76Å; V883-F902 HydrophobicContact CG2-CZ 3.54Å |
| 884 | G | 93.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 7% | 0.072 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.8 | 153.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V865 | V865-G884 PolarHBondContact N-O 3.32Å; V865-G884 PolarHBondContact O-N 3.34Å |
| 885 | E | 96.1 | Very high | 95.1 | Very high | 117 Ų | 117 | 58 Ų | 58 | 55% | 0.547 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 142.9 | 178.3 | -168.9 | 167.2 | 153.7 | 0 | 0 | 109 | K864 | K864-E885 HydrophobicContact CG-CG 4.32Å |
| 886 | H | 97.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 6% | 0.06 | 28% | 0.278 | C | S | . | . | trans | -115.8 | 163.7 | 178.3 | -86.9 | -87 | 0 | 0 | 0 | 110 | T863 D888 V890 S904 S906 D908 T910 | T863-H886 VanDerWaalsContact CB-O 3.26Å; T863-H886 WeakPolarHBondContact CB-O 3.32Å; T863-H886 PolarHBondContact O-N 3.29Å; T863-H886 PolarHBondContact OG1-O 3.42Å; H886-D888 VanDerWaalsContact C-N 3.28Å; H886-D888 WeakPolarHBondContact CB-O 3.26Å; H886-V890 HydrophobicContact CB-CG2 4.09Å; H886-S904 PolarHBondContact NE2-OG 3.36Å; H886-S906 WeakPolarHBondContact ND1-CB 3.48Å; H886-D908 VanDerWaalsContact CB-OD2 3.26Å; H886-D908 WeakPolarHBondContact CB-OD2 3.39Å; H886-D908 IonicContact CE1-OD2 2.66Å; H886-D908 IonicContact CG-OD2 3.72Å; H886-D908 IonicContact ND1-OD1 3.93Å; H886-D908 IonicContact ND1-OD2 3.2Å; H886-D908 PolarHBondContact ND1-OD2 3.35Å; H886-T910 PolarHBondContact CE1-OG1 2.81Å; H886-T910 VanDerWaalsContact CE1-OG1 3.28Å; H886-T910 PolarHBondContact ND1-OG1 3.15Å | ||
| 887 | S | 97.1 | Very high | 95.5 | Very high | 109 Ų | 109 | 49.8 Ų | 49.8 | 76% | 0.762 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -85 | -3.1 | 178.1 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | D908 | S887-D908 PolarHBondContact N-OD2 3.06Å; S887-D908 WeakPolarHBondContact OG-CB 3.44Å |
| 888 | D | 98.1 | Very high | 95.3 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -152.9 | -177.8 | 174.6 | -162.1 | -7.8 | 0 | 0 | 0 | 108.5 | T863 H886 V890 S906 A907 D908 | T863-D888 WeakPolarHBondContact CB-O 3.26Å; H886-D888 VanDerWaalsContact C-N 3.28Å; H886-D888 WeakPolarHBondContact CB-O 3.26Å; D888-V890 PolarHBondContact O-N 3.41Å; D888-S906 PolarHBondContact O-OG 3.31Å; D888-A907 HydrophobicContact CB-CB 4.05Å; D888-A907 WeakPolarHBondContact OD2-CB 3.45Å; D888-D908 HydrophobicContact CB-CB 3.84Å |
| 889 | K | 98.3 | Very high | 95.1 | Very high | 92 Ų | 92 | 50.2 Ų | 50.2 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | trans | -50.1 | 123.9 | -175.9 | -68.9 | 177.8 | 179.4 | -166.5 | 0 | 114.4 | Y861 S906 A907 | Y861-K889 HydrophobicContact CD1-CB 3.52Å; Y861-K889 HydrophobicContact CD1-CD 3.84Å; Y861-K889 HydrophobicContact CD1-CG 3.81Å; Y861-K889 HydrophobicContact CD2-CD 3.98Å; Y861-K889 HydrophobicContact CE1-CB 4Å; Y861-K889 HydrophobicContact CE1-CD 4.18Å; Y861-K889 HydrophobicContact CE1-CG 4.47Å; Y861-K889 HydrophobicContact CE2-CD 4.36Å; Y861-K889 HydrophobicContact CG-CB 4.1Å; Y861-K889 HydrophobicContact CG-CD 3.7Å; Y861-K889 HydrophobicContact CG-CG 3.85Å; K889-S906 WeakPolarHBondContact O-CA 3.26Å; K889-S906 PolarHBondContact O-OG 3.42Å; K889-A907 HydrophobicContact CB-CB 3.98Å; K889-A907 PolarHBondContact O-N 3.48Å | ||
| 890 | V | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 137.1 | 169.4 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | S860 Y861 V865 H886 D888 | S860-V890 WeakPolarHBondContact O-CB 3.42Å; S860-V890 PolarHBondContact O-N 3.02Å; Y861-V890 WeakPolarHBondContact CD1-O 3.43Å; V865-V890 HydrophobicContact CG2-CG1 4.15Å; V865-V890 HydrophobicContact CG2-CG2 4.06Å; H886-V890 HydrophobicContact CB-CG2 4.09Å; D888-V890 PolarHBondContact O-N 3.41Å |
| 891 | I | 97.9 | Very high | 95 | Very high | 19 Ų | 19 | 46.2 Ų | 46.2 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | -54.7 | -170.9 | -54.7 | -178.3 | 0 | 0 | 0 | 111.8 | R609 S905 A907 | R609-I891 HydrophobicContact CB-CG2 4.22Å; R609-I891 HydrophobicContact CG-CD1 4.06Å; I891-S905 PolarHBondContact N-O 3.2Å; I891-A907 HydrophobicContact CD1-CB 4.31Å |
| 892 | Q | 97.6 | Very high | 95 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 144.9 | 174.4 | -76.1 | -169.5 | -15.6 | 0 | 0 | 111.7 | R609 V611 S846 S904 S905 | R609-Q892 WeakPolarHBondContact O-CG 3.28Å; V611-Q892 HydrophobicContact CG2-CB 3.93Å; V611-Q892 PolarHBondContact O-OE1 3.21Å; S846-Q892 WeakPolarHBondContact OG-CA 3.46Å; Q892-S904 CarbonylContact O-C 3.52Å; Q892-S904 WeakPolarHBondContact O-CA 3.43Å; Q892-S905 WeakPolarHBondContact CB-OG 3.43Å; Q892-S905 PolarHBondContact N-OG 3.02Å; Q892-S905 PolarHBondContact O-N 3.49Å; Q892-S905 PolarHBondContact O-OG 3.21Å |
| 893 | C | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142 | 169.1 | -65.7 | 0 | 0 | 0 | 0 | 109.6 | S846 L857 L903 | S846-C893 VanDerWaalsContact CB-N 3.33Å; S846-C893 PolarHBondContact OG-N 2.99Å; L857-C893 HydrophobicContact CD2-CB 3.69Å; L857-C893 HydrophobicContact CG-CB 3.92Å; C893-L903 CarbonylContact C-O 3.6Å; C893-L903 VanDerWaalsContact CA-O 3.28Å; C893-L903 WeakPolarHBondContact CA-O 3.26Å |
| 894 | R | 97.4 | Very high | 95.3 | Very high | 20 Ų | 20 | 39.5 Ų | 39.5 | 8% | 0.075 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 126.1 | 178.7 | -65.2 | -66.1 | -175.3 | -120.7 | 12 | 110.1 | V611 F613 F902 L903 | V611-R894 HydrophobicContact CG2-CG 4.05Å; V611-R894 WeakPolarHBondContact O-CG 3.23Å; V611-R894 PolarHBondContact O-NE 3.49Å; F613-R894 HydrophobicContact CD2-CB 4.18Å; F613-R894 HydrophobicContact CE2-CB 4.42Å; F613-R894 WeakPolarHBondContact CE2-O 3.5Å; R894-F902 CarbonylContact O-C 3.51Å; R894-F902 WeakPolarHBondContact O-CA 3.47Å; R894-F902 VanDerWaalsContact O-CB 3.26Å; R894-F902 WeakPolarHBondContact O-CB 3.31Å; R894-L903 PolarHBondContact N-O 3.03Å; R894-L903 PolarHBondContact O-N 2.97Å |
| 895 | W | 96.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 8% | 0.08 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 146.3 | 164.5 | -68.7 | 106.9 | 0 | 0 | 0 | 110.9 | F596 F613 R848 F849 S850 L857 V867 L900 F902 | F596-W895 HydrophobicContact CE1-CZ3 4.17Å; F596-W895 HydrophobicContact CZ-CH2 4.13Å; F596-W895 HydrophobicContact CZ-CZ3 4.05Å; F613-W895 WeakPolarHBondContact CD2-O 3.36Å; R848-W895 PolarHBondContact O-NE1 2.96Å; R848-W895 VanDerWaalsContact O-NE1 3.11Å; F849-W895 VanDerWaalsContact C-CD1 3.44Å; S850-W895 VanDerWaalsContact CA-CD1 3.5Å; L857-W895 HydrophobicContact CB-CZ2 3.7Å; L857-W895 VanDerWaalsContact CB-NE1 3.29Å; L857-W895 HydrophobicContact CD1-CZ2 4.28Å; L857-W895 HydrophobicContact CD2-CD2 4.18Å; L857-W895 HydrophobicContact CD2-CG 4.4Å; L857-W895 HydrophobicContact CD2-CZ2 4.38Å; L857-W895 HydrophobicContact CG-CZ2 4.36Å; V867-W895 HydrophobicContact CG2-CH2 3.91Å; V867-W895 HydrophobicContact CG2-CZ2 4.05Å; W895-L900 HydrophobicContact CE3-CD1 4.47Å; W895-L900 HydrophobicContact CH2-CD1 4.23Å; W895-L900 HydrophobicContact CZ3-CD1 3.78Å; W895-F902 HydrophobicContact CD2-CB 4.47Å; W895-F902 HydrophobicContact CE3-CB 4.02Å; W895-F902 HydrophobicContact CE3-CD1 4.47Å; W895-F902 HydrophobicContact CH2-CD1 4.4Å; W895-F902 HydrophobicContact CZ3-CB 4.39Å; W895-F902 AromaticContact CZ3-CD1 4Å; W895-F902 HydrophobicContact CZ3-CD1 4Å |
| 896 | H | 95.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.032 | 18% | 0.176 | C | C | . | . | trans | -66.3 | 158.4 | 162.1 | -179.5 | -102.7 | 0 | 0 | 0 | 110.2 | F613 G617 Y634 Q898 D899 S901 | F613-H896 AromaticContact CD1-CD2 3.75Å; F613-H896 HydrophobicContact CD2-CB 4.43Å; F613-H896 HydrophobicContact CE1-CB 4.21Å; F613-H896 AromaticContact CE1-CD2 3.59Å; F613-H896 HydrophobicContact CE2-CB 3.94Å; F613-H896 HydrophobicContact CZ-CB 3.79Å; G617-H896 WeakPolarHBondContact CA-NE2 3.47Å; G617-H896 PolarHBondContact O-NE2 3.13Å; Y634-H896 AromaticContact CE1-NE2 4Å; Y634-H896 AromaticContact CE2-CD2 3.83Å; H896-Q898 PolarHBondContact ND1-N 3.36Å; H896-Q898 PolarHBondContact O-N 3.36Å; H896-D899 IonicContact CE1-OD1 3.72Å; H896-D899 PolarHBondContact CE1-OD1 3.01Å; H896-D899 VanDerWaalsContact ND1-CB 3.34Å; H896-D899 WeakPolarHBondContact ND1-CB 3.27Å; H896-D899 PolarHBondContact ND1-N 3.49Å; H896-D899 IonicContact ND1-OD1 2.87Å; H896-S901 WeakPolarHBondContact CB-O 3.19Å; H896-S901 WeakPolarHBondContact CB-OG 3.37Å; H896-S901 PolarHBondContact N-O 2.99Å | ||
| 897 | T | 89.1 | Confident | 95.6 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 33% | 0.331 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -77.5 | -19.8 | -170.8 | 53 | 0 | 0 | 0 | 0 | 114 | P615 | P615-T897 PolarHBondContact O-OG1 3.48Š|
| 898 | Q | 86.8 | Confident | 95.6 | Very high | 155 Ų | 155 | 30 Ų | 30 | 72% | 0.724 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -133.7 | -65 | -175.5 | -59.6 | 179.2 | 8.3 | 0 | 0 | 111.7 | H896 | H896-Q898 PolarHBondContact ND1-N 3.36Å; H896-Q898 PolarHBondContact O-N 3.36Å |
| 899 | D | 87.2 | Confident | 95.6 | Very high | 61 Ų | 61 | 32.8 Ų | 32.8 | 33% | 0.326 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -56.9 | 149.2 | 174.6 | -56.5 | 17.3 | 0 | 0 | 0 | 113.9 | Y634 H896 S901 | Y634-D899 WeakPolarHBondContact CE1-OD2 3.04Å; Y634-D899 WeakPolarHBondContact OH-CB 3.29Å; Y634-D899 PolarHBondContact OH-OD2 3.25Å; H896-D899 IonicContact CE1-OD1 3.72Å; H896-D899 PolarHBondContact CE1-OD1 3.01Å; H896-D899 VanDerWaalsContact ND1-CB 3.34Å; H896-D899 WeakPolarHBondContact ND1-CB 3.27Å; H896-D899 PolarHBondContact ND1-N 3.49Å; H896-D899 IonicContact ND1-OD1 2.87Å; D899-S901 PolarHBondContact O-N 3.31Å |
| 900 | L | 89.9 | Confident | 95.6 | Very high | 68 Ų | 68 | 29.6 Ų | 29.6 | 36% | 0.356 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -76.7 | 69 | 167.1 | -166.1 | 63.1 | 0 | 0 | 0 | 110.6 | F596 Y855 W895 H916 | F596-L900 HydrophobicContact CE1-CG 4.39Å; F596-L900 HydrophobicContact CZ-CD1 4.46Å; F596-L900 HydrophobicContact CZ-CG 4.07Å; Y855-L900 HydrophobicContact CD2-CD1 4.41Å; W895-L900 HydrophobicContact CE3-CD1 4.47Å; W895-L900 HydrophobicContact CH2-CD1 4.23Å; W895-L900 HydrophobicContact CZ3-CD1 3.78Å; L900-H916 HydrophobicContact CB-CB 4.18Å; L900-H916 HydrophobicContact CD2-CB 3.85Å; L900-H916 VanDerWaalsContact CD2-CD2 3.47Å; L900-H916 WeakPolarHBondContact CD2-CD2 3.49Å; L900-H916 HydrophobicContact CG-CB 3.92Å; L900-H916 WeakPolarHBondContact O-CB 3.38Å; L900-H916 PolarHBondContact O-N 3.45Å; L900-H916 VanDerWaalsContact O-N 3.11Å |
| 901 | S | 93.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 158.2 | 177.1 | 65.2 | 0 | 0 | 0 | 0 | 110.3 | Y634 H896 D899 W914 | Y634-S901 PolarHBondContact OH-OG 2.67Å; H896-S901 WeakPolarHBondContact CB-O 3.19Å; H896-S901 WeakPolarHBondContact CB-OG 3.37Å; H896-S901 PolarHBondContact N-O 2.99Å; D899-S901 PolarHBondContact O-N 3.31Å; S901-W914 CarbonylContact C-O 3.47Å; S901-W914 WeakPolarHBondContact CA-O 3.16Å; S901-W914 WeakPolarHBondContact CB-O 3.42Å |
| 902 | F | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 154.3 | 179.1 | 67.2 | -97.3 | 0 | 0 | 0 | 112.7 | F596 L857 V865 V883 R894 W895 W914 | F596-F902 HydrophobicContact CB-CE1 4.17Å; F596-F902 AromaticContact CD1-CD1 3.79Å; F596-F902 HydrophobicContact CD1-CD1 3.79Å; F596-F902 AromaticContact CD1-CE1 3.42Å; F596-F902 HydrophobicContact CD1-CE1 3.42Å; F596-F902 VanDerWaalsContact CD1-CE1 3.42Å; F596-F902 HydrophobicContact CD1-CZ 4.48Å; F596-F902 HydrophobicContact CD2-CE1 4.26Å; F596-F902 AromaticContact CE1-CD1 3.77Å; F596-F902 HydrophobicContact CE1-CD1 3.77Å; F596-F902 AromaticContact CE1-CE1 3.78Å; F596-F902 HydrophobicContact CE1-CE1 3.78Å; F596-F902 HydrophobicContact CG-CD1 4.49Å; F596-F902 AromaticContact CG-CE1 3.7Å; F596-F902 HydrophobicContact CG-CE1 3.7Å; F596-F902 HydrophobicContact CZ-CD1 4.44Å; F596-F902 HydrophobicContact CZ-CE1 4.33Å; L857-F902 HydrophobicContact CD1-CD1 4.13Å; L857-F902 HydrophobicContact CD1-CD2 4.27Å; L857-F902 HydrophobicContact CD1-CE1 4.19Å; L857-F902 HydrophobicContact CD1-CE2 4.35Å; L857-F902 HydrophobicContact CD1-CG 4.19Å; L857-F902 HydrophobicContact CD1-CZ 4.32Å; L857-F902 HydrophobicContact CD2-CB 3.65Å; L857-F902 HydrophobicContact CD2-CD1 4.37Å; L857-F902 HydrophobicContact CD2-CD2 4.01Å; L857-F902 HydrophobicContact CD2-CG 3.77Å; V865-F902 HydrophobicContact CB-CE2 4.43Å; V865-F902 HydrophobicContact CG1-CD2 4.49Å; V865-F902 HydrophobicContact CG1-CE2 3.71Å; V865-F902 HydrophobicContact CG1-CZ 3.99Å; V883-F902 HydrophobicContact CB-CE1 4.22Å; V883-F902 HydrophobicContact CB-CZ 4.17Å; V883-F902 HydrophobicContact CG2-CE1 3.76Å; V883-F902 HydrophobicContact CG2-CZ 3.54Å; R894-F902 CarbonylContact O-C 3.51Å; R894-F902 WeakPolarHBondContact O-CA 3.47Å; R894-F902 VanDerWaalsContact O-CB 3.26Å; R894-F902 WeakPolarHBondContact O-CB 3.31Å; W895-F902 HydrophobicContact CD2-CB 4.47Å; W895-F902 HydrophobicContact CE3-CB 4.02Å; W895-F902 HydrophobicContact CE3-CD1 4.47Å; W895-F902 HydrophobicContact CH2-CD1 4.4Å; W895-F902 HydrophobicContact CZ3-CB 4.39Å; W895-F902 AromaticContact CZ3-CD1 4Å; W895-F902 HydrophobicContact CZ3-CD1 4Å; F902-W914 HydrophobicContact CD1-CB 4.15Å; F902-W914 HydrophobicContact CD2-CB 4.11Å; F902-W914 AromaticContact CD2-CD1 3.62Å; F902-W914 HydrophobicContact CD2-CG 4.1Å; F902-W914 HydrophobicContact CE1-CB 3.76Å; F902-W914 HydrophobicContact CE1-CG 4.31Å; F902-W914 HydrophobicContact CE2-CB 3.7Å; F902-W914 AromaticContact CE2-CD1 3.14Å; F902-W914 HydrophobicContact CE2-CD2 4.23Å; F902-W914 AromaticContact CE2-CG 3.42Å; F902-W914 HydrophobicContact CE2-CG 3.42Å; F902-W914 VanDerWaalsContact CE2-CG 3.42Å; F902-W914 AromaticContact CE2-NE1 3.78Å; F902-W914 HydrophobicContact CG-CB 4.31Å; F902-W914 HydrophobicContact CZ-CB 3.49Å; F902-W914 VanDerWaalsContact CZ-CB 3.49Å; F902-W914 AromaticContact CZ-CD1 3.78Å; F902-W914 HydrophobicContact CZ-CD2 4.2Å; F902-W914 AromaticContact CZ-CG 3.54Å; F902-W914 HydrophobicContact CZ-CG 3.54Å; F902-W914 PolarHBondContact N-O 2.75Å; F902-W914 PolarHBondContact O-N 2.89Å |
| 903 | L | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 141.3 | 167.8 | -71.7 | 164.3 | 0 | 0 | 0 | 109.8 | V611 F613 Y620 C893 R894 V911 T912 L913 | V611-L903 HydrophobicContact CG2-CB 4.39Å; F613-L903 HydrophobicContact CD1-CD1 4.19Å; F613-L903 HydrophobicContact CD2-CD1 4Å; F613-L903 HydrophobicContact CE1-CD1 3.76Å; F613-L903 HydrophobicContact CE1-CG 4.18Å; F613-L903 HydrophobicContact CE2-CB 4.19Å; F613-L903 HydrophobicContact CE2-CD1 3.57Å; F613-L903 HydrophobicContact CE2-CG 3.71Å; F613-L903 HydrophobicContact CG-CD1 4.32Å; F613-L903 HydrophobicContact CZ-CB 4.41Å; F613-L903 HydrophobicContact CZ-CD1 3.46Å; F613-L903 VanDerWaalsContact CZ-CD1 3.46Å; F613-L903 HydrophobicContact CZ-CG 3.48Å; F613-L903 VanDerWaalsContact CZ-CG 3.48Å; Y620-L903 HydrophobicContact CD1-CD1 4.35Å; Y620-L903 HydrophobicContact CD2-CD1 3.52Å; Y620-L903 HydrophobicContact CD2-CD2 4.05Å; Y620-L903 HydrophobicContact CD2-CG 4.47Å; Y620-L903 HydrophobicContact CE2-CD1 4.19Å; Y620-L903 HydrophobicContact CE2-CD2 3.84Å; Y620-L903 HydrophobicContact CG-CD1 3.6Å; C893-L903 CarbonylContact C-O 3.6Å; C893-L903 VanDerWaalsContact CA-O 3.28Å; C893-L903 WeakPolarHBondContact CA-O 3.26Å; R894-L903 PolarHBondContact N-O 3.03Å; R894-L903 PolarHBondContact O-N 2.97Å; L903-V911 HydrophobicContact CD2-CG1 3.83Å; L903-T912 WeakPolarHBondContact CA-O 3.48Å; L903-L913 HydrophobicContact CD2-CB 3.88Å; L903-L913 HydrophobicContact CD2-CD1 3.99Å; L903-L913 HydrophobicContact CG-CD1 4.23Å |
| 904 | S | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.4 | 162.2 | 58.2 | 0 | 0 | 0 | 0 | 110.5 | H886 Q892 V911 T912 W914 | H886-S904 PolarHBondContact NE2-OG 3.36Å; Q892-S904 CarbonylContact O-C 3.52Å; Q892-S904 WeakPolarHBondContact O-CA 3.43Å; S904-V911 VanDerWaalsContact O-CA 3.26Å; S904-V911 WeakPolarHBondContact O-CA 3.29Å; S904-T912 PolarHBondContact N-O 3Å; S904-T912 PolarHBondContact O-N 3.28Å; S904-W914 PolarHBondContact OG-NE1 3.03Å |
| 905 | S | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 146.7 | 172 | 68 | 0 | 0 | 0 | 0 | 110.5 | V608 R609 I891 Q892 | V608-S905 WeakPolarHBondContact O-CB 3.22Å; R609-S905 PolarHBondContact O-OG 3.02Å; I891-S905 PolarHBondContact N-O 3.2Å; Q892-S905 WeakPolarHBondContact CB-OG 3.43Å; Q892-S905 PolarHBondContact N-OG 3.02Å; Q892-S905 PolarHBondContact O-N 3.49Å; Q892-S905 PolarHBondContact O-OG 3.21Å |
| 906 | S | 98.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 156.7 | -173 | 174.4 | 0 | 0 | 0 | 0 | 114.3 | V608 H886 D888 K889 D908 R909 T910 | V608-S906 PolarHBondContact N-O 3.25Å; V608-S906 VanDerWaalsContact N-O 3.1Å; V608-S906 PolarHBondContact O-N 3.17Å; H886-S906 WeakPolarHBondContact ND1-CB 3.48Å; D888-S906 PolarHBondContact O-OG 3.31Å; K889-S906 WeakPolarHBondContact O-CA 3.26Å; K889-S906 PolarHBondContact O-OG 3.42Å; S906-D908 VanDerWaalsContact CB-CG 3.45Å; S906-D908 VanDerWaalsContact CB-OD1 3.22Å; S906-D908 WeakPolarHBondContact CB-OD1 3.42Å; S906-D908 WeakPolarHBondContact CB-OD2 3.47Å; S906-D908 PolarHBondContact O-N 2.95Å; S906-D908 PolarHBondContact OG-N 3.45Å; S906-D908 VanDerWaalsContact OG-N 3.12Å; S906-D908 PolarHBondContact OG-OD1 3.28Å; S906-D908 PolarHBondContact OG-OD2 3.09Å; S906-R909 PolarHBondContact O-N 3.37Å; S906-T910 PolarHBondContact N-O 3.36Å; S906-T910 VanDerWaalsContact N-O 3.11Å |
| 907 | A | 98.3 | Very high | 93.4 | Very high | 23 Ų | 23 | 37 Ų | 37 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113 | A607 D888 K889 I891 R909 | A607-A907 HydrophobicContact CB-CB 4.49Å; A607-A907 WeakPolarHBondContact CB-O 3.37Å; D888-A907 HydrophobicContact CB-CB 4.05Å; D888-A907 WeakPolarHBondContact OD2-CB 3.45Å; K889-A907 HydrophobicContact CB-CB 3.98Å; K889-A907 PolarHBondContact O-N 3.48Å; I891-A907 HydrophobicContact CD1-CB 4.31Å; A907-R909 PolarHBondContact O-N 2.9Å |
| 908 | D | 97.6 | Very high | 91.9 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 4.1 | 175 | 66.4 | 25 | 0 | 0 | 0 | 114.5 | H886 S887 D888 S906 T910 | H886-D908 VanDerWaalsContact CB-OD2 3.26Å; H886-D908 WeakPolarHBondContact CB-OD2 3.39Å; H886-D908 IonicContact CE1-OD2 2.66Å; H886-D908 IonicContact CG-OD2 3.72Å; H886-D908 IonicContact ND1-OD1 3.93Å; H886-D908 IonicContact ND1-OD2 3.2Å; H886-D908 PolarHBondContact ND1-OD2 3.35Å; S887-D908 PolarHBondContact N-OD2 3.06Å; S887-D908 WeakPolarHBondContact OG-CB 3.44Å; D888-D908 HydrophobicContact CB-CB 3.84Å; S906-D908 VanDerWaalsContact CB-CG 3.45Å; S906-D908 VanDerWaalsContact CB-OD1 3.22Å; S906-D908 WeakPolarHBondContact CB-OD1 3.42Å; S906-D908 WeakPolarHBondContact CB-OD2 3.47Å; S906-D908 PolarHBondContact O-N 2.95Å; S906-D908 PolarHBondContact OG-N 3.45Å; S906-D908 VanDerWaalsContact OG-N 3.12Å; S906-D908 PolarHBondContact OG-OD1 3.28Å; S906-D908 PolarHBondContact OG-OD2 3.09Å; D908-T910 VanDerWaalsContact C-N 3.3Å; D908-T910 WeakPolarHBondContact OD1-CA 3.31Å; D908-T910 VanDerWaalsContact OD1-CB 3.25Å; D908-T910 WeakPolarHBondContact OD1-CB 3.11Å; D908-T910 WeakPolarHBondContact OD1-CG2 3.42Å; D908-T910 PolarHBondContact OD1-N 3.26Å; D908-T910 PolarHBondContact OD1-OG1 3.43Å |
| 909 | R | 97.9 | Very high | 92.2 | Very high | 126 Ų | 126 | 36.5 Ų | 36.5 | 48% | 0.475 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 76.7 | 9.9 | 179 | -37.4 | 168.1 | -169.1 | 148.7 | 5.6 | 114.2 | E603 D604 V608 S906 A907 | E603-R909 WeakPolarHBondContact CA-O 3.34Å; D604-R909 PolarHBondContact N-O 3.21Å; D604-R909 VanDerWaalsContact O-CB 3.31Å; D604-R909 WeakPolarHBondContact O-CB 3.43Å; V608-R909 WeakPolarHBondContact CG2-O 3.38Å; S906-R909 PolarHBondContact O-N 3.37Å; A907-R909 PolarHBondContact O-N 2.9Å |
| 910 | T | 97.5 | Very high | 92.4 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 16% | 0.16 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 155.1 | 178 | 73.9 | 0 | 0 | 0 | 0 | 113.6 | L602 H886 S906 D908 | L602-T910 CarbonylContact O-C 3.59Å; L602-T910 VanDerWaalsContact O-CA 3.27Å; L602-T910 WeakPolarHBondContact O-CA 3.46Å; H886-T910 PolarHBondContact CE1-OG1 2.81Å; H886-T910 VanDerWaalsContact CE1-OG1 3.28Å; H886-T910 PolarHBondContact ND1-OG1 3.15Å; S906-T910 PolarHBondContact N-O 3.36Å; S906-T910 VanDerWaalsContact N-O 3.11Å; D908-T910 VanDerWaalsContact C-N 3.3Å; D908-T910 WeakPolarHBondContact OD1-CA 3.31Å; D908-T910 VanDerWaalsContact OD1-CB 3.25Å; D908-T910 WeakPolarHBondContact OD1-CB 3.11Å; D908-T910 WeakPolarHBondContact OD1-CG2 3.42Å; D908-T910 PolarHBondContact OD1-N 3.26Å; D908-T910 PolarHBondContact OD1-OG1 3.43Å |
| 911 | V | 97.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 126.6 | 156.2 | 162.8 | 0 | 0 | 0 | 0 | 108.2 | S601 L602 V608 V611 Y620 V622 L903 S904 | S601-V911 CarbonylContact C-O 3.54Å; S601-V911 WeakPolarHBondContact CA-O 3.27Å; L602-V911 PolarHBondContact N-O 3.29Å; L602-V911 PolarHBondContact O-N 3.03Å; V608-V911 HydrophobicContact CB-CG2 3.91Å; V608-V911 HydrophobicContact CG1-CG2 3.35Å; V611-V911 HydrophobicContact CG1-CB 4.46Å; V611-V911 HydrophobicContact CG1-CG1 3.91Å; V611-V911 HydrophobicContact CG1-CG2 3.6Å; Y620-V911 HydrophobicContact CE2-CG1 4.43Å; V622-V911 HydrophobicContact CG1-CG2 4.01Å; L903-V911 HydrophobicContact CD2-CG1 3.83Å; S904-V911 VanDerWaalsContact O-CA 3.26Å; S904-V911 WeakPolarHBondContact O-CA 3.29Å |
| 912 | T | 96.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 7% | 0.067 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133.9 | -177.7 | -60 | 0 | 0 | 0 | 0 | 110.4 | P598 H600 S601 L903 S904 W914 | P598-T912 HydrophobicContact CB-CG2 3.62Å; H600-T912 CarbonylContact O-C 3.56Å; H600-T912 WeakPolarHBondContact O-CA 3.38Å; S601-T912 PolarHBondContact OG-OG1 3.44Å; L903-T912 WeakPolarHBondContact CA-O 3.48Å; S904-T912 PolarHBondContact N-O 3Å; S904-T912 PolarHBondContact O-N 3.28Å; T912-W914 HydrophobicContact CG2-CD2 3.99Å; T912-W914 VanDerWaalsContact CG2-CE2 3.45Å; T912-W914 HydrophobicContact CG2-CG 4.34Å; T912-W914 HydrophobicContact CG2-CH2 4.4Å; T912-W914 HydrophobicContact CG2-CZ2 3.7Å |
| 913 | L | 96 | Very high | 92.3 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 119.1 | 171.3 | 175.7 | 64.7 | 0 | 0 | 0 | 108.9 | V599 H600 F613 Y634 P635 L903 | V599-L913 PolarHBondContact N-O 3.28Å; H600-L913 HydrophobicContact CB-CB 4.13Å; H600-L913 PolarHBondContact O-N 2.72Å; F613-L913 HydrophobicContact CZ-CD1 4.12Å; Y634-L913 HydrophobicContact CD2-CD1 4.43Å; Y634-L913 HydrophobicContact CD2-CD2 4.01Å; Y634-L913 HydrophobicContact CE2-CD1 3.97Å; Y634-L913 HydrophobicContact CE2-CD2 3.89Å; P635-L913 HydrophobicContact CG-CD2 4.12Å; L903-L913 HydrophobicContact CD2-CB 3.88Å; L903-L913 HydrophobicContact CD2-CD1 3.99Å; L903-L913 HydrophobicContact CG-CD1 4.23Å |
| 914 | W | 94.2 | Very high | 91.9 | Very high | 22 Ų | 22 | 39.9 Ų | 39.9 | 8% | 0.083 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 137.7 | -179.3 | -52.2 | 81.4 | 0 | 0 | 0 | 110 | F596 V597 P598 S901 F902 S904 T912 | F596-W914 HydrophobicContact CB-CB 4.29Å; F596-W914 HydrophobicContact CD1-CB 4.4Å; V597-W914 WeakPolarHBondContact O-CA 3.34Å; P598-W914 HydrophobicContact CB-CD2 4.47Å; P598-W914 HydrophobicContact CB-CE3 4.04Å; P598-W914 HydrophobicContact CB-CH2 4.4Å; P598-W914 HydrophobicContact CB-CZ3 3.99Å; P598-W914 HydrophobicContact CG-CE3 4.47Å; P598-W914 HydrophobicContact CG-CZ3 4.12Å; S901-W914 CarbonylContact C-O 3.47Å; S901-W914 WeakPolarHBondContact CA-O 3.16Å; S901-W914 WeakPolarHBondContact CB-O 3.42Å; F902-W914 HydrophobicContact CD1-CB 4.15Å; F902-W914 HydrophobicContact CD2-CB 4.11Å; F902-W914 AromaticContact CD2-CD1 3.62Å; F902-W914 HydrophobicContact CD2-CG 4.1Å; F902-W914 HydrophobicContact CE1-CB 3.76Å; F902-W914 HydrophobicContact CE1-CG 4.31Å; F902-W914 HydrophobicContact CE2-CB 3.7Å; F902-W914 AromaticContact CE2-CD1 3.14Å; F902-W914 HydrophobicContact CE2-CD2 4.23Å; F902-W914 AromaticContact CE2-CG 3.42Å; F902-W914 HydrophobicContact CE2-CG 3.42Å; F902-W914 VanDerWaalsContact CE2-CG 3.42Å; F902-W914 AromaticContact CE2-NE1 3.78Å; F902-W914 HydrophobicContact CG-CB 4.31Å; F902-W914 HydrophobicContact CZ-CB 3.49Å; F902-W914 VanDerWaalsContact CZ-CB 3.49Å; F902-W914 AromaticContact CZ-CD1 3.78Å; F902-W914 HydrophobicContact CZ-CD2 4.2Å; F902-W914 AromaticContact CZ-CG 3.54Å; F902-W914 HydrophobicContact CZ-CG 3.54Å; F902-W914 PolarHBondContact N-O 2.75Å; F902-W914 PolarHBondContact O-N 2.89Å; S904-W914 PolarHBondContact OG-NE1 3.03Å; T912-W914 HydrophobicContact CG2-CD2 3.99Å; T912-W914 VanDerWaalsContact CG2-CE2 3.45Å; T912-W914 HydrophobicContact CG2-CG 4.34Å; T912-W914 HydrophobicContact CG2-CH2 4.4Å; T912-W914 HydrophobicContact CG2-CZ2 3.7Å |
| 915 | R | 88.9 | Confident | 91.5 | Very high | 94 Ų | 94 | 42.8 Ų | 42.8 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 139.2 | 179.1 | 166 | 173.7 | 168.3 | 130.7 | -0.9 | 110.5 | F596 V597 V599 L638 N917 | F596-R915 CarbonylContact C-O 3.58Å; F596-R915 VanDerWaalsContact CA-O 3.27Å; F596-R915 WeakPolarHBondContact CA-O 3.16Å; F596-R915 VanDerWaalsContact CD1-C 3.44Å; V597-R915 PolarHBondContact N-O 2.93Å; V597-R915 PolarHBondContact O-N 3.38Å; V599-R915 HydrophobicContact CG2-CB 3.65Å; L638-R915 VanDerWaalsContact CD1-NH1 3.27Å; R915-N917 PolarHBondContact O-N 2.62Å |
| 916 | H | 85.4 | Confident | 90.9 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 23% | 0.231 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 129 | 172 | -170.1 | -83.5 | 0 | 0 | 0 | 111.8 | L595 F596 L900 P918 | L595-H916 CarbonylContact O-C 3.56Å; L595-H916 VanDerWaalsContact O-CA 3.29Å; L595-H916 WeakPolarHBondContact O-CA 3.5Å; F596-H916 HydrophobicContact CD1-CB 4.26Å; F596-H916 VanDerWaalsContact CD1-N 3.3Å; F596-H916 HydrophobicContact CE1-CB 3.84Å; F596-H916 AromaticContact CE2-CD2 3.81Å; F596-H916 HydrophobicContact CZ-CB 4.03Å; F596-H916 AromaticContact CZ-CD2 3.83Å; L900-H916 HydrophobicContact CB-CB 4.18Å; L900-H916 HydrophobicContact CD2-CB 3.85Å; L900-H916 VanDerWaalsContact CD2-CD2 3.47Å; L900-H916 WeakPolarHBondContact CD2-CD2 3.49Å; L900-H916 HydrophobicContact CG-CB 3.92Å; L900-H916 WeakPolarHBondContact O-CB 3.38Å; L900-H916 PolarHBondContact O-N 3.45Å; L900-H916 VanDerWaalsContact O-N 3.11Å; H916-P918 WeakPolarHBondContact O-CD 3.33Å |
| 917 | N | 76.8 | Confident | 90.3 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | trans | -99.8 | 103.5 | 173.4 | -168.4 | 34.8 | 0 | 0 | 0 | 107.8 | L595 V597 R915 | L595-N917 PolarHBondContact O-N 3.46Å; V597-N917 HydrophobicContact CG1-CB 4.25Å; V597-N917 HydrophobicContact CG2-CB 4.45Å; R915-N917 PolarHBondContact O-N 2.62Å | ||
| 918 | P | 57.3 | Low | 89.6 | Confident | 162 Ų | 162 | 52.4 Ų | 52.4 | 100% | 1.052 | 26% | 0.262 | S | S | * | . | trans | -74.3 | 0 | -173.3 | 33.3 | -36.8 | 0 | 0 | 0 | 114 | H916 | H916-P918 WeakPolarHBondContact O-CD 3.33Š|
Retrieved 918 of 918 residues in 340.1 ms
(Link to these results)