| 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 | 86.3 | Confident | 89.3 | Confident | 43 Ų | 43 | 70.8 Ų | 70.8 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | 0 | -34.4 | 0 | -79.6 | -49.4 | -67.9 | 0 | 0 | 116 | N3 F4 L6 V32 Y65 T67 W72 | M1-N3 PolarHBondContact O-N 2.91Å; M1-F4 PolarHBondContact O-N 2.89Å; M1-F4 VanDerWaalsContact O-N 3.12Å; M1-F4 HydrophobicContact SD-CD2 4.43Å; M1-L6 HydrophobicContact CE-CD1 4.41Å; M1-L6 HydrophobicContact CE-CD2 4.27Å; M1-V32 HydrophobicContact CE-CG1 4.07Å; M1-V32 HydrophobicContact SD-CG1 4.43Å; M1-Y65 VanDerWaalsContact N-CD1 3.26Å; M1-Y65 HydrophobicContact SD-CD2 4.32Å; M1-T67 HydrophobicContact CG-CG2 4.16Å; M1-W72 HydrophobicContact CE-CD2 3.87Å; M1-W72 HydrophobicContact CE-CE3 3.54Å; M1-W72 HydrophobicContact CE-CG 4.44Å; M1-W72 HydrophobicContact CE-CH2 4.44Å; M1-W72 HydrophobicContact CE-CZ3 3.85Å; M1-W72 HydrophobicContact CG-CB 4.11Å; M1-W72 HydrophobicContact CG-CD2 3.71Å; M1-W72 HydrophobicContact CG-CE3 4.38Å; M1-W72 HydrophobicContact CG-CG 3.57Å; M1-W72 HydrophobicContact SD-CB 3.62Å; M1-W72 HydrophobicContact SD-CD2 3.66Å; M1-W72 HydrophobicContact SD-CE3 3.85Å; M1-W72 HydrophobicContact SD-CG 3.59Å; M1-W72 VanDerWaalsContact SD-CG 3.59Å | |||
| 2 | E | 88.1 | Confident | 88.6 | Confident | 168 Ų | 168 | 76.8 Ų | 76.8 | 79% | 0.785 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.4 | -174.6 | -59.3 | -176.9 | 154.7 | 0 | 0 | 115.5 | F4 K24 | E2-F4 PolarHBondContact O-N 2.79Å; E2-F4 VanDerWaalsContact O-N 3.08Å; E2-K24 VanDerWaalsContact O-CD 3.29Å; E2-K24 WeakPolarHBondContact O-CD 3.26Å; E2-K24 WeakPolarHBondContact O-CE 3.49Å; E2-K24 PolarHBondContact O-NZ 3.42Å |
| 3 | N | 90.2 | Very high | 87.4 | Confident | 80 Ų | 80 | 75 Ų | 75 | 43% | 0.428 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -2.9 | 178 | -69.2 | -33.6 | 0 | 0 | 0 | 115.3 | M1 R23 K24 | M1-N3 PolarHBondContact O-N 2.91Å; N3-R23 CarbonylContact O-C 3.6Å; N3-R23 WeakPolarHBondContact O-CA 3.45Å; N3-K24 PolarHBondContact O-N 2.83Å |
| 4 | F | 92.9 | Very high | 86.1 | Confident | 12 Ų | 12 | 81.1 Ų | 81.1 | 5% | 0.053 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 154.1 | -172.7 | -57.2 | -82.5 | 0 | 0 | 0 | 113.5 | M1 E2 R22 R23 K24 L30 E63 Y65 V74 | M1-F4 PolarHBondContact O-N 2.89Å; M1-F4 VanDerWaalsContact O-N 3.12Å; M1-F4 HydrophobicContact SD-CD2 4.43Å; E2-F4 PolarHBondContact O-N 2.79Å; E2-F4 VanDerWaalsContact O-N 3.08Å; F4-R22 CarbonylContact C-O 3.51Å; F4-R22 WeakPolarHBondContact CA-O 3.43Å; F4-R23 HydrophobicContact CD1-CB 4.05Å; F4-R23 HydrophobicContact CD1-CG 4.37Å; F4-R23 HydrophobicContact CE1-CB 3.84Å; F4-R23 HydrophobicContact CE1-CG 3.92Å; F4-R23 HydrophobicContact CZ-CG 4.48Å; F4-K24 VanDerWaalsContact O-CE 3.28Å; F4-K24 WeakPolarHBondContact O-CE 3.28Å; F4-L30 HydrophobicContact CD1-CD1 4.16Å; F4-L30 HydrophobicContact CE1-CD1 3.58Å; F4-E63 WeakPolarHBondContact CZ-OE2 3.21Å; F4-Y65 AromaticContact CE2-CE2 3.6Å; F4-Y65 HydrophobicContact CE2-CE2 3.6Å; F4-Y65 AromaticContact CE2-CZ 3.92Å; F4-Y65 HydrophobicContact CZ-CE2 4.29Å; F4-V74 HydrophobicContact CE1-CG1 4.01Å; F4-V74 HydrophobicContact CE2-CG2 4.22Å; F4-V74 HydrophobicContact CZ-CG1 4.08Å; F4-V74 HydrophobicContact CZ-CG2 4.1Å |
| 5 | V | 92.4 | Very high | 85.2 | Confident | 48 Ų | 48 | 80.2 Ų | 80.2 | 29% | 0.291 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 115.9 | 164.3 | -177.7 | 0 | 0 | 0 | 0 | 106.8 | Y7 A21 R22 K24 | V5-Y7 HydrophobicContact CB-CE2 4.23Å; V5-Y7 HydrophobicContact CG1-CD1 4.49Å; V5-Y7 HydrophobicContact CG1-CE1 3.86Å; V5-Y7 HydrophobicContact CG1-CE2 4.07Å; V5-Y7 WeakPolarHBondContact O-CE2 3.08Å; V5-A21 CarbonylContact O-C 3.58Å; V5-A21 VanDerWaalsContact O-CA 3.22Å; V5-A21 WeakPolarHBondContact O-CA 3.39Å; V5-R22 PolarHBondContact N-O 2.91Å; V5-R22 PolarHBondContact O-N 3.38Å; V5-K24 HydrophobicContact CG2-CD 4.46Å; V5-K24 HydrophobicContact CG2-CG 3.78Å |
| 6 | L | 93.7 | Very high | 85.2 | Confident | 68 Ų | 68 | 75.6 Ų | 75.6 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 146.6 | 172.2 | -60.8 | 166.9 | 0 | 0 | 0 | 109.3 | M1 Y19 A21 V32 W72 | M1-L6 HydrophobicContact CE-CD1 4.41Å; M1-L6 HydrophobicContact CE-CD2 4.27Å; L6-Y19 HydrophobicContact CD2-CD2 4.42Å; L6-Y19 HydrophobicContact CD2-CG 4.17Å; L6-A21 HydrophobicContact CD2-CB 4.14Å; L6-V32 HydrophobicContact CD2-CB 4.18Å; L6-V32 HydrophobicContact CD2-CG1 4.09Å; L6-W72 HydrophobicContact CD1-CH2 4.11Å; L6-W72 HydrophobicContact CD1-CZ3 3.96Å; L6-W72 HydrophobicContact CD2-CZ3 4.41Å |
| 7 | Y | 92.3 | Very high | 85.5 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 14% | 0.137 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | -134.7 | 175.9 | -59.8 | -78.3 | 0 | 0 | 0 | 108.9 | V5 K20 R22 Y29 G1190 Q1191 | V5-Y7 HydrophobicContact CB-CE2 4.23Å; V5-Y7 HydrophobicContact CG1-CD1 4.49Å; V5-Y7 HydrophobicContact CG1-CE1 3.86Å; V5-Y7 HydrophobicContact CG1-CE2 4.07Å; V5-Y7 WeakPolarHBondContact O-CE2 3.08Å; Y7-K20 WeakPolarHBondContact CB-O 2.85Å; Y7-K20 PolarHBondContact N-O 2.97Å; Y7-R22 HydrophobicContact CE2-CB 3.65Å; Y7-R22 PolarHBondContact OH-NE 3.14Å; Y7-Y29 AromaticContact CD2-CE1 3.82Å; Y7-Y29 HydrophobicContact CD2-CE1 3.82Å; Y7-Y29 AromaticContact CE2-CE1 3.71Å; Y7-Y29 HydrophobicContact CE2-CE1 3.71Å; Y7-G1190 VanDerWaalsContact OH-C 3.26Å; Y7-G1190 WeakPolarHBondContact OH-CA 3.34Å; Y7-G1190 PolarHBondContact OH-O 2.88Å; Y7-Q1191 VanDerWaalsContact CD1-CD 3.49Å; Y7-Q1191 HydrophobicContact CD1-CG 3.95Å; Y7-Q1191 HydrophobicContact CE1-CB 3.88Å; Y7-Q1191 VanDerWaalsContact CE1-CD 3.42Å; Y7-Q1191 HydrophobicContact CE1-CG 3.58Å |
| 8 | D | 89 | Confident | 85.9 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 44% | 0.444 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 137.4 | -178.1 | -32.1 | -60 | 0 | 0 | 0 | 111.9 | I10 K20 | D8-I10 PolarHBondContact O-N 3.32Å; D8-K20 WeakPolarHBondContact O-CB 3.48Å; D8-K20 PolarHBondContact O-N 3.48Å; D8-K20 IonicContact OD2-NZ 2.66Å; D8-K20 PolarHBondContact OD2-NZ 3.29Å |
| 9 | E | 89.4 | Confident | 86.3 | Confident | 103 Ų | 103 | 68.7 Ų | 68.7 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 124 | 161.6 | -174.2 | 172.6 | 132.6 | 0 | 0 | 107.9 | K12 V17 Y19 | E9-K12 WeakPolarHBondContact OE1-CB 3.28Å; E9-K12 WeakPolarHBondContact OE1-CD 3.44Å; E9-V17 HydrophobicContact CG-CG1 3.74Å; E9-Y19 HydrophobicContact CB-CD1 4.42Å; E9-Y19 HydrophobicContact CB-CE1 4.4Å |
| 10 | I | 85.7 | Confident | 86.7 | Confident | 80 Ų | 80 | 67.9 Ų | 67.9 | 41% | 0.41 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -50.3 | -179.6 | -58.4 | 166.6 | 0 | 0 | 0 | 109.3 | D8 I18 K20 L77 | D8-I10 PolarHBondContact O-N 3.32Å; I10-I18 WeakPolarHBondContact CB-O 3.17Å; I10-I18 HydrophobicContact CD1-CG2 4.33Å; I10-I18 PolarHBondContact N-O 3.29Å; I10-K20 HydrophobicContact CD1-CB 3.82Å; I10-K20 HydrophobicContact CG1-CB 3.88Å; I10-L77 HydrophobicContact CD1-CD1 3.43Å; I10-L77 VanDerWaalsContact CD1-CD1 3.43Å |
| 11 | E | 82.1 | Confident | 87.1 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 28% | 0.276 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 149.1 | -171.6 | -177.3 | 165 | -147.8 | 0 | 0 | 109.2 | I18 | E11-I18 HydrophobicContact CB-CB 4.48Å; E11-I18 PolarHBondContact N-O 2.94Å; E11-I18 PolarHBondContact O-N 3.25Å |
| 12 | K | 81.2 | Confident | 87.5 | Confident | 143 Ų | 143 | 65.3 Ų | 65.3 | 62% | 0.622 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 116.3 | 178.8 | 171.6 | 167.8 | -178.7 | 175.3 | 0 | 109.2 | E9 V17 | E9-K12 WeakPolarHBondContact OE1-CB 3.28Å; E9-K12 WeakPolarHBondContact OE1-CD 3.44Å; K12-V17 HydrophobicContact CB-CG1 4.48Å; K12-V17 HydrophobicContact CD-CG2 4.13Å; K12-V17 HydrophobicContact CG-CG2 4.11Å |
| 13 | T | 72.8 | Confident | 87.7 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | trans | -101.5 | 175.1 | 172.7 | 74.4 | 0 | 0 | 0 | 0 | 109.8 | E15 Q16 | T13-E15 PolarHBondContact O-N 3.3Å; T13-E15 PolarHBondContact OG1-N 3.12Å; T13-E15 VanDerWaalsContact OG1-N 3.15Å; T13-Q16 PolarHBondContact N-O 3.38Å; T13-Q16 PolarHBondContact OG1-N 3.07Å; T13-Q16 VanDerWaalsContact OG1-N 3.07Å; T13-Q16 PolarHBondContact OG1-O 3.1Å | ||
| 14 | N | 69.3 | Low | 87.8 | Confident | 161 Ų | 161 | 63.1 Ų | 63.1 | 86% | 0.861 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -64.3 | -20.6 | 170.6 | -69.3 | -7.3 | 0 | 0 | 0 | 112.3 | K39 | N14-K39 WeakPolarHBondContact O-CE 3.37Å; N14-K39 PolarHBondContact O-NZ 3.13Å |
| 15 | E | 72.9 | Confident | 87.6 | Confident | 67 Ų | 67 | 66.8 Ų | 66.8 | 31% | 0.313 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -90 | -50.2 | -178.1 | -65 | 167.1 | -176.8 | 0 | 0 | 111.6 | T13 K39 | T13-E15 PolarHBondContact O-N 3.3Å; T13-E15 PolarHBondContact OG1-N 3.12Å; T13-E15 VanDerWaalsContact OG1-N 3.15Å; E15-K39 WeakPolarHBondContact O-CD 3.46Å; E15-K39 WeakPolarHBondContact O-CE 3.46Å; E15-K39 PolarHBondContact O-NZ 3.03Å |
| 16 | Q | 85.4 | Confident | 87.5 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 3% | 0.033 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 150.7 | -167.5 | 57.6 | -171.3 | -30.7 | 0 | 0 | 113.6 | T13 I18 A33 C34 A35 | T13-Q16 PolarHBondContact N-O 3.38Å; T13-Q16 PolarHBondContact OG1-N 3.07Å; T13-Q16 VanDerWaalsContact OG1-N 3.07Å; T13-Q16 PolarHBondContact OG1-O 3.1Å; Q16-I18 HydrophobicContact CG-CG1 4.42Å; Q16-A33 HydrophobicContact CB-CB 4.38Å; Q16-A33 HydrophobicContact CG-CB 4.42Å; Q16-C34 WeakPolarHBondContact CA-O 3.45Å; Q16-A35 HydrophobicContact CB-CB 4.27Å |
| 17 | V | 90.4 | Very high | 87.2 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.9 | 172.4 | -170.7 | 0 | 0 | 0 | 0 | 109 | E9 K12 Y19 A33 C34 | E9-V17 HydrophobicContact CG-CG1 3.74Å; K12-V17 HydrophobicContact CB-CG1 4.48Å; K12-V17 HydrophobicContact CD-CG2 4.13Å; K12-V17 HydrophobicContact CG-CG2 4.11Å; V17-Y19 HydrophobicContact CB-CE2 3.93Å; V17-Y19 HydrophobicContact CG1-CD2 4.37Å; V17-Y19 HydrophobicContact CG1-CE1 4.12Å; V17-Y19 HydrophobicContact CG1-CE2 3.7Å; V17-A33 CarbonylContact O-C 2.9Å; V17-A33 WeakPolarHBondContact O-CA 3.46Å; V17-C34 PolarHBondContact N-O 3.46Å; V17-C34 PolarHBondContact O-N 3.18Å |
| 18 | I | 91.7 | Very high | 87 | Confident | 10 Ų | 10 | 70 Ų | 70 | 5% | 0.051 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 110.3 | -175.6 | -48.9 | -176 | 0 | 0 | 0 | 109.8 | I10 E11 Q16 A31 A33 F138 | I10-I18 WeakPolarHBondContact CB-O 3.17Å; I10-I18 HydrophobicContact CD1-CG2 4.33Å; I10-I18 PolarHBondContact N-O 3.29Å; E11-I18 HydrophobicContact CB-CB 4.48Å; E11-I18 PolarHBondContact N-O 2.94Å; E11-I18 PolarHBondContact O-N 3.25Å; Q16-I18 HydrophobicContact CG-CG1 4.42Å; I18-A31 HydrophobicContact CG2-CB 4.05Å; I18-A33 HydrophobicContact CG1-CB 4.01Å; I18-F138 HydrophobicContact CD1-CE1 4.47Å; I18-F138 HydrophobicContact CD1-CZ 3.97Å |
| 19 | Y | 94.1 | Very high | 87.2 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 24% | 0.235 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 147.3 | 176.5 | -61 | -83.9 | 0 | 0 | 0 | 111.8 | L6 E9 V17 V32 C34 W72 | L6-Y19 HydrophobicContact CD2-CD2 4.42Å; L6-Y19 HydrophobicContact CD2-CG 4.17Å; E9-Y19 HydrophobicContact CB-CD1 4.42Å; E9-Y19 HydrophobicContact CB-CE1 4.4Å; V17-Y19 HydrophobicContact CB-CE2 3.93Å; V17-Y19 HydrophobicContact CG1-CD2 4.37Å; V17-Y19 HydrophobicContact CG1-CE1 4.12Å; V17-Y19 HydrophobicContact CG1-CE2 3.7Å; Y19-V32 PolarHBondContact N-O 2.87Å; Y19-V32 PolarHBondContact O-N 3.4Å; Y19-C34 HydrophobicContact CD2-CB 4.31Å; Y19-C34 HydrophobicContact CE2-CB 3.91Å; Y19-W72 HydrophobicContact CD2-CZ3 4.4Å; Y19-W72 HydrophobicContact CE2-CZ3 4.45Å |
| 20 | K | 94.8 | Very high | 87.4 | Confident | 52 Ų | 52 | 62.5 Ų | 62.5 | 23% | 0.226 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 125.7 | 164.6 | -176.7 | 172 | 160.8 | -158.4 | 0 | 109.4 | Y7 D8 I10 Y29 L77 | Y7-K20 WeakPolarHBondContact CB-O 2.85Å; Y7-K20 PolarHBondContact N-O 2.97Å; D8-K20 WeakPolarHBondContact O-CB 3.48Å; D8-K20 PolarHBondContact O-N 3.48Å; D8-K20 IonicContact OD2-NZ 2.66Å; D8-K20 PolarHBondContact OD2-NZ 3.29Å; I10-K20 HydrophobicContact CD1-CB 3.82Å; I10-K20 HydrophobicContact CG1-CB 3.88Å; K20-Y29 WeakPolarHBondContact CE-OH 3.46Å; K20-Y29 HydrophobicContact CG-CD1 4.39Å; K20-Y29 HydrophobicContact CG-CE1 4.24Å; K20-L77 HydrophobicContact CG-CD2 4.15Å |
| 21 | A | 94.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V5 L6 Y29 L30 V32 | V5-A21 CarbonylContact O-C 3.58Å; V5-A21 VanDerWaalsContact O-CA 3.22Å; V5-A21 WeakPolarHBondContact O-CA 3.39Å; L6-A21 HydrophobicContact CD2-CB 4.14Å; A21-Y29 CarbonylContact O-C 3.59Å; A21-Y29 WeakPolarHBondContact O-CA 3.41Å; A21-Y29 WeakPolarHBondContact O-CD1 3.28Å; A21-L30 PolarHBondContact N-O 2.85Å; A21-L30 PolarHBondContact O-N 3.33Å; A21-V32 HydrophobicContact CB-CB 3.98Å; A21-V32 HydrophobicContact CB-CG2 3.4Å |
| 22 | R | 95.1 | Very high | 88.4 | Confident | 58 Ų | 58 | 56.3 Ų | 56.3 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.9 | 167.6 | 174.7 | 163.1 | 73.2 | 106.7 | -12.7 | 110.2 | F4 V5 Y7 K24 T26 Y29 S1188 G1190 | F4-R22 CarbonylContact C-O 3.51Å; F4-R22 WeakPolarHBondContact CA-O 3.43Å; V5-R22 PolarHBondContact N-O 2.91Å; V5-R22 PolarHBondContact O-N 3.38Å; Y7-R22 HydrophobicContact CE2-CB 3.65Å; Y7-R22 PolarHBondContact OH-NE 3.14Å; R22-K24 PolarHBondContact O-N 3.08Å; R22-T26 WeakPolarHBondContact CD-O 3.18Å; R22-T26 PolarHBondContact NH1-O 2.9Å; R22-Y29 HydrophobicContact CB-CD1 4.12Å; R22-Y29 HydrophobicContact CB-CE1 4.29Å; R22-S1188 WeakPolarHBondContact CD-OG 3.4Å; R22-S1188 WeakPolarHBondContact CG-OG 3.3Å; R22-G1190 VanDerWaalsContact CZ-O 3.29Å; R22-G1190 PolarHBondContact NE-O 3.38Å; R22-G1190 VanDerWaalsContact NE-O 3.11Å; R22-G1190 PolarHBondContact NH2-O 3.2Å |
| 23 | R | 93.1 | Very high | 88.9 | Confident | 87 Ų | 87 | 49.5 Ų | 49.5 | 33% | 0.328 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 123.2 | 167.4 | -167.8 | -174.2 | -164.2 | 118.3 | 4 | 109.2 | N3 F4 T26 L30 E63 | N3-R23 CarbonylContact O-C 3.6Å; N3-R23 WeakPolarHBondContact O-CA 3.45Å; F4-R23 HydrophobicContact CD1-CB 4.05Å; F4-R23 HydrophobicContact CD1-CG 4.37Å; F4-R23 HydrophobicContact CE1-CB 3.84Å; F4-R23 HydrophobicContact CE1-CG 3.92Å; F4-R23 HydrophobicContact CZ-CG 4.48Å; R23-T26 HydrophobicContact CB-CG2 4.12Å; R23-T26 HydrophobicContact CG-CG2 4.17Å; R23-T26 PolarHBondContact O-N 2.64Å; R23-T26 VanDerWaalsContact O-N 3.12Å; R23-T26 PolarHBondContact O-OG1 3.27Å; R23-L30 HydrophobicContact CB-CD1 4.25Å; R23-E63 IonicContact CZ-OE1 2.63Å; R23-E63 IonicContact NH1-OE1 2.66Å; R23-E63 PolarHBondContact NH1-OE1 3.36Å; R23-E63 IonicContact NH1-OE2 3.85Å; R23-E63 IonicContact NH2-OE1 3.88Å; R23-E63 PolarHBondContact NH2-OE1 3.25Å; R23-E63 IonicContact NH2-OE2 2.67Å |
| 24 | K | 90.4 | Very high | 89.9 | Confident | 114 Ų | 114 | 47.5 Ų | 47.5 | 50% | 0.496 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 149.9 | 176.5 | -70 | 179.4 | -175.6 | 165.3 | 0 | 110.2 | E2 N3 F4 V5 R22 T26 | E2-K24 VanDerWaalsContact O-CD 3.29Å; E2-K24 WeakPolarHBondContact O-CD 3.26Å; E2-K24 WeakPolarHBondContact O-CE 3.49Å; E2-K24 PolarHBondContact O-NZ 3.42Å; N3-K24 PolarHBondContact O-N 2.83Å; F4-K24 VanDerWaalsContact O-CE 3.28Å; F4-K24 WeakPolarHBondContact O-CE 3.28Å; V5-K24 HydrophobicContact CG2-CD 4.46Å; V5-K24 HydrophobicContact CG2-CG 3.78Å; R22-K24 PolarHBondContact O-N 3.08Å; K24-T26 PolarHBondContact O-N 3.08Å; K24-T26 VanDerWaalsContact O-N 3.08Å |
| 25 | G | 88.6 | Confident | 91 | Very high | 89 Ų | 89 | 40 Ų | 40 | 92% | 0.918 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | -17.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 26 | T | 90.9 | Very high | 91.7 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 28% | 0.282 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -108.1 | 166.8 | -175.2 | 80.4 | 0 | 0 | 0 | 0 | 114.3 | R22 R23 K24 K28 | R22-T26 WeakPolarHBondContact CD-O 3.18Å; R22-T26 PolarHBondContact NH1-O 2.9Å; R23-T26 HydrophobicContact CB-CG2 4.12Å; R23-T26 HydrophobicContact CG-CG2 4.17Å; R23-T26 PolarHBondContact O-N 2.64Å; R23-T26 VanDerWaalsContact O-N 3.12Å; R23-T26 PolarHBondContact O-OG1 3.27Å; K24-T26 PolarHBondContact O-N 3.08Å; K24-T26 VanDerWaalsContact O-N 3.08Å; T26-K28 PolarHBondContact OG1-N 3.24Å |
| 27 | I | 87 | Confident | 91.8 | Very high | 87 Ų | 87 | 44.2 Ų | 44.2 | 45% | 0.446 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -106.8 | 55.5 | 153.5 | 58.8 | 155.7 | 0 | 0 | 0 | 112 | S1187 S1188 | I27-S1187 CarbonylContact O-C 3.6Å; I27-S1188 VanDerWaalsContact C-N 3.26Å; I27-S1188 WeakPolarHBondContact CA-OG 3.09Å; I27-S1188 PolarHBondContact O-N 2.94Å |
| 28 | K | 88.4 | Confident | 91.4 | Very high | 86 Ų | 86 | 47.5 Ų | 47.5 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | trans | -116.6 | 137.2 | 163.9 | -168.3 | 178.2 | -178.1 | -173.2 | 0 | 111.8 | T26 L30 Y62 S1187 S1188 | T26-K28 PolarHBondContact OG1-N 3.24Å; K28-L30 HydrophobicContact CD-CD2 4.08Å; K28-L30 HydrophobicContact CG-CD2 4.25Å; K28-Y62 VanDerWaalsContact NZ-CE1 3.29Å; K28-Y62 PolarHBondContact NZ-OH 2.98Å; K28-S1187 CarbonylContact C-O 3.16Å; K28-S1188 PolarHBondContact N-OG 3.13Å; K28-S1188 WeakPolarHBondContact O-CB 3.23Å; K28-S1188 PolarHBondContact O-OG 3.2Å; K28-S1188 VanDerWaalsContact O-OG 3.06Å | ||
| 29 | Y | 93 | Very high | 91 | Very high | 25 Ų | 25 | 48 Ų | 48 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 148.3 | 175.4 | -95.4 | -36.9 | 0 | 0 | 0 | 107.8 | Y7 K20 A21 R22 L77 S1187 S1188 S1189 G1190 | Y7-Y29 AromaticContact CD2-CE1 3.82Å; Y7-Y29 HydrophobicContact CD2-CE1 3.82Å; Y7-Y29 AromaticContact CE2-CE1 3.71Å; Y7-Y29 HydrophobicContact CE2-CE1 3.71Å; K20-Y29 WeakPolarHBondContact CE-OH 3.46Å; K20-Y29 HydrophobicContact CG-CD1 4.39Å; K20-Y29 HydrophobicContact CG-CE1 4.24Å; A21-Y29 CarbonylContact O-C 3.59Å; A21-Y29 WeakPolarHBondContact O-CA 3.41Å; A21-Y29 WeakPolarHBondContact O-CD1 3.28Å; R22-Y29 HydrophobicContact CB-CD1 4.12Å; R22-Y29 HydrophobicContact CB-CE1 4.29Å; Y29-L77 HydrophobicContact CD2-CD2 4.28Å; Y29-L77 HydrophobicContact CG-CD2 4.12Å; Y29-S1187 WeakPolarHBondContact CB-O 3.41Å; Y29-S1187 PolarHBondContact N-O 2.96Å; Y29-S1188 VanDerWaalsContact CD2-CB 3.43Å; Y29-S1188 VanDerWaalsContact N-CB 3.25Å; Y29-S1189 VanDerWaalsContact CE2-N 3.35Å; Y29-S1189 PolarHBondContact OH-O 2.83Å; Y29-G1190 WeakPolarHBondContact OH-CA 3.29Å |
| 30 | L | 94.7 | Very high | 90.6 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.8 | -170.1 | -59.8 | 167.5 | 0 | 0 | 0 | 107.9 | F4 A21 R23 K28 Y62 V74 M75 | F4-L30 HydrophobicContact CD1-CD1 4.16Å; F4-L30 HydrophobicContact CE1-CD1 3.58Å; A21-L30 PolarHBondContact N-O 2.85Å; A21-L30 PolarHBondContact O-N 3.33Å; R23-L30 HydrophobicContact CB-CD1 4.25Å; K28-L30 HydrophobicContact CD-CD2 4.08Å; K28-L30 HydrophobicContact CG-CD2 4.25Å; L30-Y62 HydrophobicContact CD2-CD2 3.55Å; L30-Y62 HydrophobicContact CD2-CE2 3.41Å; L30-Y62 VanDerWaalsContact CD2-CE2 3.41Å; L30-V74 HydrophobicContact CB-CG1 4.2Å; L30-V74 HydrophobicContact CD1-CG1 3.74Å; L30-V74 HydrophobicContact CG-CG1 4.39Å; L30-M75 CarbonylContact C-O 3.57Å; L30-M75 WeakPolarHBondContact CA-O 3.16Å; L30-M75 WeakPolarHBondContact CB-O 3.49Å |
| 31 | A | 94.1 | Very high | 90.2 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 140 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | I18 M75 E76 L77 | I18-A31 HydrophobicContact CG2-CB 4.05Å; A31-M75 HydrophobicContact CB-CB 4.38Å; A31-M75 PolarHBondContact N-O 3.44Å; A31-M75 PolarHBondContact O-N 2.74Å; A31-E76 WeakPolarHBondContact CB-O 3.35Å; A31-L77 HydrophobicContact CB-CD1 4.41Å |
| 32 | V | 94.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 104.5 | 173.6 | 172.9 | 0 | 0 | 0 | 0 | 107.8 | M1 L6 Y19 A21 W72 L73 V74 | M1-V32 HydrophobicContact CE-CG1 4.07Å; M1-V32 HydrophobicContact SD-CG1 4.43Å; L6-V32 HydrophobicContact CD2-CB 4.18Å; L6-V32 HydrophobicContact CD2-CG1 4.09Å; Y19-V32 PolarHBondContact N-O 2.87Å; Y19-V32 PolarHBondContact O-N 3.4Å; A21-V32 HydrophobicContact CB-CB 3.98Å; A21-V32 HydrophobicContact CB-CG2 3.4Å; V32-W72 HydrophobicContact CG1-CE3 3.78Å; V32-W72 HydrophobicContact CG1-CZ3 4.38Å; V32-L73 CarbonylContact C-O 3.54Å; V32-L73 VanDerWaalsContact CA-O 3.31Å; V32-L73 WeakPolarHBondContact CA-O 3.45Å; V32-V74 HydrophobicContact CG2-CB 4.44Å; V32-V74 HydrophobicContact CG2-CG1 4.1Å; V32-V74 HydrophobicContact CG2-CG2 4.17Å |
| 33 | A | 92.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 147.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q16 V17 I18 W72 L73 M75 | Q16-A33 HydrophobicContact CB-CB 4.38Å; Q16-A33 HydrophobicContact CG-CB 4.42Å; V17-A33 CarbonylContact O-C 2.9Å; V17-A33 WeakPolarHBondContact O-CA 3.46Å; I18-A33 HydrophobicContact CG1-CB 4.01Å; A33-W72 CarbonylContact O-C 3.53Å; A33-W72 VanDerWaalsContact O-CA 3.31Å; A33-W72 WeakPolarHBondContact O-CA 3.44Å; A33-L73 HydrophobicContact CB-CB 4.29Å; A33-L73 PolarHBondContact N-O 3.18Å; A33-L73 PolarHBondContact O-N 3.08Å; A33-M75 HydrophobicContact CB-CE 3.92Å |
| 34 | C | 93.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 120.4 | 179 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | Q16 V17 Y19 L71 W72 | Q16-C34 WeakPolarHBondContact CA-O 3.45Å; V17-C34 PolarHBondContact N-O 3.46Å; V17-C34 PolarHBondContact O-N 3.18Å; Y19-C34 HydrophobicContact CD2-CB 4.31Å; Y19-C34 HydrophobicContact CE2-CB 3.91Å; C34-L71 WeakPolarHBondContact CA-O 3.49Å; C34-W72 HydrophobicContact CB-CD2 4.28Å; C34-W72 HydrophobicContact CB-CE3 3.7Å; C34-W72 HydrophobicContact CB-CH2 4.13Å; C34-W72 HydrophobicContact CB-CZ3 3.63Å |
| 35 | A | 91.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q16 I43 H70 L71 | Q16-A35 HydrophobicContact CB-CB 4.27Å; A35-I43 HydrophobicContact CB-CD1 3.87Å; A35-I43 HydrophobicContact CB-CG1 3.85Å; A35-H70 CarbonylContact O-C 3.45Å; A35-H70 VanDerWaalsContact O-CA 3.24Å; A35-H70 WeakPolarHBondContact O-CA 3.47Å; A35-H70 WeakPolarHBondContact O-CB 3.45Å; A35-L71 PolarHBondContact N-O 3.45Å; A35-L71 PolarHBondContact O-N 3.17Å |
| 36 | E | 88.4 | Confident | 89.2 | Confident | 93 Ų | 93 | 30.5 Ų | 30.5 | 44% | 0.435 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 151.4 | 173.5 | -66.8 | 162.5 | -95.7 | 0 | 0 | 111 | H38 K39 | E36-H38 VanDerWaalsContact C-N 3.28Å; E36-H38 PolarHBondContact O-N 2.73Å; E36-H38 IonicContact OE1-CE1 3.06Å; E36-H38 IonicContact OE2-CE1 3.67Å; E36-H38 PolarHBondContact OE2-CE1 3.17Å; E36-H38 VanDerWaalsContact OE2-CE1 3.28Å; E36-H38 IonicContact OE2-ND1 3.72Å; E36-K39 WeakPolarHBondContact O-CB 3.29Å; E36-K39 PolarHBondContact O-N 2.7Å; E36-K39 IonicContact OE1-NZ 3.38Å; E36-K39 PolarHBondContact OE1-NZ 2.82Å |
| 37 | K | 86.5 | Confident | 89.2 | Confident | 69 Ų | 69 | 29 Ų | 29 | 30% | 0.3 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -58.5 | -32.2 | -175.6 | -77.1 | -158.8 | 179.5 | -164.4 | 0 | 115.2 | K39 R40 E66 T67 S68 | K37-K39 PolarHBondContact O-N 3.3Å; K37-R40 VanDerWaalsContact O-CB 3.32Å; K37-R40 WeakPolarHBondContact O-CB 3.48Å; K37-R40 PolarHBondContact O-N 3.04Å; K37-E66 WeakPolarHBondContact CE-OE1 3.38Å; K37-E66 IonicContact NZ-OE1 3.01Å; K37-E66 PolarHBondContact NZ-OE1 3.07Å; K37-T67 WeakPolarHBondContact CE-O 3.43Å; K37-T67 PolarHBondContact NZ-O 3.5Å; K37-S68 WeakPolarHBondContact CE-O 3.31Å |
| 38 | H | 82.4 | Confident | 89.4 | Confident | 94 Ų | 94 | 29 Ų | 29 | 44% | 0.435 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -62 | -11.4 | 177.6 | 71.8 | -103.5 | 0 | 0 | 0 | 113.5 | E36 R40 | E36-H38 VanDerWaalsContact C-N 3.28Å; E36-H38 PolarHBondContact O-N 2.73Å; E36-H38 IonicContact OE1-CE1 3.06Å; E36-H38 IonicContact OE2-CE1 3.67Å; E36-H38 PolarHBondContact OE2-CE1 3.17Å; E36-H38 VanDerWaalsContact OE2-CE1 3.28Å; E36-H38 IonicContact OE2-ND1 3.72Å; H38-R40 VanDerWaalsContact C-N 3.32Å |
| 39 | K | 82.9 | Confident | 89.4 | Confident | 22 Ų | 22 | 25.4 Ų | 25.4 | 10% | 0.096 | 12% | 0.118 | C | C | . | . | G | 310 helix | trans | -92.8 | 13.7 | 174.3 | -61.5 | 163.6 | -179.5 | 155.7 | 0 | 112.6 | N14 E15 E36 K37 P41 V42 I43 | N14-K39 WeakPolarHBondContact O-CE 3.37Å; N14-K39 PolarHBondContact O-NZ 3.13Å; E15-K39 WeakPolarHBondContact O-CD 3.46Å; E15-K39 WeakPolarHBondContact O-CE 3.46Å; E15-K39 PolarHBondContact O-NZ 3.03Å; E36-K39 WeakPolarHBondContact O-CB 3.29Å; E36-K39 PolarHBondContact O-N 2.7Å; E36-K39 IonicContact OE1-NZ 3.38Å; E36-K39 PolarHBondContact OE1-NZ 2.82Å; K37-K39 PolarHBondContact O-N 3.3Å; K39-P41 VanDerWaalsContact C-CD 3.43Å; K39-P41 VanDerWaalsContact C-N 3.3Å; K39-V42 PolarHBondContact O-N 2.68Å; K39-I43 HydrophobicContact CB-CG1 4.36Å; K39-I43 WeakPolarHBondContact O-CG1 3.33Å; K39-I43 PolarHBondContact O-N 2.91Å |
| 40 | R | 86.4 | Confident | 89.3 | Confident | 53 Ų | 53 | 24.3 Ų | 24.3 | 20% | 0.2 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -46.8 | -43.8 | 177.7 | -168.3 | 175.5 | -156.2 | 109.1 | 19.7 | 113 | K37 H38 I43 S44 E66 L71 E159 | K37-R40 VanDerWaalsContact O-CB 3.32Å; K37-R40 WeakPolarHBondContact O-CB 3.48Å; K37-R40 PolarHBondContact O-N 3.04Å; H38-R40 VanDerWaalsContact C-N 3.32Å; R40-I43 PolarHBondContact O-N 3.44Å; R40-S44 WeakPolarHBondContact O-CB 3.41Å; R40-S44 PolarHBondContact O-N 2.8Å; R40-S44 PolarHBondContact O-OG 3.32Å; R40-S44 VanDerWaalsContact O-OG 3.09Å; R40-E66 IonicContact CZ-OE1 2.69Å; R40-E66 IonicContact CZ-OE2 3.97Å; R40-E66 IonicContact NH1-OE1 2.64Å; R40-E66 PolarHBondContact NH1-OE1 3.41Å; R40-E66 IonicContact NH1-OE2 3.03Å; R40-E66 PolarHBondContact NH1-OE2 3.41Å; R40-E66 IonicContact NH2-OE1 3.14Å; R40-E66 IonicContact NH2-OE2 3.96Å; R40-E66 PolarHBondContact NH2-OE2 3.3Å; R40-L71 HydrophobicContact CB-CD1 4.21Å; R40-L71 HydrophobicContact CG-CD1 4.42Å; R40-E159 WeakPolarHBondContact CD-OE1 3.46Å; R40-E159 IonicContact CZ-OE1 3.42Å; R40-E159 VanDerWaalsContact CZ-OE1 3.32Å; R40-E159 IonicContact NE-OE1 3.28Å; R40-E159 PolarHBondContact NE-OE1 3.44Å; R40-E159 IonicContact NH1-OE1 3.72Å; R40-E159 PolarHBondContact NH1-OE1 3.07Å |
| 41 | P | 85.3 | Confident | 88.9 | Confident | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.032 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.2 | -53.6 | 180 | -26.2 | 35.9 | 0 | 0 | 0 | 114.5 | K39 I43 S44 N45 L154 F157 F168 | K39-P41 VanDerWaalsContact C-CD 3.43Å; K39-P41 VanDerWaalsContact C-N 3.3Å; P41-I43 PolarHBondContact O-N 3.46Å; P41-S44 PolarHBondContact O-N 3.47Å; P41-N45 PolarHBondContact O-N 3.45Å; P41-L154 HydrophobicContact CB-CB 4.4Å; P41-L154 HydrophobicContact CB-CD2 3.89Å; P41-L154 WeakPolarHBondContact CB-O 3.49Å; P41-F157 HydrophobicContact CB-CB 3.97Å; P41-F157 HydrophobicContact CG-CB 4.3Å; P41-F168 HydrophobicContact CB-CE1 3.93Å; P41-F168 HydrophobicContact CB-CZ 4.04Å; P41-F168 HydrophobicContact CG-CE1 4.14Å; P41-F168 HydrophobicContact CG-CZ 4.23Å |
| 42 | V | 85.5 | Confident | 88.4 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | -178.8 | 139.4 | 0 | 0 | 0 | 0 | 111.9 | K39 H46 L142 L154 F168 | K39-V42 PolarHBondContact O-N 2.68Å; V42-H46 WeakPolarHBondContact O-CB 3.45Å; V42-H46 PolarHBondContact O-N 3.09Å; V42-H46 VanDerWaalsContact O-N 3.13Å; V42-L142 HydrophobicContact CG2-CD2 4.48Å; V42-L154 HydrophobicContact CG2-CD2 4.41Å; V42-F168 HydrophobicContact CB-CZ 4.46Å; V42-F168 HydrophobicContact CG2-CZ 4Å |
| 43 | I | 88.8 | Confident | 88.2 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.2 | -41 | 178.3 | -61.2 | -62.6 | 0 | 0 | 0 | 111.5 | A35 K39 R40 P41 H46 V47 L71 | A35-I43 HydrophobicContact CB-CD1 3.87Å; A35-I43 HydrophobicContact CB-CG1 3.85Å; K39-I43 HydrophobicContact CB-CG1 4.36Å; K39-I43 WeakPolarHBondContact O-CG1 3.33Å; K39-I43 PolarHBondContact O-N 2.91Å; R40-I43 PolarHBondContact O-N 3.44Å; P41-I43 PolarHBondContact O-N 3.46Å; I43-H46 PolarHBondContact O-N 3Å; I43-V47 HydrophobicContact CG2-CG2 4.44Å; I43-V47 WeakPolarHBondContact O-CG2 3.23Å; I43-V47 PolarHBondContact O-N 2.89Å; I43-L71 HydrophobicContact CB-CD1 4.03Å; I43-L71 HydrophobicContact CG1-CD1 4.4Å; I43-L71 HydrophobicContact CG2-CB 4.29Å; I43-L71 HydrophobicContact CG2-CD1 4.04Å |
| 44 | S | 88.7 | Confident | 88 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -42.5 | 177.5 | -75.3 | 0 | 0 | 0 | 0 | 111.9 | R40 P41 V47 R48 | R40-S44 WeakPolarHBondContact O-CB 3.41Å; R40-S44 PolarHBondContact O-N 2.8Å; R40-S44 PolarHBondContact O-OG 3.32Å; R40-S44 VanDerWaalsContact O-OG 3.09Å; P41-S44 PolarHBondContact O-N 3.47Å; S44-V47 PolarHBondContact O-N 3.39Å; S44-R48 WeakPolarHBondContact O-CB 3.47Å; S44-R48 PolarHBondContact O-N 3.48Å |
| 45 | N | 89.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 174.8 | -169.1 | 42.3 | 0 | 0 | 0 | 112.1 | P41 V47 R48 V49 S141 A143 F157 | P41-N45 PolarHBondContact O-N 3.45Å; N45-V47 VanDerWaalsContact C-N 3.35Å; N45-V47 PolarHBondContact O-N 2.91Å; N45-R48 WeakPolarHBondContact O-CB 3.5Å; N45-R48 PolarHBondContact O-N 3.13Å; N45-R48 PolarHBondContact OD1-NE 3.21Å; N45-R48 PolarHBondContact OD1-NH2 3.24Å; N45-V49 WeakPolarHBondContact O-CG2 3.25Å; N45-V49 PolarHBondContact O-N 3.08Å; N45-S141 PolarHBondContact ND2-O 3.07Å; N45-A143 PolarHBondContact ND2-O 3.04Å; N45-F157 HydrophobicContact CB-CD2 4.48Å; N45-F157 HydrophobicContact CB-CE2 4.13Å |
| 46 | H | 89.5 | Confident | 88 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.8 | -46.6 | 172.9 | -174.8 | 126.9 | 0 | 0 | 0 | 111.7 | V42 I43 S50 D139 F140 | V42-H46 WeakPolarHBondContact O-CB 3.45Å; V42-H46 PolarHBondContact O-N 3.09Å; V42-H46 VanDerWaalsContact O-N 3.13Å; I43-H46 PolarHBondContact O-N 3Å; H46-S50 PolarHBondContact CD2-OG 2.96Å; H46-S50 WeakPolarHBondContact O-CB 3.3Å; H46-S50 PolarHBondContact O-N 3.17Å; H46-S50 PolarHBondContact O-OG 3.4Å; H46-D139 IonicContact ND1-OD1 3.2Å; H46-D139 PolarHBondContact ND1-OD1 3.07Å; H46-F140 PolarHBondContact ND1-N 3.32Å |
| 47 | V | 91 | Very high | 88.2 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 9% | 0.085 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 178.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | I43 S44 N45 V49 S50 H51 F61 W64 L73 | I43-V47 HydrophobicContact CG2-CG2 4.44Å; I43-V47 WeakPolarHBondContact O-CG2 3.23Å; I43-V47 PolarHBondContact O-N 2.89Å; S44-V47 PolarHBondContact O-N 3.39Å; N45-V47 VanDerWaalsContact C-N 3.35Å; N45-V47 PolarHBondContact O-N 2.91Å; V47-V49 PolarHBondContact O-N 3.1Å; V47-S50 PolarHBondContact O-N 3.45Å; V47-H51 VanDerWaalsContact O-CB 3.27Å; V47-H51 WeakPolarHBondContact O-CB 3.42Å; V47-H51 PolarHBondContact O-N 3.29Å; V47-F61 HydrophobicContact CB-CE2 4.48Å; V47-F61 HydrophobicContact CG1-CE2 4.03Å; V47-F61 HydrophobicContact CG1-CZ 4.13Å; V47-F61 HydrophobicContact CG2-CE2 4.07Å; V47-W64 HydrophobicContact CG1-CD2 4.24Å; V47-W64 HydrophobicContact CG1-CG 4.19Å; V47-W64 HydrophobicContact CG2-CB 4.33Å; V47-W64 HydrophobicContact CG2-CD2 4.16Å; V47-W64 HydrophobicContact CG2-CE3 4.25Å; V47-W64 HydrophobicContact CG2-CG 4.21Å; V47-L73 HydrophobicContact CG2-CD1 3.9Å |
| 48 | R | 89.7 | Confident | 88.6 | Confident | 86 Ų | 86 | 42.6 Ų | 42.6 | 33% | 0.325 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -50.5 | -52.9 | 177.1 | -179.7 | -173.5 | 77.4 | 106.8 | -7.5 | 111.7 | S44 N45 E148 | S44-R48 WeakPolarHBondContact O-CB 3.47Å; S44-R48 PolarHBondContact O-N 3.48Å; N45-R48 WeakPolarHBondContact O-CB 3.5Å; N45-R48 PolarHBondContact O-N 3.13Å; N45-R48 PolarHBondContact OD1-NE 3.21Å; N45-R48 PolarHBondContact OD1-NH2 3.24Å; R48-E148 IonicContact CZ-OE1 2.65Å; R48-E148 IonicContact CZ-OE2 3.46Å; R48-E148 VanDerWaalsContact CZ-OE2 3.31Å; R48-E148 IonicContact NH1-OE1 3.4Å; R48-E148 PolarHBondContact NH1-OE1 3.29Å; R48-E148 IonicContact NH1-OE2 3.51Å; R48-E148 PolarHBondContact NH1-OE2 3Å; R48-E148 IonicContact NH2-OE1 2.68Å; R48-E148 IonicContact NH2-OE2 2.76Å; R48-E148 PolarHBondContact NH2-OE2 3.43Å |
| 49 | V | 89.9 | Confident | 89.1 | Confident | 12 Ų | 12 | 38.5 Ų | 38.5 | 7% | 0.073 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.1 | -45.9 | -177.3 | 177.1 | 0 | 0 | 0 | 0 | 111.6 | N45 V47 H51 L53 V117 F140 A143 | N45-V49 WeakPolarHBondContact O-CG2 3.25Å; N45-V49 PolarHBondContact O-N 3.08Å; V47-V49 PolarHBondContact O-N 3.1Å; V49-H51 PolarHBondContact O-N 2.96Å; V49-L53 HydrophobicContact CG1-CD1 3.88Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; V49-V117 HydrophobicContact CG1-CG1 3.99Å; V49-F140 HydrophobicContact CB-CB 4.11Å; V49-F140 HydrophobicContact CG1-CB 4.03Å; V49-F140 HydrophobicContact CG1-CD1 3.63Å; V49-F140 HydrophobicContact CG1-CE1 4.42Å; V49-F140 HydrophobicContact CG1-CG 4.05Å; V49-A143 HydrophobicContact CG1-CB 4.15Å; V49-A143 HydrophobicContact CG2-CB 4.37Å |
| 50 | S | 90.3 | Very high | 89.6 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.014 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.3 | -21.2 | -172.6 | 64.6 | 0 | 0 | 0 | 0 | 115.2 | H46 V47 E52 L53 | H46-S50 PolarHBondContact CD2-OG 2.96Å; H46-S50 WeakPolarHBondContact O-CB 3.3Å; H46-S50 PolarHBondContact O-N 3.17Å; H46-S50 PolarHBondContact O-OG 3.4Å; V47-S50 PolarHBondContact O-N 3.45Å; S50-E52 VanDerWaalsContact C-N 3.3Å; S50-E52 PolarHBondContact O-N 3.41Å; S50-L53 PolarHBondContact O-N 3.01Å |
| 51 | H | 86.8 | Confident | 89.9 | Confident | 116 Ų | 116 | 37.8 Ų | 37.8 | 54% | 0.537 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -37.3 | -177.6 | 180 | -101.9 | 0 | 0 | 0 | 113.6 | V47 V49 F61 | V47-H51 VanDerWaalsContact O-CB 3.27Å; V47-H51 WeakPolarHBondContact O-CB 3.42Å; V47-H51 PolarHBondContact O-N 3.29Å; V49-H51 PolarHBondContact O-N 2.96Å; H51-F61 AromaticContact CD2-CE1 3.77Å |
| 52 | E | 82.2 | Confident | 90.3 | Very high | 126 Ų | 126 | 41.6 Ų | 41.6 | 59% | 0.589 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -13.2 | -177.4 | -56.3 | -161 | 168 | 0 | 0 | 114 | S50 K54 | S50-E52 VanDerWaalsContact C-N 3.3Å; S50-E52 PolarHBondContact O-N 3.41Å; E52-K54 PolarHBondContact O-N 3.38Å |
| 53 | L | 90.2 | Very high | 90.5 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | trans | -83.2 | 111.6 | -174.5 | -59.7 | 176.4 | 0 | 0 | 0 | 111.3 | V49 S50 V58 Y111 V112 R115 F140 | V49-L53 HydrophobicContact CG1-CD1 3.88Å; V49-L53 WeakPolarHBondContact O-CG 3.48Å; S50-L53 PolarHBondContact O-N 3.01Å; L53-V58 HydrophobicContact CB-CG1 4.03Å; L53-Y111 HydrophobicContact CB-CE1 4.09Å; L53-Y111 HydrophobicContact CD2-CD1 4.24Å; L53-Y111 HydrophobicContact CD2-CE1 3.55Å; L53-Y111 HydrophobicContact CG-CE1 4.4Å; L53-V112 HydrophobicContact CD1-CG2 4.39Å; L53-R115 HydrophobicContact CD2-CB 4.33Å; L53-R115 HydrophobicContact CD2-CG 3.96Å; L53-F140 HydrophobicContact CD1-CD1 3.97Å; L53-F140 HydrophobicContact CD1-CE1 3.45Å; L53-F140 VanDerWaalsContact CD1-CE1 3.45Å; L53-F140 HydrophobicContact CD1-CE2 4.34Å; L53-F140 HydrophobicContact CD1-CZ 3.68Å | ||
| 54 | K | 89.7 | Confident | 90.7 | Very high | 142 Ų | 142 | 48 Ų | 48 | 62% | 0.617 | 21% | 0.213 | S | C | * | . | trans | -127 | 85.2 | 179.9 | -64.6 | 172.7 | -174 | 161.4 | 0 | 109.8 | E52 | E52-K54 PolarHBondContact O-N 3.38Š| ||
| 55 | H | 91.4 | Very high | 90.9 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 22% | 0.222 | 22% | 0.218 | C | C | . | . | trans | -141.9 | 149.4 | -177.8 | -179 | -115.4 | 0 | 0 | 0 | 112 | N57 V58 R107 Y111 | H55-N57 PolarHBondContact ND1-N 3.31Å; H55-N57 PolarHBondContact O-N 3.05Å; H55-N57 VanDerWaalsContact O-N 3.17Å; H55-V58 HydrophobicContact CB-CB 4.28Å; H55-V58 HydrophobicContact CB-CG2 4.13Å; H55-V58 PolarHBondContact O-N 2.81Å; H55-V58 VanDerWaalsContact O-O 3.05Å; H55-R107 PolarHBondContact CE1-O 3.09Å; H55-R107 VanDerWaalsContact CE1-O 3.31Å; H55-Y111 HydrophobicContact CB-CD1 3.48Å; H55-Y111 VanDerWaalsContact CB-CD1 3.48Å; H55-Y111 HydrophobicContact CB-CD2 3.97Å; H55-Y111 HydrophobicContact CB-CE1 3.78Å; H55-Y111 HydrophobicContact CB-CE2 4.23Å; H55-Y111 HydrophobicContact CB-CG 3.6Å; H55-Y111 AromaticContact CG-CG 3.67Å | ||
| 56 | K | 92.2 | Very high | 91 | Very high | 130 Ų | 130 | 53.8 Ų | 53.8 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -37.7 | -176.1 | -172.8 | -170.1 | 176.6 | -165.6 | 0 | 112.8 | T134 K136 | K56-T134 HydrophobicContact CD-CG2 4.46Å; K56-T134 HydrophobicContact CG-CG2 4.38Å; K56-K136 WeakPolarHBondContact O-CE 3.5Å |
| 57 | N | 94.2 | Very high | 91.1 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 20.6 | -178.2 | -59.7 | 105 | 0 | 0 | 0 | 113.2 | H55 D104 T134 V135 K136 L137 | H55-N57 PolarHBondContact ND1-N 3.31Å; H55-N57 PolarHBondContact O-N 3.05Å; H55-N57 VanDerWaalsContact O-N 3.17Å; N57-D104 VanDerWaalsContact CB-O 3.26Å; N57-D104 WeakPolarHBondContact CB-O 3.45Å; N57-D104 WeakPolarHBondContact ND2-CB 3.37Å; N57-D104 PolarHBondContact ND2-O 2.97Å; N57-T134 WeakPolarHBondContact ND2-CG2 3.48Å; N57-V135 PolarHBondContact ND2-O 2.97Å; N57-K136 CarbonylContact O-C 3.37Å; N57-K136 WeakPolarHBondContact O-CA 3.46Å; N57-L137 VanDerWaalsContact O-CD1 3.27Å; N57-L137 WeakPolarHBondContact O-CD1 3.33Å; N57-L137 PolarHBondContact O-N 2.93Å |
| 58 | V | 93.8 | Very high | 91 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -123.7 | 141.8 | 170 | 173.8 | 0 | 0 | 0 | 0 | 108.1 | L53 H55 Q60 Y111 V112 F140 | L53-V58 HydrophobicContact CB-CG1 4.03Å; H55-V58 HydrophobicContact CB-CB 4.28Å; H55-V58 HydrophobicContact CB-CG2 4.13Å; H55-V58 PolarHBondContact O-N 2.81Å; H55-V58 VanDerWaalsContact O-O 3.05Å; V58-Q60 PolarHBondContact O-N 2.64Å; V58-Y111 HydrophobicContact CG2-CD1 4.28Å; V58-V112 HydrophobicContact CG2-CG2 4.16Å; V58-F140 HydrophobicContact CG1-CE2 3.74Å; V58-F140 HydrophobicContact CG1-CZ 3.61Å; V58-F140 HydrophobicContact CG2-CZ 4.43Å |
| 59 | L | 93.5 | Very high | 90.9 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 5% | 0.047 | 29% | 0.289 | C | S | . | . | trans | -68.9 | 126.6 | 177.3 | -169.1 | 73.8 | 0 | 0 | 0 | 110.4 | F61 M75 E76 C78 L128 L137 F138 | L59-F61 PolarHBondContact O-N 3.2Å; L59-M75 HydrophobicContact CD2-CB 4.02Å; L59-M75 HydrophobicContact CD2-CG 4.35Å; L59-M75 HydrophobicContact CD2-SD 3.73Å; L59-M75 HydrophobicContact CG-CB 4.49Å; L59-E76 HydrophobicContact CD1-CB 3.94Å; L59-E76 HydrophobicContact CG-CB 4.46Å; L59-C78 HydrophobicContact CD1-CB 4.48Å; L59-C78 VanDerWaalsContact CD1-SG 3.54Å; L59-L128 HydrophobicContact CD1-CD1 4.38Å; L59-L128 HydrophobicContact CD2-CD1 4.15Å; L59-L137 WeakPolarHBondContact CB-O 3.5Å; L59-L137 PolarHBondContact N-O 3.03Å; L59-F138 HydrophobicContact CB-CB 4.43Å; L59-F138 HydrophobicContact CD2-CB 4.3Å; L59-F138 HydrophobicContact CD2-CD2 3.48Å; L59-F138 VanDerWaalsContact CD2-CD2 3.48Å; L59-F138 HydrophobicContact CD2-CE2 4.21Å; L59-F138 HydrophobicContact CD2-CG 4.19Å | ||
| 60 | Q | 93 | Very high | 91.1 | Very high | 42 Ų | 42 | 63.5 Ų | 63.5 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | trans | -76.2 | 113.8 | -177 | -172.8 | 61 | 75.2 | 0 | 0 | 111.8 | V58 Y62 M75 E76 | V58-Q60 PolarHBondContact O-N 2.64Å; Q60-Y62 HydrophobicContact CB-CE1 4.45Å; Q60-Y62 HydrophobicContact CG-CD1 4.18Å; Q60-Y62 HydrophobicContact CG-CE1 3.58Å; Q60-M75 CarbonylContact O-C 3.52Å; Q60-M75 WeakPolarHBondContact O-CA 3.42Å; Q60-E76 HydrophobicContact CB-CB 4.2Å; Q60-E76 PolarHBondContact N-OE2 2.83Å; Q60-E76 PolarHBondContact O-N 3.21Å | ||
| 61 | F | 93.7 | Very high | 91.2 | Very high | 17 Ų | 17 | 63.5 Ų | 63.5 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 146.1 | 161.2 | 174.9 | -84.8 | 0 | 0 | 0 | 110.9 | V47 H51 L59 W64 L73 | V47-F61 HydrophobicContact CB-CE2 4.48Å; V47-F61 HydrophobicContact CG1-CE2 4.03Å; V47-F61 HydrophobicContact CG1-CZ 4.13Å; V47-F61 HydrophobicContact CG2-CE2 4.07Å; H51-F61 AromaticContact CD2-CE1 3.77Å; L59-F61 PolarHBondContact O-N 3.2Å; F61-W64 HydrophobicContact CE2-CB 4.2Å; F61-W64 HydrophobicContact CZ-CB 4.22Å; F61-W64 HydrophobicContact CZ-CG 4.44Å; F61-L73 HydrophobicContact CD2-CD1 3.64Å; F61-L73 HydrophobicContact CE2-CD1 3.46Å; F61-L73 VanDerWaalsContact CE2-CD1 3.46Å |
| 62 | Y | 91.9 | Very high | 91.5 | Very high | 86 Ų | 86 | 59.6 Ų | 59.6 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | -56.1 | 172.2 | -64.6 | -62 | 0 | 0 | 0 | 114.4 | K28 L30 Q60 V74 E76 | K28-Y62 VanDerWaalsContact NZ-CE1 3.29Å; K28-Y62 PolarHBondContact NZ-OH 2.98Å; L30-Y62 HydrophobicContact CD2-CD2 3.55Å; L30-Y62 HydrophobicContact CD2-CE2 3.41Å; L30-Y62 VanDerWaalsContact CD2-CE2 3.41Å; Q60-Y62 HydrophobicContact CB-CE1 4.45Å; Q60-Y62 HydrophobicContact CG-CD1 4.18Å; Q60-Y62 HydrophobicContact CG-CE1 3.58Å; Y62-V74 PolarHBondContact N-O 3.25Å; Y62-E76 HydrophobicContact CE2-CB 4.21Å |
| 63 | E | 91.4 | Very high | 92 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 21% | 0.206 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 157.8 | -172 | -65 | 178.1 | -175.9 | 0 | 0 | 109.3 | F4 R23 Y65 V74 | F4-E63 WeakPolarHBondContact CZ-OE2 3.21Å; R23-E63 IonicContact CZ-OE1 2.63Å; R23-E63 IonicContact NH1-OE1 2.66Å; R23-E63 PolarHBondContact NH1-OE1 3.36Å; R23-E63 IonicContact NH1-OE2 3.85Å; R23-E63 IonicContact NH2-OE1 3.88Å; R23-E63 PolarHBondContact NH2-OE1 3.25Å; R23-E63 IonicContact NH2-OE2 2.67Å; E63-Y65 HydrophobicContact CB-CE2 3.94Å; E63-Y65 WeakPolarHBondContact OE2-CE2 3.29Å; E63-Y65 PolarHBondContact OE2-OH 2.98Å; E63-V74 HydrophobicContact CB-CB 4.09Å; E63-V74 HydrophobicContact CB-CG2 4.13Å; E63-V74 PolarHBondContact N-O 3.05Å; E63-V74 WeakPolarHBondContact O-CA 3.3Å; E63-V74 VanDerWaalsContact O-CB 3.27Å; E63-V74 WeakPolarHBondContact O-CB 3.47Å; E63-V74 PolarHBondContact O-N 3.23Å |
| 64 | W | 93.3 | Very high | 92.2 | Very high | 101 Ų | 101 | 53.6 Ų | 53.6 | 38% | 0.383 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 157.8 | 167.5 | 77 | -58 | 0 | 0 | 0 | 110.4 | V47 F61 L71 W72 L73 | V47-W64 HydrophobicContact CG1-CD2 4.24Å; V47-W64 HydrophobicContact CG1-CG 4.19Å; V47-W64 HydrophobicContact CG2-CB 4.33Å; V47-W64 HydrophobicContact CG2-CD2 4.16Å; V47-W64 HydrophobicContact CG2-CE3 4.25Å; V47-W64 HydrophobicContact CG2-CG 4.21Å; F61-W64 HydrophobicContact CE2-CB 4.2Å; F61-W64 HydrophobicContact CZ-CB 4.22Å; F61-W64 HydrophobicContact CZ-CG 4.44Å; W64-L71 HydrophobicContact CZ3-CD2 4.33Å; W64-W72 CarbonylContact C-O 3.47Å; W64-W72 WeakPolarHBondContact CA-O 3.36Å; W64-W72 WeakPolarHBondContact CB-O 3.41Å; W64-L73 HydrophobicContact CB-CD1 4.39Å |
| 65 | Y | 91.6 | Very high | 92.5 | Very high | 55 Ų | 55 | 47 Ų | 47 | 22% | 0.216 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 134.7 | -178.3 | -62.1 | -96.8 | 0 | 0 | 0 | 110.8 | M1 F4 E63 W72 V74 | M1-Y65 VanDerWaalsContact N-CD1 3.26Å; M1-Y65 HydrophobicContact SD-CD2 4.32Å; F4-Y65 AromaticContact CE2-CE2 3.6Å; F4-Y65 HydrophobicContact CE2-CE2 3.6Å; F4-Y65 AromaticContact CE2-CZ 3.92Å; F4-Y65 HydrophobicContact CZ-CE2 4.29Å; E63-Y65 HydrophobicContact CB-CE2 3.94Å; E63-Y65 WeakPolarHBondContact OE2-CE2 3.29Å; E63-Y65 PolarHBondContact OE2-OH 2.98Å; Y65-W72 PolarHBondContact N-O 2.6Å; Y65-W72 PolarHBondContact O-N 3.18Å; Y65-V74 HydrophobicContact CD2-CG2 4.19Å; Y65-V74 HydrophobicContact CE2-CG2 4.05Å |
| 66 | E | 92.5 | Very high | 92.6 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 146.9 | 163 | -172.5 | 162.2 | 175.9 | 0 | 0 | 110.1 | K37 R40 L71 | K37-E66 WeakPolarHBondContact CE-OE1 3.38Å; K37-E66 IonicContact NZ-OE1 3.01Å; K37-E66 PolarHBondContact NZ-OE1 3.07Å; R40-E66 IonicContact CZ-OE1 2.69Å; R40-E66 IonicContact CZ-OE2 3.97Å; R40-E66 IonicContact NH1-OE1 2.64Å; R40-E66 PolarHBondContact NH1-OE1 3.41Å; R40-E66 IonicContact NH1-OE2 3.03Å; R40-E66 PolarHBondContact NH1-OE2 3.41Å; R40-E66 IonicContact NH2-OE1 3.14Å; R40-E66 IonicContact NH2-OE2 3.96Å; R40-E66 PolarHBondContact NH2-OE2 3.3Å; E66-L71 HydrophobicContact CB-CD2 4.07Å; E66-L71 HydrophobicContact CG-CD2 3.86Å |
| 67 | T | 90.9 | Very high | 92.6 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 28% | 0.276 | 21% | 0.206 | S | C | . | . | trans | -131.4 | -178.4 | 170.6 | 57.5 | 0 | 0 | 0 | 0 | 109 | M1 K37 N69 H70 W72 | M1-T67 HydrophobicContact CG-CG2 4.16Å; K37-T67 WeakPolarHBondContact CE-O 3.43Å; K37-T67 PolarHBondContact NZ-O 3.5Å; T67-N69 VanDerWaalsContact C-N 3.26Å; T67-N69 PolarHBondContact O-N 2.93Å; T67-H70 PolarHBondContact N-O 2.93Å; T67-H70 PolarHBondContact OG1-N 2.95Å; T67-H70 PolarHBondContact OG1-O 3.38Å; T67-W72 VanDerWaalsContact CG2-NE1 3.34Å; T67-W72 PolarHBondContact OG1-NE1 2.88Å | ||
| 68 | S | 88.1 | Confident | 92.6 | Very high | 99 Ų | 99 | 42.9 Ų | 42.9 | 69% | 0.692 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -55.2 | -40.1 | -178.8 | 61 | 0 | 0 | 0 | 0 | 113.2 | K37 | K37-S68 WeakPolarHBondContact CE-O 3.31Š|
| 69 | N | 89.1 | Confident | 92.4 | Very high | 108 Ų | 108 | 47.3 Ų | 47.3 | 58% | 0.578 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -121.1 | -15.1 | -170.9 | -58 | 31.5 | 0 | 0 | 0 | 114 | T67 | T67-N69 VanDerWaalsContact C-N 3.26Å; T67-N69 PolarHBondContact O-N 2.93Å |
| 70 | H | 92.4 | Very high | 92 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 32% | 0.324 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 148.1 | -170.3 | -55.8 | 99.8 | 0 | 0 | 0 | 113.2 | A35 T67 W72 | A35-H70 CarbonylContact O-C 3.45Å; A35-H70 VanDerWaalsContact O-CA 3.24Å; A35-H70 WeakPolarHBondContact O-CA 3.47Å; A35-H70 WeakPolarHBondContact O-CB 3.45Å; T67-H70 PolarHBondContact N-O 2.93Å; T67-H70 PolarHBondContact OG1-N 2.95Å; T67-H70 PolarHBondContact OG1-O 3.38Å; H70-W72 HydrophobicContact CB-CZ2 4.42Å |
| 71 | L | 92.7 | Very high | 91.8 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 138.5 | 163.7 | -59.7 | 175 | 0 | 0 | 0 | 108.9 | C34 A35 R40 I43 W64 E66 | C34-L71 WeakPolarHBondContact CA-O 3.49Å; A35-L71 PolarHBondContact N-O 3.45Å; A35-L71 PolarHBondContact O-N 3.17Å; R40-L71 HydrophobicContact CB-CD1 4.21Å; R40-L71 HydrophobicContact CG-CD1 4.42Å; I43-L71 HydrophobicContact CB-CD1 4.03Å; I43-L71 HydrophobicContact CG1-CD1 4.4Å; I43-L71 HydrophobicContact CG2-CB 4.29Å; I43-L71 HydrophobicContact CG2-CD1 4.04Å; W64-L71 HydrophobicContact CZ3-CD2 4.33Å; E66-L71 HydrophobicContact CB-CD2 4.07Å; E66-L71 HydrophobicContact CG-CD2 3.86Å |
| 72 | W | 93.8 | Very high | 91.7 | Very high | 34 Ų | 34 | 47.2 Ų | 47.2 | 13% | 0.129 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.6 | -176.9 | -58.8 | 81.7 | 0 | 0 | 0 | 111 | M1 L6 Y19 V32 A33 C34 W64 Y65 T67 H70 | M1-W72 HydrophobicContact CE-CD2 3.87Å; M1-W72 HydrophobicContact CE-CE3 3.54Å; M1-W72 HydrophobicContact CE-CG 4.44Å; M1-W72 HydrophobicContact CE-CH2 4.44Å; M1-W72 HydrophobicContact CE-CZ3 3.85Å; M1-W72 HydrophobicContact CG-CB 4.11Å; M1-W72 HydrophobicContact CG-CD2 3.71Å; M1-W72 HydrophobicContact CG-CE3 4.38Å; M1-W72 HydrophobicContact CG-CG 3.57Å; M1-W72 HydrophobicContact SD-CB 3.62Å; M1-W72 HydrophobicContact SD-CD2 3.66Å; M1-W72 HydrophobicContact SD-CE3 3.85Å; M1-W72 HydrophobicContact SD-CG 3.59Å; M1-W72 VanDerWaalsContact SD-CG 3.59Å; L6-W72 HydrophobicContact CD1-CH2 4.11Å; L6-W72 HydrophobicContact CD1-CZ3 3.96Å; L6-W72 HydrophobicContact CD2-CZ3 4.41Å; Y19-W72 HydrophobicContact CD2-CZ3 4.4Å; Y19-W72 HydrophobicContact CE2-CZ3 4.45Å; V32-W72 HydrophobicContact CG1-CE3 3.78Å; V32-W72 HydrophobicContact CG1-CZ3 4.38Å; A33-W72 CarbonylContact O-C 3.53Å; A33-W72 VanDerWaalsContact O-CA 3.31Å; A33-W72 WeakPolarHBondContact O-CA 3.44Å; C34-W72 HydrophobicContact CB-CD2 4.28Å; C34-W72 HydrophobicContact CB-CE3 3.7Å; C34-W72 HydrophobicContact CB-CH2 4.13Å; C34-W72 HydrophobicContact CB-CZ3 3.63Å; W64-W72 CarbonylContact C-O 3.47Å; W64-W72 WeakPolarHBondContact CA-O 3.36Å; W64-W72 WeakPolarHBondContact CB-O 3.41Å; Y65-W72 PolarHBondContact N-O 2.6Å; Y65-W72 PolarHBondContact O-N 3.18Å; T67-W72 VanDerWaalsContact CG2-NE1 3.34Å; T67-W72 PolarHBondContact OG1-NE1 2.88Å; H70-W72 HydrophobicContact CB-CZ2 4.42Å |
| 73 | L | 93.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 116.5 | -171.1 | 179 | 62.9 | 0 | 0 | 0 | 110.3 | V32 A33 V47 F61 W64 M75 | V32-L73 CarbonylContact C-O 3.54Å; V32-L73 VanDerWaalsContact CA-O 3.31Å; V32-L73 WeakPolarHBondContact CA-O 3.45Å; A33-L73 HydrophobicContact CB-CB 4.29Å; A33-L73 PolarHBondContact N-O 3.18Å; A33-L73 PolarHBondContact O-N 3.08Å; V47-L73 HydrophobicContact CG2-CD1 3.9Å; F61-L73 HydrophobicContact CD2-CD1 3.64Å; F61-L73 HydrophobicContact CE2-CD1 3.46Å; F61-L73 VanDerWaalsContact CE2-CD1 3.46Å; W64-L73 HydrophobicContact CB-CD1 4.39Å; L73-M75 HydrophobicContact CD2-CE 3.84Å; L73-M75 HydrophobicContact CD2-SD 3.76Å; L73-M75 HydrophobicContact CG-CE 3.94Å; L73-M75 HydrophobicContact CG-CG 4.04Å; L73-M75 HydrophobicContact CG-SD 3.9Å |
| 74 | V | 94 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 117.8 | -173 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | F4 L30 V32 Y62 E63 Y65 | F4-V74 HydrophobicContact CE1-CG1 4.01Å; F4-V74 HydrophobicContact CE2-CG2 4.22Å; F4-V74 HydrophobicContact CZ-CG1 4.08Å; F4-V74 HydrophobicContact CZ-CG2 4.1Å; L30-V74 HydrophobicContact CB-CG1 4.2Å; L30-V74 HydrophobicContact CD1-CG1 3.74Å; L30-V74 HydrophobicContact CG-CG1 4.39Å; V32-V74 HydrophobicContact CG2-CB 4.44Å; V32-V74 HydrophobicContact CG2-CG1 4.1Å; V32-V74 HydrophobicContact CG2-CG2 4.17Å; Y62-V74 PolarHBondContact N-O 3.25Å; E63-V74 HydrophobicContact CB-CB 4.09Å; E63-V74 HydrophobicContact CB-CG2 4.13Å; E63-V74 PolarHBondContact N-O 3.05Å; E63-V74 WeakPolarHBondContact O-CA 3.3Å; E63-V74 VanDerWaalsContact O-CB 3.27Å; E63-V74 WeakPolarHBondContact O-CB 3.47Å; E63-V74 PolarHBondContact O-N 3.23Å; Y65-V74 HydrophobicContact CD2-CG2 4.19Å; Y65-V74 HydrophobicContact CE2-CG2 4.05Å |
| 75 | M | 94.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 172.8 | -170.2 | -64.4 | 176.2 | -70.5 | 0 | 0 | 112.3 | L30 A31 A33 L59 Q60 L73 F138 | L30-M75 CarbonylContact C-O 3.57Å; L30-M75 WeakPolarHBondContact CA-O 3.16Å; L30-M75 WeakPolarHBondContact CB-O 3.49Å; A31-M75 HydrophobicContact CB-CB 4.38Å; A31-M75 PolarHBondContact N-O 3.44Å; A31-M75 PolarHBondContact O-N 2.74Å; A33-M75 HydrophobicContact CB-CE 3.92Å; L59-M75 HydrophobicContact CD2-CB 4.02Å; L59-M75 HydrophobicContact CD2-CG 4.35Å; L59-M75 HydrophobicContact CD2-SD 3.73Å; L59-M75 HydrophobicContact CG-CB 4.49Å; Q60-M75 CarbonylContact O-C 3.52Å; Q60-M75 WeakPolarHBondContact O-CA 3.42Å; L73-M75 HydrophobicContact CD2-CE 3.84Å; L73-M75 HydrophobicContact CD2-SD 3.76Å; L73-M75 HydrophobicContact CG-CE 3.94Å; L73-M75 HydrophobicContact CG-CG 4.04Å; L73-M75 HydrophobicContact CG-SD 3.9Å; M75-F138 HydrophobicContact CE-CE2 4.04Å; M75-F138 HydrophobicContact SD-CD2 4.39Å; M75-F138 HydrophobicContact SD-CE2 4.04Å |
| 76 | E | 93.8 | Very high | 91.6 | Very high | 47 Ų | 47 | 42.5 Ų | 42.5 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 142.1 | 169 | -175.2 | 179.2 | -172.6 | 0 | 0 | 112.6 | A31 L59 Q60 Y62 C78 K136 | A31-E76 WeakPolarHBondContact CB-O 3.35Å; L59-E76 HydrophobicContact CD1-CB 3.94Å; L59-E76 HydrophobicContact CG-CB 4.46Å; Q60-E76 HydrophobicContact CB-CB 4.2Å; Q60-E76 PolarHBondContact N-OE2 2.83Å; Q60-E76 PolarHBondContact O-N 3.21Å; Y62-E76 HydrophobicContact CE2-CB 4.21Å; E76-C78 PolarHBondContact O-N 2.93Å; E76-K136 IonicContact OE1-NZ 3.85Å; E76-K136 PolarHBondContact OE1-NZ 3.46Å; E76-K136 IonicContact OE2-NZ 2.65Å; E76-K136 PolarHBondContact OE2-NZ 3.03Å |
| 77 | L | 93.9 | Very high | 91.6 | Very high | 33 Ų | 33 | 39 Ų | 39 | 17% | 0.173 | 23% | 0.226 | C | C | . | . | trans | -87.5 | 96.6 | 176.2 | -177.5 | 63.9 | 0 | 0 | 0 | 111 | I10 K20 Y29 A31 T79 | I10-L77 HydrophobicContact CD1-CD1 3.43Å; I10-L77 VanDerWaalsContact CD1-CD1 3.43Å; K20-L77 HydrophobicContact CG-CD2 4.15Å; Y29-L77 HydrophobicContact CD2-CD2 4.28Å; Y29-L77 HydrophobicContact CG-CD2 4.12Å; A31-L77 HydrophobicContact CB-CD1 4.41Å; L77-T79 HydrophobicContact CD2-CG2 4.06Å; L77-T79 HydrophobicContact CG-CG2 3.9Å | ||
| 78 | C | 92.3 | Very high | 91.5 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 11% | 0.108 | 24% | 0.241 | C | C | . | . | trans | -74.9 | 124.9 | 164.7 | -80.6 | 0 | 0 | 0 | 0 | 110.1 | L59 E76 L128 L129 | L59-C78 HydrophobicContact CD1-CB 4.48Å; L59-C78 VanDerWaalsContact CD1-SG 3.54Å; E76-C78 PolarHBondContact O-N 2.93Å; C78-L128 HydrophobicContact CB-CB 3.69Å; C78-L128 HydrophobicContact CB-CD1 4.16Å; C78-L129 VanDerWaalsContact CB-O 3.32Å; C78-L129 WeakPolarHBondContact CB-O 3.19Å | ||
| 79 | T | 90.6 | Very high | 91.5 | Very high | 95 Ų | 95 | 45 Ų | 45 | 58% | 0.583 | 24% | 0.238 | S | C | * | . | trans | -108.6 | -2.1 | -172.9 | 49.9 | 0 | 0 | 0 | 0 | 114.1 | L77 L129 | L77-T79 HydrophobicContact CD2-CG2 4.06Å; L77-T79 HydrophobicContact CG-CG2 3.9Å; T79-L129 PolarHBondContact N-O 3.42Å | ||
| 80 | G | 85.6 | Confident | 91.4 | Very high | 36 Ų | 36 | 44.5 Ų | 44.5 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -92.6 | 9.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L129 | G80-L129 WeakPolarHBondContact CA-O 3.32Å; G80-L129 PolarHBondContact N-O 3.14Å |
| 81 | G | 89.2 | Confident | 91 | Very high | 23 Ų | 23 | 50 Ų | 50 | 24% | 0.237 | 25% | 0.253 | C | S | . | . | trans | 74.2 | -170.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L129 | G81-L129 PolarHBondContact O-N 3.5Š| ||
| 82 | S | 91.2 | Very high | 90.6 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -87.9 | 155.7 | 172.1 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | E84 Q85 V86 F127 | S82-E84 PolarHBondContact O-N 3.19Å; S82-Q85 WeakPolarHBondContact O-CB 3.49Å; S82-Q85 PolarHBondContact O-N 3.08Å; S82-Q85 VanDerWaalsContact O-N 3.1Å; S82-Q85 PolarHBondContact OG-N 3.06Å; S82-V86 PolarHBondContact O-N 3.33Å; S82-V86 VanDerWaalsContact O-N 3.15Å; S82-F127 CarbonylContact C-O 3.57Å; S82-F127 VanDerWaalsContact CA-O 3.32Å; S82-F127 WeakPolarHBondContact CA-O 3.42Å |
| 83 | L | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.6 | -29.3 | 175.3 | -179.1 | 59.9 | 0 | 0 | 0 | 111.3 | V86 I87 L93 F101 I105 P124 F127 L129 L201 M205 | L83-V86 HydrophobicContact CD1-CB 4.47Å; L83-V86 PolarHBondContact O-N 3.18Å; L83-I87 HydrophobicContact CG-CD1 4.2Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.36Å; L83-I87 PolarHBondContact O-N 3.3Å; L83-L93 HydrophobicContact CD1-CD1 4.36Å; L83-F101 HydrophobicContact CD1-CD2 3.82Å; L83-F101 HydrophobicContact CD1-CE2 4.09Å; L83-I105 HydrophobicContact CD2-CD1 4.11Å; L83-P124 WeakPolarHBondContact CB-O 3.48Å; L83-P124 PolarHBondContact N-O 3.26Å; L83-F127 HydrophobicContact CB-CB 3.8Å; L83-F127 HydrophobicContact CD2-CB 4.08Å; L83-F127 HydrophobicContact CD2-CD2 4.21Å; L83-F127 HydrophobicContact CD2-CG 4.25Å; L83-F127 PolarHBondContact N-O 2.88Å; L83-L129 HydrophobicContact CB-CD1 4.26Å; L83-L201 HydrophobicContact CD2-CD1 4.11Å; L83-L201 HydrophobicContact CD2-CD2 4.43Å; L83-M205 HydrophobicContact CD1-CG 4.46Å; L83-M205 HydrophobicContact CD1-SD 4.07Å; L83-M205 HydrophobicContact CD2-CG 4.43Å; L83-M205 HydrophobicContact CD2-SD 4Å |
| 84 | E | 91.5 | Very high | 90.3 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 33% | 0.332 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 170 | -157.5 | -162.8 | -175.6 | 0 | 0 | 112.3 | S82 V86 I87 K88 P124 | S82-E84 PolarHBondContact O-N 3.19Å; E84-V86 VanDerWaalsContact C-N 3.34Å; E84-V86 PolarHBondContact O-N 3.45Å; E84-I87 PolarHBondContact O-N 3.04Å; E84-K88 VanDerWaalsContact CD-CE 3.46Å; E84-K88 HydrophobicContact CG-CD 4.31Å; E84-K88 WeakPolarHBondContact O-CB 3.28Å; E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.49Å; E84-K88 PolarHBondContact O-N 3.42Å; E84-K88 WeakPolarHBondContact OE1-CE 3.45Å; E84-K88 IonicContact OE1-NZ 3.28Å; E84-K88 PolarHBondContact OE1-NZ 3.26Å; E84-K88 IonicContact OE2-NZ 2.76Å; E84-K88 PolarHBondContact OE2-NZ 2.92Å; E84-P124 HydrophobicContact CB-CB 3.76Å; E84-P124 HydrophobicContact CG-CB 3.99Å; E84-P124 PolarHBondContact N-O 3.46Å |
| 85 | Q | 90.1 | Very high | 90.1 | Very high | 89 Ų | 89 | 57.6 Ų | 57.6 | 42% | 0.416 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.9 | -44.5 | 175.1 | -177 | -178.7 | -5.5 | 0 | 0 | 110.9 | S82 I87 K88 E89 | S82-Q85 WeakPolarHBondContact O-CB 3.49Å; S82-Q85 PolarHBondContact O-N 3.08Å; S82-Q85 VanDerWaalsContact O-N 3.1Å; S82-Q85 PolarHBondContact OG-N 3.06Å; Q85-I87 PolarHBondContact O-N 2.82Å; Q85-K88 PolarHBondContact O-N 3.01Å; Q85-E89 HydrophobicContact CG-CG 4.38Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.49Å; Q85-E89 PolarHBondContact NE2-OE1 3.31Å; Q85-E89 WeakPolarHBondContact O-CB 3.47Å; Q85-E89 WeakPolarHBondContact O-CG 3.39Å; Q85-E89 PolarHBondContact O-N 3.16Å |
| 86 | V | 91.8 | Very high | 90 | Very high | 27 Ų | 27 | 59.7 Ų | 59.7 | 16% | 0.164 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 177.9 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | S82 L83 E84 E89 D90 L93 F101 L129 | S82-V86 PolarHBondContact O-N 3.33Å; S82-V86 VanDerWaalsContact O-N 3.15Å; L83-V86 HydrophobicContact CD1-CB 4.47Å; L83-V86 PolarHBondContact O-N 3.18Å; E84-V86 VanDerWaalsContact C-N 3.34Å; E84-V86 PolarHBondContact O-N 3.45Å; V86-E89 PolarHBondContact O-N 2.91Å; V86-D90 WeakPolarHBondContact O-CB 3.21Å; V86-D90 PolarHBondContact O-N 3.49Å; V86-L93 HydrophobicContact CG1-CD1 4.43Å; V86-L93 HydrophobicContact CG1-CD2 4.11Å; V86-F101 HydrophobicContact CG1-CE2 4.31Å; V86-L129 HydrophobicContact CG2-CD1 3.97Å; V86-L129 HydrophobicContact CG2-CD2 4.2Å |
| 87 | I | 91.6 | Very high | 89.9 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 175.4 | -65.4 | 167.2 | 0 | 0 | 0 | 110.9 | L83 E84 Q85 E89 R91 L93 P124 M205 | L83-I87 HydrophobicContact CG-CD1 4.2Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.36Å; L83-I87 PolarHBondContact O-N 3.3Å; E84-I87 PolarHBondContact O-N 3.04Å; Q85-I87 PolarHBondContact O-N 2.82Å; I87-E89 PolarHBondContact O-N 2.94Å; I87-R91 WeakPolarHBondContact O-CA 3.27Å; I87-R91 PolarHBondContact O-N 2.94Å; I87-L93 HydrophobicContact CG1-CD1 4.16Å; I87-P124 HydrophobicContact CD1-CB 4.27Å; I87-M205 HydrophobicContact CD1-CG 3.81Å; I87-M205 HydrophobicContact CG1-CG 4.24Å |
| 88 | K | 88.9 | Confident | 89.8 | Confident | 133 Ų | 133 | 56.2 Ų | 56.2 | 58% | 0.578 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64 | -37 | 176.9 | -74.2 | 169.1 | -179.7 | 167.7 | 0 | 112.8 | E84 Q85 | E84-K88 VanDerWaalsContact CD-CE 3.46Å; E84-K88 HydrophobicContact CG-CD 4.31Å; E84-K88 WeakPolarHBondContact O-CB 3.28Å; E84-K88 VanDerWaalsContact O-CG 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.49Å; E84-K88 PolarHBondContact O-N 3.42Å; E84-K88 WeakPolarHBondContact OE1-CE 3.45Å; E84-K88 IonicContact OE1-NZ 3.28Å; E84-K88 PolarHBondContact OE1-NZ 3.26Å; E84-K88 IonicContact OE2-NZ 2.76Å; E84-K88 PolarHBondContact OE2-NZ 2.92Å; Q85-K88 PolarHBondContact O-N 3.01Å |
| 89 | E | 88.5 | Confident | 89.9 | Confident | 136 Ų | 136 | 56.8 Ų | 56.8 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -79.2 | -52 | -179.1 | -73 | -176.6 | -163.8 | 0 | 0 | 113.1 | Q85 V86 I87 R91 | Q85-E89 HydrophobicContact CG-CG 4.38Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.49Å; Q85-E89 PolarHBondContact NE2-OE1 3.31Å; Q85-E89 WeakPolarHBondContact O-CB 3.47Å; Q85-E89 WeakPolarHBondContact O-CG 3.39Å; Q85-E89 PolarHBondContact O-N 3.16Å; V86-E89 PolarHBondContact O-N 2.91Å; I87-E89 PolarHBondContact O-N 2.94Å; E89-R91 VanDerWaalsContact C-N 3.32Å; E89-R91 PolarHBondContact O-N 2.92Å |
| 90 | D | 87.3 | Confident | 89.9 | Confident | 98 Ų | 98 | 55.6 Ų | 55.6 | 52% | 0.524 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.9 | -19.7 | -179.9 | -87.3 | -16.8 | 0 | 0 | 0 | 112.9 | V86 F92 L93 | V86-D90 WeakPolarHBondContact O-CB 3.21Å; V86-D90 PolarHBondContact O-N 3.49Å; D90-F92 PolarHBondContact O-N 3.33Å; D90-L93 HydrophobicContact CB-CD2 3.54Å; D90-L93 VanDerWaalsContact OD2-CD2 3.32Å; D90-L93 WeakPolarHBondContact OD2-CD2 3.34Å |
| 91 | R | 85.1 | Confident | 90.4 | Very high | 186 Ų | 186 | 54.7 Ų | 54.7 | 70% | 0.702 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 62.4 | -36.1 | -170.8 | -58.3 | -175.5 | 175.8 | -155.7 | -4.3 | 116.3 | I87 E89 G208 | I87-R91 WeakPolarHBondContact O-CA 3.27Å; I87-R91 PolarHBondContact O-N 2.94Å; E89-R91 VanDerWaalsContact C-N 3.32Å; E89-R91 PolarHBondContact O-N 2.92Å; R91-G208 WeakPolarHBondContact O-CA 3.18Å |
| 92 | F | 83.7 | Confident | 90.6 | Very high | 107 Ų | 107 | 53.6 Ų | 53.6 | 47% | 0.469 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -153 | 127.3 | 177.5 | 42.5 | -98.3 | 0 | 0 | 0 | 110.5 | D90 F206 | D90-F92 PolarHBondContact O-N 3.33Å; F92-F206 WeakPolarHBondContact CB-O 3.25Å |
| 93 | L | 89.8 | Confident | 90.7 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | trans | -95.4 | 118.2 | -176.9 | -51.5 | -176.9 | 0 | 0 | 0 | 109.4 | L83 V86 I87 D90 V97 V98 F101 M205 | L83-L93 HydrophobicContact CD1-CD1 4.36Å; V86-L93 HydrophobicContact CG1-CD1 4.43Å; V86-L93 HydrophobicContact CG1-CD2 4.11Å; I87-L93 HydrophobicContact CG1-CD1 4.16Å; D90-L93 HydrophobicContact CB-CD2 3.54Å; D90-L93 VanDerWaalsContact OD2-CD2 3.32Å; D90-L93 WeakPolarHBondContact OD2-CD2 3.34Å; L93-V97 HydrophobicContact CB-CB 3.84Å; L93-V97 HydrophobicContact CB-CG1 3.85Å; L93-V97 HydrophobicContact CB-CG2 4.2Å; L93-V97 HydrophobicContact CD1-CG1 3.97Å; L93-V97 HydrophobicContact CD2-CG1 4.39Å; L93-V97 HydrophobicContact CG-CG1 4.3Å; L93-V98 HydrophobicContact CB-CG2 4.19Å; L93-V98 WeakPolarHBondContact O-CG2 3.29Å; L93-F101 HydrophobicContact CD1-CD2 4.13Å; L93-F101 HydrophobicContact CD1-CE2 4.18Å; L93-M205 WeakPolarHBondContact CA-O 3.48Å; L93-M205 WeakPolarHBondContact CB-O 3.29Å; L93-M205 HydrophobicContact CD1-CB 4.05Å; L93-M205 HydrophobicContact CD1-CG 3.85Å; L93-M205 HydrophobicContact CD1-SD 4.02Å; L93-M205 WeakPolarHBondContact CG-O 3.35Å; L93-M205 PolarHBondContact N-O 2.75Å | ||
| 94 | S | 90.3 | Very high | 90.7 | Very high | 61 Ų | 61 | 53.9 Ų | 53.9 | 43% | 0.427 | 25% | 0.253 | S | S | . | . | trans | -52.4 | 151.7 | 176.2 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | N96 V97 V98 | S94-N96 PolarHBondContact O-N 3.05Å; S94-V97 WeakPolarHBondContact O-CA 3.33Å; S94-V97 WeakPolarHBondContact O-CB 3.43Å; S94-V97 WeakPolarHBondContact O-CG2 3.42Å; S94-V97 PolarHBondContact O-N 3.15Å; S94-V97 VanDerWaalsContact OG-CG2 3.29Å; S94-V97 WeakPolarHBondContact OG-CG2 3.5Å; S94-V98 PolarHBondContact O-N 3.22Å | ||
| 95 | E | 91.2 | Very high | 90.9 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54 | -32 | -175.2 | -162.8 | -178.8 | 124.9 | 0 | 0 | 114 | V97 V98 R99 F206 S241 F244 F270 | E95-V97 VanDerWaalsContact C-N 3.28Å; E95-V97 PolarHBondContact O-N 2.86Å; E95-V98 PolarHBondContact O-N 3.45Å; E95-R99 WeakPolarHBondContact O-CB 3.37Å; E95-R99 PolarHBondContact O-N 3.09Å; E95-R99 IonicContact OE1-CZ 3.56Å; E95-R99 IonicContact OE1-NH2 2.7Å; E95-R99 PolarHBondContact OE1-NH2 3.46Å; E95-F206 HydrophobicContact CB-CE2 4.15Å; E95-S241 WeakPolarHBondContact OE1-CB 3.43Å; E95-S241 PolarHBondContact OE1-OG 3.16Å; E95-S241 WeakPolarHBondContact OE2-CB 3.48Å; E95-S241 PolarHBondContact OE2-N 3.01Å; E95-S241 PolarHBondContact OE2-OG 3.04Å; E95-F244 HydrophobicContact CG-CB 4.15Å; E95-F244 HydrophobicContact CG-CD1 4.44Å; E95-F244 HydrophobicContact CG-CG 4.17Å; E95-F270 HydrophobicContact CG-CE2 3.61Å; E95-F270 HydrophobicContact CG-CZ 4.15Å; E95-F270 WeakPolarHBondContact OE1-CE2 3.29Å |
| 96 | N | 90.6 | Very high | 91.1 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -72.3 | -14.9 | 174.7 | -72.2 | -28.8 | 0 | 0 | 0 | 114.1 | S94 R99 R706 A709 | S94-N96 PolarHBondContact O-N 3.05Å; N96-R99 PolarHBondContact OD1-NH1 3.23Å; N96-R706 VanDerWaalsContact C-NH1 3.33Å; N96-R706 PolarHBondContact O-NH1 3.42Å; N96-A709 PolarHBondContact ND2-O 3.04Å |
| 97 | V | 91.9 | Very high | 91.2 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -78.8 | -54.3 | 164.9 | -173.5 | 0 | 0 | 0 | 0 | 108.8 | L93 S94 E95 R99 K100 F101 R706 | L93-V97 HydrophobicContact CB-CB 3.84Å; L93-V97 HydrophobicContact CB-CG1 3.85Å; L93-V97 HydrophobicContact CB-CG2 4.2Å; L93-V97 HydrophobicContact CD1-CG1 3.97Å; L93-V97 HydrophobicContact CD2-CG1 4.39Å; L93-V97 HydrophobicContact CG-CG1 4.3Å; S94-V97 WeakPolarHBondContact O-CA 3.33Å; S94-V97 WeakPolarHBondContact O-CB 3.43Å; S94-V97 WeakPolarHBondContact O-CG2 3.42Å; S94-V97 PolarHBondContact O-N 3.15Å; S94-V97 VanDerWaalsContact OG-CG2 3.29Å; S94-V97 WeakPolarHBondContact OG-CG2 3.5Å; E95-V97 VanDerWaalsContact C-N 3.28Å; E95-V97 PolarHBondContact O-N 2.86Å; V97-R99 VanDerWaalsContact C-N 3.27Å; V97-R99 PolarHBondContact O-N 3.07Å; V97-K100 WeakPolarHBondContact O-CA 3.47Å; V97-K100 WeakPolarHBondContact O-CB 3.46Å; V97-K100 PolarHBondContact O-N 3.21Å; V97-F101 HydrophobicContact CG1-CD2 3.56Å; V97-F101 HydrophobicContact CG1-CE2 3.45Å; V97-F101 VanDerWaalsContact CG1-CE2 3.45Å; V97-F101 HydrophobicContact CG1-CG 4.19Å; V97-F101 HydrophobicContact CG1-CZ 4.01Å; V97-F101 PolarHBondContact O-N 2.88Å; V97-R706 VanDerWaalsContact CG2-NH2 3.3Å |
| 98 | V | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.5 | -40.3 | -177.1 | -171 | 0 | 0 | 0 | 0 | 111 | L93 S94 E95 K100 G102 F202 M205 F206 F244 | L93-V98 HydrophobicContact CB-CG2 4.19Å; L93-V98 WeakPolarHBondContact O-CG2 3.29Å; S94-V98 PolarHBondContact O-N 3.22Å; E95-V98 PolarHBondContact O-N 3.45Å; V98-K100 VanDerWaalsContact C-N 3.32Å; V98-K100 PolarHBondContact O-N 3.5Å; V98-G102 VanDerWaalsContact O-CA 3.29Å; V98-G102 WeakPolarHBondContact O-CA 3.24Å; V98-G102 PolarHBondContact O-N 2.84Å; V98-F202 HydrophobicContact CG1-CB 4.41Å; V98-F202 HydrophobicContact CG1-CG 4.41Å; V98-M205 HydrophobicContact CG1-CB 4.45Å; V98-M205 HydrophobicContact CG1-CE 4.13Å; V98-M205 HydrophobicContact CG2-CB 4.07Å; V98-F206 HydrophobicContact CG2-CB 4.33Å; V98-F206 HydrophobicContact CG2-CD2 4.46Å; V98-F244 HydrophobicContact CG1-CE2 3.75Å; V98-F244 HydrophobicContact CG1-CZ 3.87Å |
| 99 | R | 93.3 | Very high | 91.5 | Very high | 27 Ų | 27 | 41.2 Ų | 41.2 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.6 | -22.5 | 174.3 | -160.9 | -173.8 | -60.8 | 126.1 | 8.1 | 114.3 | E95 N96 V97 A103 F270 W271 | E95-R99 WeakPolarHBondContact O-CB 3.37Å; E95-R99 PolarHBondContact O-N 3.09Å; E95-R99 IonicContact OE1-CZ 3.56Å; E95-R99 IonicContact OE1-NH2 2.7Å; E95-R99 PolarHBondContact OE1-NH2 3.46Å; N96-R99 PolarHBondContact OD1-NH1 3.23Å; V97-R99 VanDerWaalsContact C-N 3.27Å; V97-R99 PolarHBondContact O-N 3.07Å; R99-A103 WeakPolarHBondContact O-CB 3.49Å; R99-F270 HydrophobicContact CB-CE1 3.78Å; R99-F270 HydrophobicContact CB-CE2 4.33Å; R99-F270 HydrophobicContact CB-CZ 3.61Å; R99-F270 WeakPolarHBondContact CD-O 3.44Å; R99-F270 HydrophobicContact CG-CD1 4.08Å; R99-F270 HydrophobicContact CG-CE1 3.7Å; R99-F270 HydrophobicContact CG-CE2 4.44Å; R99-F270 HydrophobicContact CG-CZ 3.9Å; R99-F270 PolarHBondContact NE-O 3.05Å; R99-W271 HydrophobicContact CG-CE3 3.93Å; R99-W271 HydrophobicContact CG-CZ3 4.27Å |
| 100 | K | 91.8 | Very high | 91.8 | Very high | 71 Ų | 71 | 36.8 Ų | 36.8 | 31% | 0.309 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -82 | -57.6 | 172.7 | -167.9 | -148.3 | 173 | -166.2 | 0 | 110 | V97 V98 G102 A103 D104 G133 | V97-K100 WeakPolarHBondContact O-CA 3.47Å; V97-K100 WeakPolarHBondContact O-CB 3.46Å; V97-K100 PolarHBondContact O-N 3.21Å; V98-K100 VanDerWaalsContact C-N 3.32Å; V98-K100 PolarHBondContact O-N 3.5Å; K100-G102 PolarHBondContact O-N 3.4Å; K100-A103 PolarHBondContact O-N 3.06Å; K100-D104 PolarHBondContact O-N 3.09Å; K100-D104 VanDerWaalsContact O-N 3.07Å; K100-G133 PolarHBondContact NZ-O 3.31Å |
| 101 | F | 94.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 33 Ų | 33 | 7% | 0.07 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | -177.9 | -68.4 | -11.3 | 0 | 0 | 0 | 111.3 | L83 V86 L93 V97 A103 D104 I105 L129 V135 M205 | L83-F101 HydrophobicContact CD1-CD2 3.82Å; L83-F101 HydrophobicContact CD1-CE2 4.09Å; V86-F101 HydrophobicContact CG1-CE2 4.31Å; L93-F101 HydrophobicContact CD1-CD2 4.13Å; L93-F101 HydrophobicContact CD1-CE2 4.18Å; V97-F101 HydrophobicContact CG1-CD2 3.56Å; V97-F101 HydrophobicContact CG1-CE2 3.45Å; V97-F101 VanDerWaalsContact CG1-CE2 3.45Å; V97-F101 HydrophobicContact CG1-CG 4.19Å; V97-F101 HydrophobicContact CG1-CZ 4.01Å; V97-F101 PolarHBondContact O-N 2.88Å; F101-A103 VanDerWaalsContact C-N 3.34Å; F101-A103 PolarHBondContact O-N 3.43Å; F101-D104 WeakPolarHBondContact O-CB 3.46Å; F101-D104 PolarHBondContact O-N 2.94Å; F101-I105 WeakPolarHBondContact O-CB 3.43Å; F101-I105 WeakPolarHBondContact O-CD1 3.22Å; F101-I105 VanDerWaalsContact O-CG1 3.22Å; F101-I105 WeakPolarHBondContact O-CG1 3.49Å; F101-I105 PolarHBondContact O-N 3.48Å; F101-L129 HydrophobicContact CE1-CD2 4.15Å; F101-L129 HydrophobicContact CE2-CD2 4.35Å; F101-L129 HydrophobicContact CZ-CD2 3.75Å; F101-V135 HydrophobicContact CB-CG2 3.82Å; F101-V135 HydrophobicContact CD1-CG2 3.49Å; F101-V135 VanDerWaalsContact CD1-CG2 3.49Å; F101-V135 HydrophobicContact CD2-CG2 4.44Å; F101-V135 HydrophobicContact CE1-CG2 4.13Å; F101-V135 HydrophobicContact CG-CG2 3.68Å; F101-M205 HydrophobicContact CB-SD 4.02Å; F101-M205 HydrophobicContact CD2-SD 4.14Å |
| 102 | G | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.8 | -35 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | V98 K100 I105 V106 F202 | V98-G102 VanDerWaalsContact O-CA 3.29Å; V98-G102 WeakPolarHBondContact O-CA 3.24Å; V98-G102 PolarHBondContact O-N 2.84Å; K100-G102 PolarHBondContact O-N 3.4Å; G102-I105 PolarHBondContact O-N 2.95Å; G102-V106 WeakPolarHBondContact O-CB 3.16Å; G102-V106 WeakPolarHBondContact O-CG2 3.43Å; G102-V106 PolarHBondContact O-N 3Å; G102-F202 VanDerWaalsContact CA-CE1 3.47Å; G102-F202 VanDerWaalsContact CA-CZ 3.46Å |
| 103 | A | 93 | Very high | 92.9 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 2% | 0.017 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -72.2 | -35.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | R99 K100 F101 R107 W271 I275 | R99-A103 WeakPolarHBondContact O-CB 3.49Å; K100-A103 PolarHBondContact O-N 3.06Å; F101-A103 VanDerWaalsContact C-N 3.34Å; F101-A103 PolarHBondContact O-N 3.43Å; A103-R107 WeakPolarHBondContact O-CG 3.49Å; A103-R107 PolarHBondContact O-N 3.21Å; A103-R107 PolarHBondContact O-NH1 2.66Å; A103-R107 VanDerWaalsContact O-NH1 3.17Å; A103-W271 HydrophobicContact CB-CE3 3.92Å; A103-W271 HydrophobicContact CB-CZ3 3.89Å; A103-W271 VanDerWaalsContact N-CZ3 3.34Å; A103-I275 HydrophobicContact CB-CD1 4.15Å; A103-I275 HydrophobicContact CB-CG1 4.06Å |
| 104 | D | 93.9 | Very high | 93 | Very high | 11 Ų | 11 | 23 Ų | 23 | 6% | 0.059 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.3 | -43 | 172.8 | -75.7 | -2.8 | 0 | 0 | 0 | 111.2 | N57 K100 F101 R107 G108 V135 | N57-D104 VanDerWaalsContact CB-O 3.26Å; N57-D104 WeakPolarHBondContact CB-O 3.45Å; N57-D104 WeakPolarHBondContact ND2-CB 3.37Å; N57-D104 PolarHBondContact ND2-O 2.97Å; K100-D104 PolarHBondContact O-N 3.09Å; K100-D104 VanDerWaalsContact O-N 3.07Å; F101-D104 WeakPolarHBondContact O-CB 3.46Å; F101-D104 PolarHBondContact O-N 2.94Å; D104-R107 IonicContact OD1-CZ 3.9Å; D104-R107 IonicContact OD1-NH1 3.3Å; D104-R107 PolarHBondContact OD1-NH1 3.31Å; D104-G108 PolarHBondContact O-N 3.48Å; D104-G108 VanDerWaalsContact O-N 3.08Å; D104-V135 HydrophobicContact CB-CB 4.13Å |
| 105 | I | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.9 | -48.8 | 174.2 | -67.1 | 160.4 | 0 | 0 | 0 | 111.2 | L83 F101 G102 R107 G108 L109 F127 V135 L198 L201 M205 | L83-I105 HydrophobicContact CD2-CD1 4.11Å; F101-I105 WeakPolarHBondContact O-CB 3.43Å; F101-I105 WeakPolarHBondContact O-CD1 3.22Å; F101-I105 VanDerWaalsContact O-CG1 3.22Å; F101-I105 WeakPolarHBondContact O-CG1 3.49Å; F101-I105 PolarHBondContact O-N 3.48Å; G102-I105 PolarHBondContact O-N 2.95Å; I105-R107 VanDerWaalsContact C-N 3.34Å; I105-R107 PolarHBondContact O-N 3.49Å; I105-G108 CarbonylContact O-C 3.52Å; I105-G108 WeakPolarHBondContact O-CA 3.11Å; I105-G108 PolarHBondContact O-N 3.21Å; I105-L109 WeakPolarHBondContact O-CB 3.4Å; I105-L109 PolarHBondContact O-N 3.16Å; I105-F127 HydrophobicContact CB-CE1 4.39Å; I105-F127 HydrophobicContact CD1-CD1 4.28Å; I105-F127 HydrophobicContact CD1-CE1 4.28Å; I105-F127 HydrophobicContact CG1-CD1 3.89Å; I105-F127 HydrophobicContact CG1-CE1 3.86Å; I105-F127 HydrophobicContact CG2-CE1 3.71Å; I105-F127 HydrophobicContact CG2-CZ 4.17Å; I105-V135 HydrophobicContact CD1-CG1 4.25Å; I105-V135 HydrophobicContact CG1-CB 4.32Å; I105-V135 HydrophobicContact CG1-CG1 3.77Å; I105-L198 HydrophobicContact CB-CD1 4.46Å; I105-L198 HydrophobicContact CG2-CD1 3.46Å; I105-L198 VanDerWaalsContact CG2-CD1 3.46Å; I105-L201 HydrophobicContact CD1-CD2 3.87Å; I105-M205 HydrophobicContact CD1-CE 4.13Å |
| 106 | V | 94.5 | Very high | 92.9 | Very high | 7 Ų | 7 | 25.7 Ų | 25.7 | 4% | 0.042 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | -179.9 | 167.7 | 0 | 0 | 0 | 0 | 111.6 | G102 G108 R110 L198 F202 L265 W271 I275 | G102-V106 WeakPolarHBondContact O-CB 3.16Å; G102-V106 WeakPolarHBondContact O-CG2 3.43Å; G102-V106 PolarHBondContact O-N 3Å; V106-G108 VanDerWaalsContact C-N 3.34Å; V106-R110 WeakPolarHBondContact O-CB 3.43Å; V106-R110 PolarHBondContact O-N 3Å; V106-L198 HydrophobicContact CG2-CD2 3.76Å; V106-F202 HydrophobicContact CG2-CZ 4.22Å; V106-L265 HydrophobicContact CG1-CD2 4.49Å; V106-L265 HydrophobicContact CG2-CD2 4.26Å; V106-W271 HydrophobicContact CG2-CH2 4.28Å; V106-W271 HydrophobicContact CG2-CZ2 4.01Å; V106-I275 HydrophobicContact CB-CD1 4.12Å; V106-I275 HydrophobicContact CG1-CD1 3.81Å |
| 107 | R | 93.5 | Very high | 92.9 | Very high | 56 Ų | 56 | 24.3 Ų | 24.3 | 21% | 0.211 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.3 | -37.2 | 172.4 | -72.6 | -171.2 | -130.8 | 87.2 | 0.6 | 112.4 | H55 A103 D104 I105 Y111 R274 I275 D279 | H55-R107 PolarHBondContact CE1-O 3.09Å; H55-R107 VanDerWaalsContact CE1-O 3.31Å; A103-R107 WeakPolarHBondContact O-CG 3.49Å; A103-R107 PolarHBondContact O-N 3.21Å; A103-R107 PolarHBondContact O-NH1 2.66Å; A103-R107 VanDerWaalsContact O-NH1 3.17Å; D104-R107 IonicContact OD1-CZ 3.9Å; D104-R107 IonicContact OD1-NH1 3.3Å; D104-R107 PolarHBondContact OD1-NH1 3.31Å; I105-R107 VanDerWaalsContact C-N 3.34Å; I105-R107 PolarHBondContact O-N 3.49Å; R107-Y111 PolarHBondContact O-N 3.46Å; R107-R274 PolarHBondContact NH2-O 3.28Å; R107-I275 HydrophobicContact CG-CG2 4.15Å; R107-D279 IonicContact NE-OD2 2.71Å |
| 108 | G | 93.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.3 | -51.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | D104 I105 V106 Y111 V112 | D104-G108 PolarHBondContact O-N 3.48Å; D104-G108 VanDerWaalsContact O-N 3.08Å; I105-G108 CarbonylContact O-C 3.52Å; I105-G108 WeakPolarHBondContact O-CA 3.11Å; I105-G108 PolarHBondContact O-N 3.21Å; V106-G108 VanDerWaalsContact C-N 3.34Å; G108-Y111 WeakPolarHBondContact O-CB 3.4Å; G108-Y111 PolarHBondContact O-N 3.28Å; G108-V112 WeakPolarHBondContact O-CG2 3.45Å; G108-V112 PolarHBondContact O-N 3.01Å; G108-V112 VanDerWaalsContact O-N 3.15Å |
| 109 | L | 94.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.5 | -43.1 | 178.7 | -172.1 | 66 | 0 | 0 | 0 | 111.4 | I105 Y111 V112 H113 F119 L122 L137 D194 Y195 | I105-L109 WeakPolarHBondContact O-CB 3.4Å; I105-L109 PolarHBondContact O-N 3.16Å; L109-Y111 VanDerWaalsContact C-N 3.3Å; L109-Y111 PolarHBondContact O-N 3.16Å; L109-V112 PolarHBondContact O-N 3.38Å; L109-V112 VanDerWaalsContact O-N 3.13Å; L109-H113 WeakPolarHBondContact O-CB 3.39Å; L109-H113 PolarHBondContact O-N 3.19Å; L109-F119 HydrophobicContact CD1-CB 3.91Å; L109-L122 HydrophobicContact CD1-CD2 4.34Å; L109-L122 HydrophobicContact CD2-CD1 4.31Å; L109-L137 HydrophobicContact CD1-CD2 4.45Å; L109-D194 HydrophobicContact CD1-CB 4.12Å; L109-D194 HydrophobicContact CD2-CB 4.21Å; L109-Y195 HydrophobicContact CD2-CD1 4.07Å; L109-Y195 HydrophobicContact CD2-CE1 3.97Å |
| 110 | R | 92.9 | Very high | 92.3 | Very high | 42 Ų | 42 | 23.3 Ų | 23.3 | 16% | 0.158 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.2 | -41.7 | 172.6 | 179 | 170.3 | -168.1 | -126.7 | -13.9 | 112.7 | V106 S114 E262 S280 | V106-R110 WeakPolarHBondContact O-CB 3.43Å; V106-R110 PolarHBondContact O-N 3Å; R110-S114 VanDerWaalsContact O-CB 3.26Å; R110-S114 WeakPolarHBondContact O-CB 3.38Å; R110-S114 PolarHBondContact O-N 2.72Å; R110-S114 PolarHBondContact O-OG 3.06Å; R110-E262 WeakPolarHBondContact CD-OE1 3.27Å; R110-E262 WeakPolarHBondContact CG-OE1 3.37Å; R110-E262 IonicContact CZ-OE1 3.27Å; R110-E262 IonicContact NE-OE1 3.64Å; R110-E262 PolarHBondContact NE-OE1 3.29Å; R110-S280 PolarHBondContact NH2-OG 2.75Å; R110-S280 VanDerWaalsContact NH2-OG 3.12Å |
| 111 | Y | 93.6 | Very high | 92 | Very high | 19 Ų | 19 | 21.9 Ų | 21.9 | 8% | 0.075 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 175.9 | 176.6 | -94.4 | 0 | 0 | 0 | 111.6 | L53 H55 V58 R107 G108 L109 S114 R115 | L53-Y111 HydrophobicContact CB-CE1 4.09Å; L53-Y111 HydrophobicContact CD2-CD1 4.24Å; L53-Y111 HydrophobicContact CD2-CE1 3.55Å; L53-Y111 HydrophobicContact CG-CE1 4.4Å; H55-Y111 HydrophobicContact CB-CD1 3.48Å; H55-Y111 VanDerWaalsContact CB-CD1 3.48Å; H55-Y111 HydrophobicContact CB-CD2 3.97Å; H55-Y111 HydrophobicContact CB-CE1 3.78Å; H55-Y111 HydrophobicContact CB-CE2 4.23Å; H55-Y111 HydrophobicContact CB-CG 3.6Å; H55-Y111 AromaticContact CG-CG 3.67Å; V58-Y111 HydrophobicContact CG2-CD1 4.28Å; R107-Y111 PolarHBondContact O-N 3.46Å; G108-Y111 WeakPolarHBondContact O-CB 3.4Å; G108-Y111 PolarHBondContact O-N 3.28Å; L109-Y111 VanDerWaalsContact C-N 3.3Å; L109-Y111 PolarHBondContact O-N 3.16Å; Y111-S114 WeakPolarHBondContact CA-OG 3.46Å; Y111-S114 PolarHBondContact O-N 3.07Å; Y111-S114 PolarHBondContact O-OG 2.77Å; Y111-R115 HydrophobicContact CE1-CG 4.39Å; Y111-R115 PolarHBondContact O-N 2.99Å; Y111-R115 PolarHBondContact OH-NE 3.24Å; Y111-R115 PolarHBondContact OH-NH2 3.37Å |
| 112 | V | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.4 | -49.2 | 177.1 | 178.5 | 0 | 0 | 0 | 0 | 111 | L53 V58 G108 L109 S114 R115 V117 F119 L137 F140 | L53-V112 HydrophobicContact CD1-CG2 4.39Å; V58-V112 HydrophobicContact CG2-CG2 4.16Å; G108-V112 WeakPolarHBondContact O-CG2 3.45Å; G108-V112 PolarHBondContact O-N 3.01Å; G108-V112 VanDerWaalsContact O-N 3.15Å; L109-V112 PolarHBondContact O-N 3.38Å; L109-V112 VanDerWaalsContact O-N 3.13Å; V112-S114 VanDerWaalsContact C-N 3.29Å; V112-S114 PolarHBondContact O-N 3.42Å; V112-R115 WeakPolarHBondContact O-CB 3.29Å; V112-R115 PolarHBondContact O-N 3.05Å; V112-V117 CarbonylContact C-O 3.39Å; V112-V117 HydrophobicContact CG1-CB 3.74Å; V112-V117 HydrophobicContact CG1-CG1 3.62Å; V112-V117 PolarHBondContact O-N 3.36Å; V112-F119 HydrophobicContact CG1-CB 4.38Å; V112-L137 HydrophobicContact CG2-CD2 4.44Å; V112-F140 HydrophobicContact CG1-CE1 4.32Å; V112-F140 HydrophobicContact CG2-CE1 3.91Å; V112-F140 HydrophobicContact CG2-CZ 4.27Å |
| 113 | H | 93.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 22.7 Ų | 22.7 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.5 | -38.3 | 174.4 | -73.5 | -171.5 | 0 | 0 | 0 | 112.7 | L109 R115 G116 V117 K191 Y195 | L109-H113 WeakPolarHBondContact O-CB 3.39Å; L109-H113 PolarHBondContact O-N 3.19Å; H113-R115 PolarHBondContact O-N 2.79Å; H113-G116 PolarHBondContact O-N 3.02Å; H113-G116 VanDerWaalsContact O-N 3.11Å; H113-V117 PolarHBondContact CD2-O 3.14Å; H113-K191 HydrophobicContact CB-CD 3.88Å; H113-K191 HydrophobicContact CB-CG 4.26Å; H113-K191 PolarHBondContact NE2-O 2.99Å; H113-K191 WeakPolarHBondContact O-CE 3.48Å; H113-Y195 AromaticContact CE1-CE1 3.37Å; H113-Y195 WeakPolarHBondContact CE1-CE1 3.44Å; H113-Y195 AromaticContact CE1-CZ 2.95Å; H113-Y195 PolarHBondContact CE1-OH 2.7Å; H113-Y195 AromaticContact ND1-CE1 3.8Å; H113-Y195 AromaticContact ND1-CZ 3.61Å; H113-Y195 PolarHBondContact ND1-OH 3.16Å; H113-Y195 AromaticContact NE2-CD1 3.39Å; H113-Y195 WeakPolarHBondContact NE2-CD1 3.38Å; H113-Y195 AromaticContact NE2-CE1 2.83Å; H113-Y195 WeakPolarHBondContact NE2-CE1 3.45Å; H113-Y195 AromaticContact NE2-CE2 3.82Å; H113-Y195 AromaticContact NE2-CZ 3.06Å; H113-Y195 PolarHBondContact NE2-OH 3Å |
| 114 | S | 91 | Very high | 91.6 | Very high | 82 Ų | 82 | 22.9 Ų | 22.9 | 57% | 0.573 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -10.4 | 176.9 | 74.1 | 0 | 0 | 0 | 0 | 114.4 | R110 Y111 V112 | R110-S114 VanDerWaalsContact O-CB 3.26Å; R110-S114 WeakPolarHBondContact O-CB 3.38Å; R110-S114 PolarHBondContact O-N 2.72Å; R110-S114 PolarHBondContact O-OG 3.06Å; Y111-S114 WeakPolarHBondContact CA-OG 3.46Å; Y111-S114 PolarHBondContact O-N 3.07Å; Y111-S114 PolarHBondContact O-OG 2.77Å; V112-S114 VanDerWaalsContact C-N 3.29Å; V112-S114 PolarHBondContact O-N 3.42Å |
| 115 | R | 91 | Very high | 91.3 | Very high | 121 Ų | 121 | 24.3 Ų | 24.3 | 46% | 0.457 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 8.2 | 171.6 | -67.8 | -67.6 | -167.6 | 150.1 | 2.3 | 113 | L53 Y111 V112 H113 V117 | L53-R115 HydrophobicContact CD2-CB 4.33Å; L53-R115 HydrophobicContact CD2-CG 3.96Å; Y111-R115 HydrophobicContact CE1-CG 4.39Å; Y111-R115 PolarHBondContact O-N 2.99Å; Y111-R115 PolarHBondContact OH-NE 3.24Å; Y111-R115 PolarHBondContact OH-NH2 3.37Å; V112-R115 WeakPolarHBondContact O-CB 3.29Å; V112-R115 PolarHBondContact O-N 3.05Å; H113-R115 PolarHBondContact O-N 2.79Å; R115-V117 VanDerWaalsContact C-N 3.26Å; R115-V117 HydrophobicContact CB-CG2 4.44Å; R115-V117 PolarHBondContact O-N 3Å |
| 116 | G | 89.3 | Confident | 91.1 | Very high | 25 Ų | 25 | 24.9 Ų | 24.9 | 26% | 0.258 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 11.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H113 A145 E146 | H113-G116 PolarHBondContact O-N 3.02Å; H113-G116 VanDerWaalsContact O-N 3.11Å; G116-A145 CarbonylContact O-C 3.58Å; G116-A145 VanDerWaalsContact O-CA 3.27Å; G116-A145 WeakPolarHBondContact O-CA 3.43Å; G116-E146 PolarHBondContact O-N 3.49Å |
| 117 | V | 91 | Very high | 91 | Very high | 19 Ų | 19 | 24.5 Ų | 24.5 | 12% | 0.115 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 130.3 | -177.3 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | V49 V112 H113 R115 A143 H144 | V49-V117 HydrophobicContact CG1-CG1 3.99Å; V112-V117 CarbonylContact C-O 3.39Å; V112-V117 HydrophobicContact CG1-CB 3.74Å; V112-V117 HydrophobicContact CG1-CG1 3.62Å; V112-V117 PolarHBondContact O-N 3.36Å; H113-V117 PolarHBondContact CD2-O 3.14Å; R115-V117 VanDerWaalsContact C-N 3.26Å; R115-V117 HydrophobicContact CB-CG2 4.44Å; R115-V117 PolarHBondContact O-N 3Å; V117-A143 HydrophobicContact CG1-CB 4.03Å; V117-H144 CarbonylContact C-O 3.52Å; V117-H144 WeakPolarHBondContact CA-O 3.46Å |
| 118 | V | 91.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 128.8 | 162.6 | -175.3 | 0 | 0 | 0 | 0 | 107.1 | N120 A143 H144 E146 D194 | V118-N120 HydrophobicContact CG1-CB 4.36Å; V118-A143 WeakPolarHBondContact O-CA 3.36Å; V118-A143 WeakPolarHBondContact O-CB 3.38Å; V118-H144 PolarHBondContact N-O 3.11Å; V118-H144 PolarHBondContact O-N 3.09Å; V118-E146 HydrophobicContact CG2-CG 3.71Å; V118-D194 WeakPolarHBondContact CG1-OD2 3.17Å |
| 119 | F | 90.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -73.3 | -39 | -177.5 | -178.4 | -87.2 | 0 | 0 | 0 | 111.5 | L109 V112 L122 R126 L137 F138 F140 A143 D194 | L109-F119 HydrophobicContact CD1-CB 3.91Å; V112-F119 HydrophobicContact CG1-CB 4.38Å; F119-L122 HydrophobicContact CB-CD2 4.32Å; F119-L122 HydrophobicContact CD1-CD2 3.23Å; F119-L122 HydrophobicContact CD1-CG 4.17Å; F119-L122 HydrophobicContact CE1-CD2 3.7Å; F119-L122 HydrophobicContact CG-CD2 3.9Å; F119-R126 HydrophobicContact CE1-CB 4.42Å; F119-R126 HydrophobicContact CZ-CB 4.33Å; F119-L137 HydrophobicContact CD2-CD2 3.71Å; F119-L137 HydrophobicContact CE2-CB 4.06Å; F119-L137 HydrophobicContact CE2-CD2 3.92Å; F119-L137 HydrophobicContact CE2-CG 4.42Å; F119-L137 HydrophobicContact CG-CD2 4.21Å; F119-F138 WeakPolarHBondContact CZ-O 3.43Å; F119-F140 AromaticContact CD2-CD1 3.87Å; F119-F140 HydrophobicContact CD2-CD1 3.87Å; F119-F140 AromaticContact CD2-CE1 3.56Å; F119-F140 HydrophobicContact CD2-CE1 3.56Å; F119-F140 HydrophobicContact CD2-CZ 4.23Å; F119-F140 AromaticContact CE2-CD1 3.82Å; F119-F140 HydrophobicContact CE2-CD1 3.82Å; F119-F140 AromaticContact CE2-CE1 3.63Å; F119-F140 HydrophobicContact CE2-CE1 3.63Å; F119-F140 HydrophobicContact CE2-CE2 4.42Å; F119-F140 HydrophobicContact CE2-CG 4.32Å; F119-F140 AromaticContact CE2-CZ 3.93Å; F119-F140 HydrophobicContact CE2-CZ 3.93Å; F119-A143 WeakPolarHBondContact O-CA 3.41Å; F119-A143 WeakPolarHBondContact O-CB 3.24Å; F119-D194 WeakPolarHBondContact CA-OD2 3.31Å; F119-D194 WeakPolarHBondContact CB-OD2 3.49Å; F119-D194 PolarHBondContact N-OD2 3.31Å | ||
| 120 | N | 83.4 | Confident | 90.9 | Very high | 13 Ų | 13 | 24.2 Ų | 24.2 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | trans | 66.6 | 119.7 | 172.8 | -169.4 | 22.3 | 0 | 0 | 0 | 114.5 | V118 R126 L142 L150 N189 D194 | V118-N120 HydrophobicContact CG1-CB 4.36Å; N120-R126 PolarHBondContact O-NH1 3.01Å; N120-L142 WeakPolarHBondContact CB-O 3.26Å; N120-L142 PolarHBondContact ND2-O 3.49Å; N120-L150 WeakPolarHBondContact ND2-CD2 3.14Å; N120-N189 PolarHBondContact OD1-ND2 3.33Å; N120-D194 PolarHBondContact N-OD1 3.45Å; N120-D194 PolarHBondContact N-OD2 3.14Å | ||
| 121 | R | 84.3 | Confident | 90.4 | Very high | 41 Ų | 41 | 25 Ų | 25 | 16% | 0.155 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 58.3 | 79.8 | -179.2 | -178.4 | 175.9 | -74.2 | 162.5 | -7 | 112.9 | L123 R126 L172 V174 D179 | R121-L123 HydrophobicContact CG-CD1 4.14Å; R121-L123 HydrophobicContact CG-CD2 4.17Å; R121-L123 HydrophobicContact CG-CG 3.97Å; R121-L123 PolarHBondContact O-N 3.2Å; R121-R126 WeakPolarHBondContact O-CD 3.34Å; R121-R126 PolarHBondContact O-NH1 3.23Å; R121-L172 PolarHBondContact NH1-O 2.99Å; R121-V174 PolarHBondContact NH2-O 3.09Å; R121-D179 WeakPolarHBondContact CG-OD1 3.28Å; R121-D179 IonicContact CZ-OD1 3.02Å; R121-D179 IonicContact CZ-OD2 3.32Å; R121-D179 IonicContact NE-OD1 3.36Å; R121-D179 PolarHBondContact NE-OD1 3.04Å; R121-D179 IonicContact NE-OD2 2.7Å; R121-D179 PolarHBondContact NE-OD2 3.05Å; R121-D179 IonicContact NH2-OD1 2.66Å; R121-D179 IonicContact NH2-OD2 3.93Å; R121-D179 PolarHBondContact NH2-OD2 2.54Å |
| 122 | L | 91.3 | Very high | 90 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | trans | -76.6 | 105.5 | 174.5 | -62.9 | 172 | 0 | 0 | 0 | 111.8 | L109 F119 F127 Y178 D194 L198 | L109-L122 HydrophobicContact CD1-CD2 4.34Å; L109-L122 HydrophobicContact CD2-CD1 4.31Å; F119-L122 HydrophobicContact CB-CD2 4.32Å; F119-L122 HydrophobicContact CD1-CD2 3.23Å; F119-L122 HydrophobicContact CD1-CG 4.17Å; F119-L122 HydrophobicContact CE1-CD2 3.7Å; F119-L122 HydrophobicContact CG-CD2 3.9Å; L122-F127 HydrophobicContact CB-CE2 4.44Å; L122-F127 HydrophobicContact CB-CZ 4.24Å; L122-F127 HydrophobicContact CD2-CZ 3.82Å; L122-Y178 WeakPolarHBondContact O-CB 3.15Å; L122-D194 HydrophobicContact CD1-CB 4.11Å; L122-D194 WeakPolarHBondContact CD1-O 3.22Å; L122-L198 HydrophobicContact CD1-CB 4.2Å | ||
| 123 | L | 90.3 | Very high | 89.5 | Confident | 32 Ų | 32 | 31.5 Ų | 31.5 | 17% | 0.168 | 19% | 0.191 | C | C | . | . | trans | -109.7 | 149.1 | 178.4 | -59.9 | 172.6 | 0 | 0 | 0 | 111.5 | R121 S125 R126 F127 S176 Y178 | R121-L123 HydrophobicContact CG-CD1 4.14Å; R121-L123 HydrophobicContact CG-CD2 4.17Å; R121-L123 HydrophobicContact CG-CG 3.97Å; R121-L123 PolarHBondContact O-N 3.2Å; L123-S125 PolarHBondContact O-N 3.41Å; L123-S125 VanDerWaalsContact O-N 3.08Å; L123-R126 HydrophobicContact CB-CG 4.21Å; L123-R126 WeakPolarHBondContact O-CB 3.35Å; L123-R126 PolarHBondContact O-N 2.84Å; L123-F127 WeakPolarHBondContact O-CD2 3.24Å; L123-F127 WeakPolarHBondContact O-CE2 3.34Å; L123-S176 WeakPolarHBondContact CD2-OG 3.39Å; L123-Y178 HydrophobicContact CD2-CD2 3.58Å; L123-Y178 HydrophobicContact CD2-CE2 4.31Å; L123-Y178 HydrophobicContact CD2-CG 4.07Å | ||
| 124 | P | 91.3 | Very high | 89.5 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -57 | -24.9 | 175.6 | -23.7 | 32.3 | 0 | 0 | 0 | 114.7 | L83 E84 I87 Y178 L201 | L83-P124 WeakPolarHBondContact CB-O 3.48Å; L83-P124 PolarHBondContact N-O 3.26Å; E84-P124 HydrophobicContact CB-CB 3.76Å; E84-P124 HydrophobicContact CG-CB 3.99Å; E84-P124 PolarHBondContact N-O 3.46Å; I87-P124 HydrophobicContact CD1-CB 4.27Å; P124-Y178 HydrophobicContact CG-CE1 3.89Å; P124-Y178 HydrophobicContact CG-CE2 4.44Å; P124-Y178 WeakPolarHBondContact CG-OH 3.15Å; P124-L201 HydrophobicContact CB-CD1 4.08Å; P124-L201 HydrophobicContact CG-CD1 3.76Å |
| 125 | S | 88.1 | Confident | 89.7 | Confident | 42 Ų | 42 | 27.9 Ų | 27.9 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -71.8 | -28.5 | 174.1 | 49.3 | 0 | 0 | 0 | 0 | 113.2 | L123 F127 | L123-S125 PolarHBondContact O-N 3.41Å; L123-S125 VanDerWaalsContact O-N 3.08Å; S125-F127 PolarHBondContact O-N 3.22Å |
| 126 | R | 90.5 | Very high | 89.8 | Confident | 11 Ų | 11 | 22.8 Ų | 22.8 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -79.3 | 12 | -179.8 | -67.9 | -170.8 | 162.2 | 177.7 | -15.5 | 114.3 | F119 N120 R121 L123 F138 D139 S141 | F119-R126 HydrophobicContact CE1-CB 4.42Å; F119-R126 HydrophobicContact CZ-CB 4.33Å; N120-R126 PolarHBondContact O-NH1 3.01Å; R121-R126 WeakPolarHBondContact O-CD 3.34Å; R121-R126 PolarHBondContact O-NH1 3.23Å; L123-R126 HydrophobicContact CB-CG 4.21Å; L123-R126 WeakPolarHBondContact O-CB 3.35Å; L123-R126 PolarHBondContact O-N 2.84Å; R126-F138 WeakPolarHBondContact CB-O 3.4Å; R126-F138 PolarHBondContact O-N 3.43Å; R126-F138 VanDerWaalsContact O-O 3.12Å; R126-D139 HydrophobicContact CG-CB 4.12Å; R126-D139 IonicContact CZ-OD2 2.64Å; R126-D139 IonicContact NE-OD2 3.01Å; R126-D139 PolarHBondContact NE-OD2 3.48Å; R126-D139 IonicContact NH2-OD2 3.2Å; R126-D139 PolarHBondContact NH2-OD2 3.12Å; R126-S141 PolarHBondContact NH2-OG 2.89Å |
| 127 | F | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.1 | 174.7 | -57.6 | -83.7 | 0 | 0 | 0 | 110.2 | S82 L83 I105 L122 L123 S125 V135 K136 L137 L201 | S82-F127 CarbonylContact C-O 3.57Å; S82-F127 VanDerWaalsContact CA-O 3.32Å; S82-F127 WeakPolarHBondContact CA-O 3.42Å; L83-F127 HydrophobicContact CB-CB 3.8Å; L83-F127 HydrophobicContact CD2-CB 4.08Å; L83-F127 HydrophobicContact CD2-CD2 4.21Å; L83-F127 HydrophobicContact CD2-CG 4.25Å; L83-F127 PolarHBondContact N-O 2.88Å; I105-F127 HydrophobicContact CB-CE1 4.39Å; I105-F127 HydrophobicContact CD1-CD1 4.28Å; I105-F127 HydrophobicContact CD1-CE1 4.28Å; I105-F127 HydrophobicContact CG1-CD1 3.89Å; I105-F127 HydrophobicContact CG1-CE1 3.86Å; I105-F127 HydrophobicContact CG2-CE1 3.71Å; I105-F127 HydrophobicContact CG2-CZ 4.17Å; L122-F127 HydrophobicContact CB-CE2 4.44Å; L122-F127 HydrophobicContact CB-CZ 4.24Å; L122-F127 HydrophobicContact CD2-CZ 3.82Å; L123-F127 WeakPolarHBondContact O-CD2 3.24Å; L123-F127 WeakPolarHBondContact O-CE2 3.34Å; S125-F127 PolarHBondContact O-N 3.22Å; F127-V135 HydrophobicContact CB-CG1 3.81Å; F127-V135 HydrophobicContact CD1-CG1 4.07Å; F127-V135 HydrophobicContact CG-CG1 4.31Å; F127-K136 CarbonylContact C-O 3.57Å; F127-K136 WeakPolarHBondContact CA-O 3.46Å; F127-L137 HydrophobicContact CD1-CD1 4.33Å; F127-L137 HydrophobicContact CD1-CG 4.17Å; F127-L137 HydrophobicContact CE1-CD1 4.09Å; F127-L137 HydrophobicContact CE1-CG 3.83Å; F127-L201 HydrophobicContact CD2-CD1 4.44Å; F127-L201 HydrophobicContact CD2-CD2 3.95Å; F127-L201 HydrophobicContact CE1-CD2 4.38Å; F127-L201 HydrophobicContact CE2-CD1 4.23Å; F127-L201 HydrophobicContact CE2-CD2 3.29Å; F127-L201 HydrophobicContact CE2-CG 4.38Å; F127-L201 HydrophobicContact CZ-CD2 3.52Å |
| 128 | L | 93.8 | Very high | 90 | Very high | 19 Ų | 19 | 21.3 Ų | 21.3 | 10% | 0.099 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 151 | 177.2 | -59.7 | -178.9 | 0 | 0 | 0 | 111 | L59 C78 K136 F138 | L59-L128 HydrophobicContact CD1-CD1 4.38Å; L59-L128 HydrophobicContact CD2-CD1 4.15Å; C78-L128 HydrophobicContact CB-CB 3.69Å; C78-L128 HydrophobicContact CB-CD1 4.16Å; L128-K136 PolarHBondContact N-O 3.25Å; L128-K136 PolarHBondContact O-N 2.9Å; L128-F138 HydrophobicContact CD1-CB 3.96Å; L128-F138 HydrophobicContact CD1-CD1 3.95Å; L128-F138 HydrophobicContact CD1-CD2 4.28Å; L128-F138 HydrophobicContact CD1-CG 3.78Å; L128-F138 HydrophobicContact CD2-CD1 4.35Å; L128-F138 HydrophobicContact CG-CB 3.91Å; L128-F138 HydrophobicContact CG-CD1 4.01Å; L128-F138 HydrophobicContact CG-CG 4.07Å |
| 129 | L | 93.9 | Very high | 89.7 | Confident | 11 Ų | 11 | 21.9 Ų | 21.9 | 6% | 0.058 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.4 | 177.1 | -68.3 | 87.9 | 0 | 0 | 0 | 111.4 | C78 T79 G80 G81 L83 V86 F101 T134 | C78-L129 VanDerWaalsContact CB-O 3.32Å; C78-L129 WeakPolarHBondContact CB-O 3.19Å; T79-L129 PolarHBondContact N-O 3.42Å; G80-L129 WeakPolarHBondContact CA-O 3.32Å; G80-L129 PolarHBondContact N-O 3.14Å; G81-L129 PolarHBondContact O-N 3.5Å; L83-L129 HydrophobicContact CB-CD1 4.26Å; V86-L129 HydrophobicContact CG2-CD1 3.97Å; V86-L129 HydrophobicContact CG2-CD2 4.2Å; F101-L129 HydrophobicContact CE1-CD2 4.15Å; F101-L129 HydrophobicContact CE2-CD2 4.35Å; F101-L129 HydrophobicContact CZ-CD2 3.75Å; L129-T134 WeakPolarHBondContact CA-O 3.47Å |
| 130 | D | 90.2 | Very high | 89.7 | Confident | 21 Ų | 21 | 22 Ų | 22 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | trans | -73.3 | 171.8 | 169.5 | 83.9 | -5.8 | 0 | 0 | 0 | 111.7 | N132 G133 T134 | D130-N132 PolarHBondContact O-N 3.11Å; D130-N132 VanDerWaalsContact OD1-C 3.27Å; D130-N132 VanDerWaalsContact OD1-CA 3.25Å; D130-N132 WeakPolarHBondContact OD1-CA 3.37Å; D130-N132 VanDerWaalsContact OD1-CB 3.3Å; D130-N132 WeakPolarHBondContact OD1-CB 3.46Å; D130-N132 PolarHBondContact OD1-N 3.2Å; D130-N132 PolarHBondContact OD2-ND2 2.98Å; D130-G133 PolarHBondContact O-N 3.09Å; D130-G133 PolarHBondContact OD1-N 3.25Å; D130-T134 VanDerWaalsContact CG-CB 3.43Å; D130-T134 PolarHBondContact N-O 2.89Å; D130-T134 WeakPolarHBondContact OD1-CB 3.39Å; D130-T134 PolarHBondContact OD1-N 3.08Å; D130-T134 PolarHBondContact OD1-OG1 2.74Å; D130-T134 WeakPolarHBondContact OD2-CB 3.39Å; D130-T134 PolarHBondContact OD2-OG1 3.43Å | ||
| 131 | G | 82.4 | Confident | 89.9 | Confident | 60 Ų | 60 | 21.4 Ų | 21.4 | 62% | 0.619 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -7.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 132 | N | 85 | Confident | 90 | Very high | 134 Ų | 134 | 20 Ų | 20 | 72% | 0.717 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -0.3 | 175.8 | -47.4 | -65.2 | 0 | 0 | 0 | 112.1 | D130 | D130-N132 PolarHBondContact O-N 3.11Å; D130-N132 VanDerWaalsContact OD1-C 3.27Å; D130-N132 VanDerWaalsContact OD1-CA 3.25Å; D130-N132 WeakPolarHBondContact OD1-CA 3.37Å; D130-N132 VanDerWaalsContact OD1-CB 3.3Å; D130-N132 WeakPolarHBondContact OD1-CB 3.46Å; D130-N132 PolarHBondContact OD1-N 3.2Å; D130-N132 PolarHBondContact OD2-ND2 2.98Å |
| 133 | G | 84.3 | Confident | 90 | Very high | 21 Ų | 21 | 20 Ų | 20 | 22% | 0.216 | 13% | 0.127 | C | C | . | . | trans | 68.4 | 29.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K100 D130 | K100-G133 PolarHBondContact NZ-O 3.31Å; D130-G133 PolarHBondContact O-N 3.09Å; D130-G133 PolarHBondContact OD1-N 3.25Å | ||
| 134 | T | 92.5 | Very high | 90 | Very high | 8 Ų | 8 | 19.1 Ų | 19.1 | 5% | 0.049 | 12% | 0.122 | C | C | . | . | trans | -77.3 | 133.2 | 162.6 | -44.1 | 0 | 0 | 0 | 0 | 108.6 | K56 N57 L129 D130 | K56-T134 HydrophobicContact CD-CG2 4.46Å; K56-T134 HydrophobicContact CG-CG2 4.38Å; N57-T134 WeakPolarHBondContact ND2-CG2 3.48Å; L129-T134 WeakPolarHBondContact CA-O 3.47Å; D130-T134 VanDerWaalsContact CG-CB 3.43Å; D130-T134 PolarHBondContact N-O 2.89Å; D130-T134 WeakPolarHBondContact OD1-CB 3.39Å; D130-T134 PolarHBondContact OD1-N 3.08Å; D130-T134 PolarHBondContact OD1-OG1 2.74Å; D130-T134 WeakPolarHBondContact OD2-CB 3.39Å; D130-T134 PolarHBondContact OD2-OG1 3.43Å | ||
| 135 | V | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 138.1 | 174.2 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | N57 F101 D104 I105 F127 | N57-V135 PolarHBondContact ND2-O 2.97Å; F101-V135 HydrophobicContact CB-CG2 3.82Å; F101-V135 HydrophobicContact CD1-CG2 3.49Å; F101-V135 VanDerWaalsContact CD1-CG2 3.49Å; F101-V135 HydrophobicContact CD2-CG2 4.44Å; F101-V135 HydrophobicContact CE1-CG2 4.13Å; F101-V135 HydrophobicContact CG-CG2 3.68Å; D104-V135 HydrophobicContact CB-CB 4.13Å; I105-V135 HydrophobicContact CD1-CG1 4.25Å; I105-V135 HydrophobicContact CG1-CB 4.32Å; I105-V135 HydrophobicContact CG1-CG1 3.77Å; F127-V135 HydrophobicContact CB-CG1 3.81Å; F127-V135 HydrophobicContact CD1-CG1 4.07Å; F127-V135 HydrophobicContact CG-CG1 4.31Å |
| 136 | K | 94.7 | Very high | 89.5 | Confident | 15 Ų | 15 | 22.3 Ų | 22.3 | 7% | 0.065 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.8 | 176.1 | -56.7 | -161.7 | 178.5 | -153 | 0 | 111.6 | K56 N57 E76 F127 L128 | K56-K136 WeakPolarHBondContact O-CE 3.5Å; N57-K136 CarbonylContact O-C 3.37Å; N57-K136 WeakPolarHBondContact O-CA 3.46Å; E76-K136 IonicContact OE1-NZ 3.85Å; E76-K136 PolarHBondContact OE1-NZ 3.46Å; E76-K136 IonicContact OE2-NZ 2.65Å; E76-K136 PolarHBondContact OE2-NZ 3.03Å; F127-K136 CarbonylContact C-O 3.57Å; F127-K136 WeakPolarHBondContact CA-O 3.46Å; L128-K136 PolarHBondContact N-O 3.25Å; L128-K136 PolarHBondContact O-N 2.9Å |
| 137 | L | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 136.3 | 169.4 | -74.6 | 73.9 | 0 | 0 | 0 | 109.7 | N57 L59 L109 V112 F119 F127 F140 | N57-L137 VanDerWaalsContact O-CD1 3.27Å; N57-L137 WeakPolarHBondContact O-CD1 3.33Å; N57-L137 PolarHBondContact O-N 2.93Å; L59-L137 WeakPolarHBondContact CB-O 3.5Å; L59-L137 PolarHBondContact N-O 3.03Å; L109-L137 HydrophobicContact CD1-CD2 4.45Å; V112-L137 HydrophobicContact CG2-CD2 4.44Å; F119-L137 HydrophobicContact CD2-CD2 3.71Å; F119-L137 HydrophobicContact CE2-CB 4.06Å; F119-L137 HydrophobicContact CE2-CD2 3.92Å; F119-L137 HydrophobicContact CE2-CG 4.42Å; F119-L137 HydrophobicContact CG-CD2 4.21Å; F127-L137 HydrophobicContact CD1-CD1 4.33Å; F127-L137 HydrophobicContact CD1-CG 4.17Å; F127-L137 HydrophobicContact CE1-CD1 4.09Å; F127-L137 HydrophobicContact CE1-CG 3.83Å; L137-F140 HydrophobicContact CB-CZ 4.36Å |
| 138 | F | 88.8 | Confident | 88.3 | Confident | 13 Ų | 13 | 32.5 Ų | 32.5 | 6% | 0.057 | 19% | 0.19 | C | C | . | . | trans | -137.7 | 157.2 | -179.6 | 161.7 | -115.6 | 0 | 0 | 0 | 108.9 | I18 L59 M75 F119 R126 L128 | I18-F138 HydrophobicContact CD1-CE1 4.47Å; I18-F138 HydrophobicContact CD1-CZ 3.97Å; L59-F138 HydrophobicContact CB-CB 4.43Å; L59-F138 HydrophobicContact CD2-CB 4.3Å; L59-F138 HydrophobicContact CD2-CD2 3.48Å; L59-F138 VanDerWaalsContact CD2-CD2 3.48Å; L59-F138 HydrophobicContact CD2-CE2 4.21Å; L59-F138 HydrophobicContact CD2-CG 4.19Å; M75-F138 HydrophobicContact CE-CE2 4.04Å; M75-F138 HydrophobicContact SD-CD2 4.39Å; M75-F138 HydrophobicContact SD-CE2 4.04Å; F119-F138 WeakPolarHBondContact CZ-O 3.43Å; R126-F138 WeakPolarHBondContact CB-O 3.4Å; R126-F138 PolarHBondContact O-N 3.43Å; R126-F138 VanDerWaalsContact O-O 3.12Å; L128-F138 HydrophobicContact CD1-CB 3.96Å; L128-F138 HydrophobicContact CD1-CD1 3.95Å; L128-F138 HydrophobicContact CD1-CD2 4.28Å; L128-F138 HydrophobicContact CD1-CG 3.78Å; L128-F138 HydrophobicContact CD2-CD1 4.35Å; L128-F138 HydrophobicContact CG-CB 3.91Å; L128-F138 HydrophobicContact CG-CD1 4.01Å; L128-F138 HydrophobicContact CG-CG 4.07Å | ||
| 139 | D | 86.4 | Confident | 87.6 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 6% | 0.064 | 21% | 0.211 | C | C | . | . | trans | 66.4 | 80.9 | -179.9 | -174.1 | 34.8 | 0 | 0 | 0 | 115.6 | H46 R126 S141 | H46-D139 IonicContact ND1-OD1 3.2Å; H46-D139 PolarHBondContact ND1-OD1 3.07Å; R126-D139 HydrophobicContact CG-CB 4.12Å; R126-D139 IonicContact CZ-OD2 2.64Å; R126-D139 IonicContact NE-OD2 3.01Å; R126-D139 PolarHBondContact NE-OD2 3.48Å; R126-D139 IonicContact NH2-OD2 3.2Å; R126-D139 PolarHBondContact NH2-OD2 3.12Å; D139-S141 VanDerWaalsContact C-N 3.26Å; D139-S141 PolarHBondContact O-N 3.25Å; D139-S141 WeakPolarHBondContact OD1-CB 3.48Å; D139-S141 PolarHBondContact OD1-N 3.45Å; D139-S141 PolarHBondContact OD1-OG 3.49Å; D139-S141 PolarHBondContact OD2-OG 3.37Å; D139-S141 VanDerWaalsContact OD2-OG 3.05Å | ||
| 140 | F | 90.4 | Very high | 86.9 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | trans | -86.9 | 20.4 | 173.8 | -66.7 | -89.7 | 0 | 0 | 0 | 113.4 | H46 V49 L53 V58 V112 F119 L137 L142 A143 | H46-F140 PolarHBondContact ND1-N 3.32Å; V49-F140 HydrophobicContact CB-CB 4.11Å; V49-F140 HydrophobicContact CG1-CB 4.03Å; V49-F140 HydrophobicContact CG1-CD1 3.63Å; V49-F140 HydrophobicContact CG1-CE1 4.42Å; V49-F140 HydrophobicContact CG1-CG 4.05Å; L53-F140 HydrophobicContact CD1-CD1 3.97Å; L53-F140 HydrophobicContact CD1-CE1 3.45Å; L53-F140 VanDerWaalsContact CD1-CE1 3.45Å; L53-F140 HydrophobicContact CD1-CE2 4.34Å; L53-F140 HydrophobicContact CD1-CZ 3.68Å; V58-F140 HydrophobicContact CG1-CE2 3.74Å; V58-F140 HydrophobicContact CG1-CZ 3.61Å; V58-F140 HydrophobicContact CG2-CZ 4.43Å; V112-F140 HydrophobicContact CG1-CE1 4.32Å; V112-F140 HydrophobicContact CG2-CE1 3.91Å; V112-F140 HydrophobicContact CG2-CZ 4.27Å; F119-F140 AromaticContact CD2-CD1 3.87Å; F119-F140 HydrophobicContact CD2-CD1 3.87Å; F119-F140 AromaticContact CD2-CE1 3.56Å; F119-F140 HydrophobicContact CD2-CE1 3.56Å; F119-F140 HydrophobicContact CD2-CZ 4.23Å; F119-F140 AromaticContact CE2-CD1 3.82Å; F119-F140 HydrophobicContact CE2-CD1 3.82Å; F119-F140 AromaticContact CE2-CE1 3.63Å; F119-F140 HydrophobicContact CE2-CE1 3.63Å; F119-F140 HydrophobicContact CE2-CE2 4.42Å; F119-F140 HydrophobicContact CE2-CG 4.32Å; F119-F140 AromaticContact CE2-CZ 3.93Å; F119-F140 HydrophobicContact CE2-CZ 3.93Å; L137-F140 HydrophobicContact CB-CZ 4.36Å; F140-L142 VanDerWaalsContact C-N 3.27Å; F140-L142 PolarHBondContact O-N 3.12Å; F140-A143 HydrophobicContact CB-CB 4.13Å; F140-A143 HydrophobicContact CD1-CB 4Å; F140-A143 PolarHBondContact O-N 3.43Å | ||
| 141 | S | 86.7 | Confident | 86.3 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -34.9 | -176.7 | 48.3 | 0 | 0 | 0 | 0 | 114.7 | N45 R126 D139 | N45-S141 PolarHBondContact ND2-O 3.07Å; R126-S141 PolarHBondContact NH2-OG 2.89Å; D139-S141 VanDerWaalsContact C-N 3.26Å; D139-S141 PolarHBondContact O-N 3.25Å; D139-S141 WeakPolarHBondContact OD1-CB 3.48Å; D139-S141 PolarHBondContact OD1-N 3.45Å; D139-S141 PolarHBondContact OD1-OG 3.49Å; D139-S141 PolarHBondContact OD2-OG 3.37Å; D139-S141 VanDerWaalsContact OD2-OG 3.05Å |
| 142 | L | 87.2 | Confident | 86 | Confident | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 4.7 | -178.5 | -55 | 179.9 | 0 | 0 | 0 | 113.2 | V42 N120 F140 L150 L172 | V42-L142 HydrophobicContact CG2-CD2 4.48Å; N120-L142 WeakPolarHBondContact CB-O 3.26Å; N120-L142 PolarHBondContact ND2-O 3.49Å; F140-L142 VanDerWaalsContact C-N 3.27Å; F140-L142 PolarHBondContact O-N 3.12Å; L142-L150 HydrophobicContact CB-CD2 4.19Å; L142-L150 HydrophobicContact CD2-CD2 4.39Å; L142-L172 HydrophobicContact CD2-CD1 4.29Å; L142-L172 HydrophobicContact CD2-CD2 4.19Å |
| 143 | A | 90.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -74 | 142.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N45 V49 V117 V118 F119 F140 | N45-A143 PolarHBondContact ND2-O 3.04Å; V49-A143 HydrophobicContact CG1-CB 4.15Å; V49-A143 HydrophobicContact CG2-CB 4.37Å; V117-A143 HydrophobicContact CG1-CB 4.03Å; V118-A143 WeakPolarHBondContact O-CA 3.36Å; V118-A143 WeakPolarHBondContact O-CB 3.38Å; F119-A143 WeakPolarHBondContact O-CA 3.41Å; F119-A143 WeakPolarHBondContact O-CB 3.24Å; F140-A143 HydrophobicContact CB-CB 4.13Å; F140-A143 HydrophobicContact CD1-CB 4Å; F140-A143 PolarHBondContact O-N 3.43Å | ||
| 144 | H | 90.3 | Very high | 85.5 | Confident | 13 Ų | 13 | 36.5 Ų | 36.5 | 6% | 0.06 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 159.3 | -177.6 | 61.3 | 98.5 | 0 | 0 | 0 | 110.1 | V117 V118 E148 L150 | V117-H144 CarbonylContact C-O 3.52Å; V117-H144 WeakPolarHBondContact CA-O 3.46Å; V118-H144 PolarHBondContact N-O 3.11Å; V118-H144 PolarHBondContact O-N 3.09Å; H144-E148 HydrophobicContact CB-CB 4.17Å; H144-E148 PolarHBondContact ND1-O 3.44Å; H144-L150 HydrophobicContact CB-CD1 4.46Å |
| 145 | A | 87.4 | Confident | 84.8 | Confident | 26 Ų | 26 | 39.1 Ų | 39.1 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 157.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G116 D147 E148 | G116-A145 CarbonylContact O-C 3.58Å; G116-A145 VanDerWaalsContact O-CA 3.27Å; G116-A145 WeakPolarHBondContact O-CA 3.43Å; A145-D147 PolarHBondContact O-N 3.37Å; A145-E148 HydrophobicContact CB-CB 4.27Å; A145-E148 HydrophobicContact CB-CG 3.83Å; A145-E148 WeakPolarHBondContact CB-OE2 3.43Å; A145-E148 PolarHBondContact N-OE2 3.1Å; A145-E148 PolarHBondContact O-N 2.85Å |
| 146 | E | 81.5 | Confident | 83.9 | Confident | 90 Ų | 90 | 46.2 Ų | 46.2 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.8 | 179.2 | -73.8 | 173.9 | 123 | 0 | 0 | 113.7 | G116 V118 K191 | G116-E146 PolarHBondContact O-N 3.49Å; V118-E146 HydrophobicContact CG2-CG 3.71Å; E146-K191 VanDerWaalsContact CD-CE 3.5Å; E146-K191 WeakPolarHBondContact OE1-CD 3.42Å; E146-K191 WeakPolarHBondContact OE1-CE 3.21Å; E146-K191 WeakPolarHBondContact OE1-CG 3.32Å; E146-K191 IonicContact OE1-NZ 3.31Å; E146-K191 PolarHBondContact OE1-NZ 3.1Å; E146-K191 WeakPolarHBondContact OE2-CE 3.42Å; E146-K191 IonicContact OE2-NZ 3.7Å; E146-K191 PolarHBondContact OE2-NZ 3.17Å |
| 147 | D | 79.1 | Confident | 82.9 | Confident | 168 Ų | 168 | 48.1 Ų | 48.1 | 90% | 0.898 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 5.6 | 177.7 | -51.3 | -56.5 | 0 | 0 | 0 | 113.5 | A145 | A145-D147 PolarHBondContact O-N 3.37Š|
| 148 | E | 81.7 | Confident | 81.8 | Confident | 56 Ų | 56 | 49.8 Ų | 49.8 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | trans | -109 | 125.6 | -172.5 | -76.3 | 174.5 | 166.8 | 0 | 0 | 113.6 | R48 H144 A145 L150 L153 | R48-E148 IonicContact CZ-OE1 2.65Å; R48-E148 IonicContact CZ-OE2 3.46Å; R48-E148 VanDerWaalsContact CZ-OE2 3.31Å; R48-E148 IonicContact NH1-OE1 3.4Å; R48-E148 PolarHBondContact NH1-OE1 3.29Å; R48-E148 IonicContact NH1-OE2 3.51Å; R48-E148 PolarHBondContact NH1-OE2 3Å; R48-E148 IonicContact NH2-OE1 2.68Å; R48-E148 IonicContact NH2-OE2 2.76Å; R48-E148 PolarHBondContact NH2-OE2 3.43Å; H144-E148 HydrophobicContact CB-CB 4.17Å; H144-E148 PolarHBondContact ND1-O 3.44Å; A145-E148 HydrophobicContact CB-CB 4.27Å; A145-E148 HydrophobicContact CB-CG 3.83Å; A145-E148 WeakPolarHBondContact CB-OE2 3.43Å; A145-E148 PolarHBondContact N-OE2 3.1Å; A145-E148 PolarHBondContact O-N 2.85Å; E148-L150 PolarHBondContact O-N 2.9Å; E148-L153 HydrophobicContact CB-CD1 3.79Å; E148-L153 HydrophobicContact CG-CD1 4.05Å; E148-L153 WeakPolarHBondContact OE2-CD1 3.43Å | ||
| 149 | I | 78.4 | Confident | 80.4 | Confident | 104 Ų | 104 | 54.1 Ų | 54.1 | 53% | 0.533 | 28% | 0.28 | S | S | . | . | trans | -78.2 | 115.3 | 169.1 | -58.5 | 176.6 | 0 | 0 | 0 | 108.9 | D151 D152 L153 | I149-D151 PolarHBondContact O-N 3.13Å; I149-D152 HydrophobicContact CB-CB 4.35Å; I149-D152 HydrophobicContact CG2-CB 4.35Å; I149-D152 PolarHBondContact O-N 3.49Å; I149-L153 PolarHBondContact O-N 3.1Å | ||
| 150 | L | 79 | Confident | 78.9 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | -173.7 | 179.4 | 63.3 | 0 | 0 | 0 | 113.6 | N120 L142 H144 E148 L153 L154 | N120-L150 WeakPolarHBondContact ND2-CD2 3.14Å; L142-L150 HydrophobicContact CB-CD2 4.19Å; L142-L150 HydrophobicContact CD2-CD2 4.39Å; H144-L150 HydrophobicContact CB-CD1 4.46Å; E148-L150 PolarHBondContact O-N 2.9Å; L150-L153 PolarHBondContact O-N 3.39Å; L150-L154 HydrophobicContact CD1-CD1 4.06Å; L150-L154 HydrophobicContact CD1-CG 4.11Å; L150-L154 HydrophobicContact CG-CD1 3.92Å; L150-L154 HydrophobicContact CG-CG 4.38Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 3.01Å |
| 151 | D | 76.5 | Confident | 77 | Confident | 92 Ų | 92 | 69.7 Ų | 69.7 | 49% | 0.492 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | -178.2 | -70.9 | -20.6 | 0 | 0 | 0 | 111.4 | I149 L153 L154 V155 | I149-D151 PolarHBondContact O-N 3.13Å; D151-L153 PolarHBondContact O-N 2.77Å; D151-L154 PolarHBondContact O-N 3.16Å; D151-V155 WeakPolarHBondContact O-CG2 3.48Å; D151-V155 PolarHBondContact O-N 3.21Å |
| 152 | D | 77.2 | Confident | 75.4 | Confident | 105 Ų | 105 | 72.6 Ų | 72.6 | 56% | 0.561 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62 | -41.3 | 176.2 | -70.7 | -26.1 | 0 | 0 | 0 | 111.6 | I149 V155 Q156 | I149-D152 HydrophobicContact CB-CB 4.35Å; I149-D152 HydrophobicContact CG2-CB 4.35Å; I149-D152 PolarHBondContact O-N 3.49Å; D152-V155 PolarHBondContact O-N 3.3Å; D152-Q156 WeakPolarHBondContact O-CB 3.45Å; D152-Q156 PolarHBondContact O-N 3.24Å |
| 153 | L | 79 | Confident | 73.6 | Confident | 21 Ų | 21 | 82.8 Ų | 82.8 | 11% | 0.11 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 174.4 | -74.4 | 178.6 | 0 | 0 | 0 | 112.8 | E148 I149 L150 D151 Q156 F157 | E148-L153 HydrophobicContact CB-CD1 3.79Å; E148-L153 HydrophobicContact CG-CD1 4.05Å; E148-L153 WeakPolarHBondContact OE2-CD1 3.43Å; I149-L153 PolarHBondContact O-N 3.1Å; L150-L153 PolarHBondContact O-N 3.39Å; D151-L153 PolarHBondContact O-N 2.77Å; L153-Q156 WeakPolarHBondContact O-CB 3.23Å; L153-Q156 PolarHBondContact O-N 3.33Å; L153-F157 WeakPolarHBondContact O-CD2 3.3Å; L153-F157 PolarHBondContact O-N 3.07Å |
| 154 | L | 79.8 | Confident | 71.8 | Confident | 1 Ų | 1 | 87.5 Ų | 87.5 | 1% | 0.005 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -68.4 | -38.5 | 179.4 | -71 | 173 | 0 | 0 | 0 | 111 | P41 V42 L150 D151 Q156 F157 C158 L169 L172 | P41-L154 HydrophobicContact CB-CB 4.4Å; P41-L154 HydrophobicContact CB-CD2 3.89Å; P41-L154 WeakPolarHBondContact CB-O 3.49Å; V42-L154 HydrophobicContact CG2-CD2 4.41Å; L150-L154 HydrophobicContact CD1-CD1 4.06Å; L150-L154 HydrophobicContact CD1-CG 4.11Å; L150-L154 HydrophobicContact CG-CD1 3.92Å; L150-L154 HydrophobicContact CG-CG 4.38Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 3.01Å; D151-L154 PolarHBondContact O-N 3.16Å; L154-Q156 VanDerWaalsContact C-N 3.34Å; L154-F157 PolarHBondContact O-N 3.26Å; L154-C158 PolarHBondContact O-N 3.47Å; L154-C158 PolarHBondContact O-SG 2.93Å; L154-L169 HydrophobicContact CB-CD2 4.35Å; L154-L172 HydrophobicContact CD1-CD1 3.6Å |
| 155 | V | 78 | Confident | 70 | Confident | 63 Ų | 63 | 90.9 Ų | 90.9 | 38% | 0.382 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -39.4 | 171.2 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | D151 D152 F157 C158 L169 | D151-V155 WeakPolarHBondContact O-CG2 3.48Å; D151-V155 PolarHBondContact O-N 3.21Å; D152-V155 PolarHBondContact O-N 3.3Å; V155-F157 PolarHBondContact O-N 2.96Å; V155-C158 WeakPolarHBondContact O-CB 3.31Å; V155-C158 PolarHBondContact O-N 2.61Å; V155-C158 VanDerWaalsContact O-N 3.08Å; V155-L169 HydrophobicContact CG2-CD1 3.99Å |
| 156 | Q | 75.9 | Confident | 68.2 | Low | 148 Ų | 148 | 92.3 Ų | 92.3 | 69% | 0.692 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.5 | -23.1 | 177.2 | -167.4 | -179.7 | 26.3 | 0 | 0 | 113.6 | D152 L153 L154 | D152-Q156 WeakPolarHBondContact O-CB 3.45Å; D152-Q156 PolarHBondContact O-N 3.24Å; L153-Q156 WeakPolarHBondContact O-CB 3.23Å; L153-Q156 PolarHBondContact O-N 3.33Å; L154-Q156 VanDerWaalsContact C-N 3.34Å |
| 157 | F | 73.5 | Confident | 67 | Low | 56 Ų | 56 | 93.1 Ų | 93.1 | 25% | 0.246 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 0.9 | 176 | -67.2 | -55.7 | 0 | 0 | 0 | 114.6 | P41 N45 L153 L154 V155 | P41-F157 HydrophobicContact CB-CB 3.97Å; P41-F157 HydrophobicContact CG-CB 4.3Å; N45-F157 HydrophobicContact CB-CD2 4.48Å; N45-F157 HydrophobicContact CB-CE2 4.13Å; L153-F157 WeakPolarHBondContact O-CD2 3.3Å; L153-F157 PolarHBondContact O-N 3.07Å; L154-F157 PolarHBondContact O-N 3.26Å; V155-F157 PolarHBondContact O-N 2.96Å |
| 158 | C | 70.1 | Confident | 66.1 | Low | 34 Ų | 34 | 87.6 Ų | 87.6 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -75.1 | 141.5 | 170 | -68.7 | 0 | 0 | 0 | 0 | 110.6 | L154 V155 | L154-C158 PolarHBondContact O-N 3.47Å; L154-C158 PolarHBondContact O-SG 2.93Å; V155-C158 WeakPolarHBondContact O-CB 3.31Å; V155-C158 PolarHBondContact O-N 2.61Å; V155-C158 VanDerWaalsContact O-N 3.08Å |
| 159 | E | 61 | Low | 65.1 | Low | 105 Ų | 105 | 87.2 Ų | 87.2 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | trans | -80.8 | 144.9 | 169.6 | -67.4 | 173.5 | -166.7 | 0 | 0 | 109.2 | R40 D161 D162 | R40-E159 WeakPolarHBondContact CD-OE1 3.46Å; R40-E159 IonicContact CZ-OE1 3.42Å; R40-E159 VanDerWaalsContact CZ-OE1 3.32Å; R40-E159 IonicContact NE-OE1 3.28Å; R40-E159 PolarHBondContact NE-OE1 3.44Å; R40-E159 IonicContact NH1-OE1 3.72Å; R40-E159 PolarHBondContact NH1-OE1 3.07Å; E159-D161 PolarHBondContact O-N 3Å; E159-D162 PolarHBondContact O-N 2.84Å | ||
| 160 | E | 53.5 | Low | 64 | Low | 193 Ų | 193 | 91.1 Ų | 91.1 | 90% | 0.902 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.9 | -168.3 | -63.8 | -170 | 146.8 | 0 | 0 | 114.6 | ||
| 161 | D | 50.9 | Low | 63 | Low | 147 Ų | 147 | 92.3 Ų | 92.3 | 79% | 0.786 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -9.2 | -176.1 | -69.5 | -51.7 | 0 | 0 | 0 | 115 | E159 Y163 | E159-D161 PolarHBondContact O-N 3Å; D161-Y163 PolarHBondContact O-N 3.11Å |
| 162 | D | 53.8 | Low | 62.3 | Low | 62 Ų | 62 | 89.8 Ų | 89.8 | 33% | 0.332 | 46% | 0.458 | S | S | . | . | trans | -85 | 96.3 | -173.7 | -156.2 | -25.6 | 0 | 0 | 0 | 112.4 | E159 N164 | E159-D162 PolarHBondContact O-N 2.84Å; D162-N164 PolarHBondContact O-N 3.35Å; D162-N164 PolarHBondContact OD1-ND2 2.89Å | ||
| 163 | Y | 47.8 | Very low | 61.5 | Low | 226 Ų | 226 | 88.2 Ų | 88.2 | 89% | 0.886 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 1.3 | -175.7 | -93.6 | -96.4 | 0 | 0 | 0 | 116.2 | D161 | D161-Y163 PolarHBondContact O-N 3.11Š|
| 164 | N | 52.8 | Low | 61.3 | Low | 99 Ų | 99 | 91.5 Ų | 91.5 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 9.7 | -171.1 | -54.4 | -71.5 | 0 | 0 | 0 | 114.9 | D162 G166 D167 F168 | D162-N164 PolarHBondContact O-N 3.35Å; D162-N164 PolarHBondContact OD1-ND2 2.89Å; N164-G166 VanDerWaalsContact C-N 3.26Å; N164-G166 PolarHBondContact O-N 3.05Å; N164-G166 VanDerWaalsContact O-N 3.07Å; N164-D167 PolarHBondContact O-N 3.19Å; N164-F168 PolarHBondContact O-N 3.07Å; N164-F168 VanDerWaalsContact O-N 3.13Å |
| 165 | Q | 52.9 | Low | 61.3 | Low | 85 Ų | 85 | 93.2 Ų | 93.2 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -45.6 | -44.1 | -174.2 | -67.5 | 174.1 | 4 | 0 | 0 | 114.4 | F168 L169 | Q165-F168 PolarHBondContact O-N 3.07Å; Q165-L169 PolarHBondContact O-N 3.44Å |
| 166 | G | 50.7 | Low | 61.6 | Low | 56 Ų | 56 | 91.7 Ų | 91.7 | 58% | 0.577 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.6 | -37.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N164 R170 | N164-G166 VanDerWaalsContact C-N 3.26Å; N164-G166 PolarHBondContact O-N 3.05Å; N164-G166 VanDerWaalsContact O-N 3.07Å; G166-R170 VanDerWaalsContact O-CB 3.26Å; G166-R170 WeakPolarHBondContact O-CB 3.12Å; G166-R170 PolarHBondContact O-N 3.33Å |
| 167 | D | 55.5 | Low | 62.3 | Low | 107 Ų | 107 | 87.7 Ų | 87.7 | 57% | 0.572 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -80.2 | -26.1 | 179.4 | -78.1 | -32.3 | 0 | 0 | 0 | 112.2 | N164 R170 G171 | N164-D167 PolarHBondContact O-N 3.19Å; D167-R170 PolarHBondContact O-N 3.28Å; D167-G171 PolarHBondContact O-N 3.21Å |
| 168 | F | 60.6 | Low | 63.2 | Low | 51 Ų | 51 | 85.9 Ų | 85.9 | 22% | 0.224 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.8 | -54.1 | 173.1 | -178.8 | -101 | 0 | 0 | 0 | 111.8 | P41 V42 N164 Q165 R170 G171 L172 | P41-F168 HydrophobicContact CB-CE1 3.93Å; P41-F168 HydrophobicContact CB-CZ 4.04Å; P41-F168 HydrophobicContact CG-CE1 4.14Å; P41-F168 HydrophobicContact CG-CZ 4.23Å; V42-F168 HydrophobicContact CB-CZ 4.46Å; V42-F168 HydrophobicContact CG2-CZ 4Å; N164-F168 PolarHBondContact O-N 3.07Å; N164-F168 VanDerWaalsContact O-N 3.13Å; Q165-F168 PolarHBondContact O-N 3.07Å; F168-R170 VanDerWaalsContact C-N 3.29Å; F168-R170 PolarHBondContact O-N 3.33Å; F168-G171 PolarHBondContact O-N 3.19Å; F168-G171 VanDerWaalsContact O-N 3.14Å; F168-L172 HydrophobicContact CD1-CD1 4.44Å; F168-L172 HydrophobicContact CE1-CD1 3.94Å; F168-L172 HydrophobicContact CZ-CD1 4.33Å; F168-L172 PolarHBondContact O-N 3.38Å |
| 169 | L | 60.2 | Low | 64.2 | Low | 49 Ų | 49 | 84.5 Ų | 84.5 | 26% | 0.257 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 176.8 | -64.9 | 175.5 | 0 | 0 | 0 | 111.4 | L154 V155 Q165 G171 L172 S173 | L154-L169 HydrophobicContact CB-CD2 4.35Å; V155-L169 HydrophobicContact CG2-CD1 3.99Å; Q165-L169 PolarHBondContact O-N 3.44Å; L169-G171 VanDerWaalsContact C-N 3.27Å; L169-G171 PolarHBondContact O-N 3.3Å; L169-L172 PolarHBondContact O-N 2.92Å; L169-L172 VanDerWaalsContact O-N 3.08Å; L169-S173 PolarHBondContact O-N 3.42Å |
| 170 | R | 55.1 | Low | 65.6 | Low | 185 Ų | 185 | 79.5 Ų | 79.5 | 70% | 0.698 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -62.9 | -30.9 | 176.5 | -162.4 | 178.1 | -162 | -178.1 | 5.8 | 113.3 | G166 D167 F168 S173 | G166-R170 VanDerWaalsContact O-CB 3.26Å; G166-R170 WeakPolarHBondContact O-CB 3.12Å; G166-R170 PolarHBondContact O-N 3.33Å; D167-R170 PolarHBondContact O-N 3.28Å; F168-R170 VanDerWaalsContact C-N 3.29Å; F168-R170 PolarHBondContact O-N 3.33Å; R170-S173 WeakPolarHBondContact O-CB 3.3Å; R170-S173 PolarHBondContact O-N 3.36Å |
| 171 | G | 57.3 | Low | 67.4 | Low | 53 Ų | 53 | 70.9 Ų | 70.9 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.6 | -32.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D167 F168 L169 S173 | D167-G171 PolarHBondContact O-N 3.21Å; F168-G171 PolarHBondContact O-N 3.19Å; F168-G171 VanDerWaalsContact O-N 3.14Å; L169-G171 VanDerWaalsContact C-N 3.27Å; L169-G171 PolarHBondContact O-N 3.3Å; G171-S173 VanDerWaalsContact C-N 3.33Å |
| 172 | L | 63.1 | Low | 69.3 | Low | 39 Ų | 39 | 64.6 Ų | 64.6 | 20% | 0.204 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -77.7 | -20.4 | 177.3 | -60.8 | 176.5 | 0 | 0 | 0 | 113.1 | R121 L142 L154 F168 L169 V174 | R121-L172 PolarHBondContact NH1-O 2.99Å; L142-L172 HydrophobicContact CD2-CD1 4.29Å; L142-L172 HydrophobicContact CD2-CD2 4.19Å; L154-L172 HydrophobicContact CD1-CD1 3.6Å; F168-L172 HydrophobicContact CD1-CD1 4.44Å; F168-L172 HydrophobicContact CE1-CD1 3.94Å; F168-L172 HydrophobicContact CZ-CD1 4.33Å; F168-L172 PolarHBondContact O-N 3.38Å; L169-L172 PolarHBondContact O-N 2.92Å; L169-L172 VanDerWaalsContact O-N 3.08Å; L172-V174 VanDerWaalsContact C-N 3.3Å; L172-V174 PolarHBondContact O-N 2.97Å |
| 173 | S | 60.9 | Low | 70.9 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4 | -174.6 | -170.7 | 0 | 0 | 0 | 0 | 115.1 | L169 R170 G171 H175 | L169-S173 PolarHBondContact O-N 3.42Å; R170-S173 WeakPolarHBondContact O-CB 3.3Å; R170-S173 PolarHBondContact O-N 3.36Å; G171-S173 VanDerWaalsContact C-N 3.33Å; S173-H175 PolarHBondContact O-N 2.99Å |
| 174 | V | 73.1 | Confident | 72.7 | Confident | 91 Ų | 91 | 52.9 Ų | 52.9 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | trans | -69.9 | 113.7 | 175.3 | -176.8 | 0 | 0 | 0 | 0 | 110.2 | R121 L172 | R121-V174 PolarHBondContact NH2-O 3.09Å; L172-V174 VanDerWaalsContact C-N 3.3Å; L172-V174 PolarHBondContact O-N 2.97Å | ||
| 175 | H | 80.9 | Confident | 74.1 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | trans | -72.3 | 140.5 | -178.6 | -38.1 | 130 | 0 | 0 | 0 | 112.4 | S173 D179 I184 Q217 D221 | S173-H175 PolarHBondContact O-N 2.99Å; H175-D179 VanDerWaalsContact CA-OD2 3.3Å; H175-D179 WeakPolarHBondContact CA-OD2 3.47Å; H175-I184 HydrophobicContact CB-CD1 4.24Å; H175-I184 HydrophobicContact CB-CG1 4.08Å; H175-Q217 PolarHBondContact O-NE2 3.02Å; H175-D221 IonicContact CE1-OD2 3.48Å; H175-D221 PolarHBondContact CE1-OD2 2.79Å; H175-D221 IonicContact CG-OD1 3Å; H175-D221 VanDerWaalsContact ND1-CG 3.31Å; H175-D221 IonicContact ND1-OD1 3.79Å; H175-D221 PolarHBondContact ND1-OD1 3.46Å; H175-D221 IonicContact ND1-OD2 2.69Å; H175-D221 PolarHBondContact ND1-OD2 3.38Å | ||
| 176 | S | 85 | Confident | 75.2 | Confident | 31 Ų | 31 | 54.8 Ų | 54.8 | 22% | 0.217 | 31% | 0.309 | C | S | . | . | trans | -98.4 | 162.8 | 180 | -160.5 | 0 | 0 | 0 | 0 | 113.4 | L123 Y178 D179 I224 | L123-S176 WeakPolarHBondContact CD2-OG 3.39Å; S176-Y178 PolarHBondContact O-N 2.91Å; S176-D179 PolarHBondContact N-OD2 3.44Å; S176-D179 PolarHBondContact O-N 3.42Å; S176-I224 WeakPolarHBondContact O-CD1 3.31Å | ||
| 177 | E | 89.7 | Confident | 76.4 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -6.2 | 174.7 | -56.3 | 174.8 | 126 | 0 | 0 | 114.1 | P210 L220 | E177-P210 HydrophobicContact CB-CB 3.97Å; E177-P210 HydrophobicContact CB-CG 4.19Å; E177-P210 HydrophobicContact CG-CG 4.39Å; E177-L220 HydrophobicContact CB-CD1 4.44Å; E177-L220 HydrophobicContact CG-CD1 3.98Å; E177-L220 HydrophobicContact CG-CD2 3.96Å |
| 178 | Y | 91.6 | Very high | 77.4 | Confident | 17 Ų | 17 | 63.6 Ų | 63.6 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -9.8 | -179 | -54.6 | -97 | 0 | 0 | 0 | 112.8 | L122 L123 P124 S176 C200 N204 | L122-Y178 WeakPolarHBondContact O-CB 3.15Å; L123-Y178 HydrophobicContact CD2-CD2 3.58Å; L123-Y178 HydrophobicContact CD2-CE2 4.31Å; L123-Y178 HydrophobicContact CD2-CG 4.07Å; P124-Y178 HydrophobicContact CG-CE1 3.89Å; P124-Y178 HydrophobicContact CG-CE2 4.44Å; P124-Y178 WeakPolarHBondContact CG-OH 3.15Å; S176-Y178 PolarHBondContact O-N 2.91Å; Y178-C200 HydrophobicContact CD1-CB 3.63Å; Y178-C200 HydrophobicContact CE1-CB 4.26Å; Y178-C200 HydrophobicContact CG-CB 4.29Å; Y178-N204 HydrophobicContact CE1-CB 4.45Å; Y178-N204 PolarHBondContact OH-ND2 3.06Å |
| 179 | D | 91.1 | Very high | 78.4 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.027 | 32% | 0.323 | C | S | . | . | trans | -70.8 | 153.1 | 178.4 | -67.8 | -9.6 | 0 | 0 | 0 | 109.8 | R121 H175 S176 T183 W196 | R121-D179 WeakPolarHBondContact CG-OD1 3.28Å; R121-D179 IonicContact CZ-OD1 3.02Å; R121-D179 IonicContact CZ-OD2 3.32Å; R121-D179 IonicContact NE-OD1 3.36Å; R121-D179 PolarHBondContact NE-OD1 3.04Å; R121-D179 IonicContact NE-OD2 2.7Å; R121-D179 PolarHBondContact NE-OD2 3.05Å; R121-D179 IonicContact NH2-OD1 2.66Å; R121-D179 IonicContact NH2-OD2 3.93Å; R121-D179 PolarHBondContact NH2-OD2 2.54Å; H175-D179 VanDerWaalsContact CA-OD2 3.3Å; H175-D179 WeakPolarHBondContact CA-OD2 3.47Å; S176-D179 PolarHBondContact N-OD2 3.44Å; S176-D179 PolarHBondContact O-N 3.42Å; D179-T183 HydrophobicContact CB-CG2 4.32Å; D179-W196 PolarHBondContact O-NE1 3.37Å | ||
| 180 | S | 91.8 | Very high | 79.7 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | trans | -92.7 | 161.5 | -170.1 | 77.1 | 0 | 0 | 0 | 0 | 113.3 | E182 T183 I184 S193 | S180-E182 VanDerWaalsContact CB-OE1 3.3Å; S180-E182 WeakPolarHBondContact CB-OE1 3.46Å; S180-E182 PolarHBondContact O-N 3.33Å; S180-E182 VanDerWaalsContact OG-CG 3.31Å; S180-E182 WeakPolarHBondContact OG-CG 3.36Å; S180-E182 PolarHBondContact OG-OE1 3.29Å; S180-E182 PolarHBondContact OG-OE2 3.01Å; S180-T183 PolarHBondContact N-OG1 3.15Å; S180-T183 WeakPolarHBondContact O-CB 3.32Å; S180-T183 PolarHBondContact O-N 3.28Å; S180-T183 VanDerWaalsContact O-N 3.08Å; S180-T183 PolarHBondContact OG-N 3.06Å; S180-T183 PolarHBondContact OG-OG1 2.93Å; S180-I184 PolarHBondContact O-N 2.88Å; S180-S193 WeakPolarHBondContact OG-CB 3.23Å | ||
| 181 | P | 91.4 | Very high | 81.5 | Confident | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.071 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.2 | -35.9 | 177.6 | -26.1 | 36.9 | 0 | 0 | 0 | 112.1 | S185 W196 I224 L225 K254 | P181-S185 VanDerWaalsContact O-CB 3.27Å; P181-S185 WeakPolarHBondContact O-CB 3.26Å; P181-S185 PolarHBondContact O-N 3.43Å; P181-S185 PolarHBondContact O-OG 3.31Å; P181-W196 HydrophobicContact CG-CD2 4.42Å; P181-W196 HydrophobicContact CG-CE3 4.22Å; P181-W196 HydrophobicContact CG-CH2 3.73Å; P181-W196 HydrophobicContact CG-CZ2 3.93Å; P181-W196 HydrophobicContact CG-CZ3 3.86Å; P181-I224 HydrophobicContact CG-CG2 4.25Å; P181-L225 HydrophobicContact CB-CD2 4.19Å; P181-K254 HydrophobicContact CG-CD 4.1Å |
| 182 | E | 89.6 | Confident | 83.2 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.6 | -38.6 | 174 | 65.7 | -81.7 | -179.8 | 0 | 0 | 113.3 | S180 I184 S185 Q186 Y187 S193 R259 | S180-E182 VanDerWaalsContact CB-OE1 3.3Å; S180-E182 WeakPolarHBondContact CB-OE1 3.46Å; S180-E182 PolarHBondContact O-N 3.33Å; S180-E182 VanDerWaalsContact OG-CG 3.31Å; S180-E182 WeakPolarHBondContact OG-CG 3.36Å; S180-E182 PolarHBondContact OG-OE1 3.29Å; S180-E182 PolarHBondContact OG-OE2 3.01Å; E182-I184 PolarHBondContact O-N 3.09Å; E182-S185 CarbonylContact O-C 3.43Å; E182-S185 PolarHBondContact O-N 3.06Å; E182-Q186 PolarHBondContact O-N 2.97Å; E182-Y187 HydrophobicContact CB-CD2 4.45Å; E182-Y187 PolarHBondContact O-N 2.79Å; E182-S193 VanDerWaalsContact OE1-CA 3.3Å; E182-S193 WeakPolarHBondContact OE1-CA 3.34Å; E182-S193 VanDerWaalsContact OE1-CB 3.22Å; E182-S193 WeakPolarHBondContact OE1-CB 3.39Å; E182-R259 IonicContact OE1-CZ 3.98Å; E182-R259 IonicContact OE1-NH1 2.72Å; E182-R259 PolarHBondContact OE1-NH1 3.4Å; E182-R259 IonicContact OE1-NH2 3.47Å; E182-R259 PolarHBondContact OE1-NH2 2.98Å; E182-R259 IonicContact OE2-CZ 2.75Å; E182-R259 IonicContact OE2-NH1 3.41Å; E182-R259 IonicContact OE2-NH2 3.46Å; E182-R259 PolarHBondContact OE2-NH2 2.84Å |
| 183 | T | 87.3 | Confident | 84.6 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 15% | 0.153 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 172.8 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | D179 S180 S185 Q186 N189 | D179-T183 HydrophobicContact CB-CG2 4.32Å; S180-T183 PolarHBondContact N-OG1 3.15Å; S180-T183 WeakPolarHBondContact O-CB 3.32Å; S180-T183 PolarHBondContact O-N 3.28Å; S180-T183 VanDerWaalsContact O-N 3.08Å; S180-T183 PolarHBondContact OG-N 3.06Å; S180-T183 PolarHBondContact OG-OG1 2.93Å; T183-S185 VanDerWaalsContact C-N 3.26Å; T183-S185 PolarHBondContact O-N 3.09Å; T183-Q186 PolarHBondContact O-N 2.88Å; T183-N189 PolarHBondContact OG1-OD1 3.16Å |
| 184 | I | 86.5 | Confident | 86.2 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.087 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.5 | -26.5 | 179.6 | -63.7 | -178.2 | 0 | 0 | 0 | 111.6 | H175 S180 E182 Q186 D221 I224 L225 | H175-I184 HydrophobicContact CB-CD1 4.24Å; H175-I184 HydrophobicContact CB-CG1 4.08Å; S180-I184 PolarHBondContact O-N 2.88Å; E182-I184 PolarHBondContact O-N 3.09Å; I184-Q186 PolarHBondContact O-N 3.06Å; I184-D221 HydrophobicContact CG2-CB 3.86Å; I184-I224 HydrophobicContact CD1-CB 3.74Å; I184-I224 HydrophobicContact CD1-CD1 3.58Å; I184-I224 HydrophobicContact CD1-CG1 4.25Å; I184-I224 HydrophobicContact CD1-CG2 3.58Å; I184-L225 HydrophobicContact CG2-CD1 4.29Å; I184-L225 HydrophobicContact CG2-CG 4.33Å |
| 185 | S | 82.7 | Confident | 87.2 | Confident | 54 Ų | 54 | 46.1 Ų | 46.1 | 38% | 0.378 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 6.9 | 172.3 | -54.7 | 0 | 0 | 0 | 0 | 113.4 | P181 E182 T183 Y187 | P181-S185 VanDerWaalsContact O-CB 3.27Å; P181-S185 WeakPolarHBondContact O-CB 3.26Å; P181-S185 PolarHBondContact O-N 3.43Å; P181-S185 PolarHBondContact O-OG 3.31Å; E182-S185 CarbonylContact O-C 3.43Å; E182-S185 PolarHBondContact O-N 3.06Å; T183-S185 VanDerWaalsContact C-N 3.26Å; T183-S185 PolarHBondContact O-N 3.09Å; S185-Y187 PolarHBondContact O-N 3.15Å |
| 186 | Q | 76.1 | Confident | 87.9 | Confident | 171 Ų | 171 | 44.3 Ų | 44.3 | 80% | 0.799 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 30.2 | -179.7 | -56.6 | -179.2 | -21 | 0 | 0 | 114.3 | E182 T183 I184 | E182-Q186 PolarHBondContact O-N 2.97Å; T183-Q186 PolarHBondContact O-N 2.88Å; I184-Q186 PolarHBondContact O-N 3.06Å |
| 187 | Y | 75.5 | Confident | 88.3 | Confident | 170 Ų | 170 | 43 Ų | 43 | 67% | 0.667 | 21% | 0.212 | S | C | * | . | P | Polyproline II helix | trans | -89.8 | 157.5 | 167.1 | -66.6 | -63.6 | 0 | 0 | 0 | 111.1 | E182 S185 N189 | E182-Y187 HydrophobicContact CB-CD2 4.45Å; E182-Y187 PolarHBondContact O-N 2.79Å; S185-Y187 PolarHBondContact O-N 3.15Å; Y187-N189 PolarHBondContact O-N 3.3Å |
| 188 | E | 75 | Confident | 88.5 | Confident | 178 Ų | 178 | 39.9 Ų | 39.9 | 83% | 0.832 | 20% | 0.197 | S | C | * | . | P | Polyproline II helix | trans | -57.6 | 131.5 | -178.6 | -67.1 | 166.1 | 174.3 | 0 | 0 | 112.6 | ||
| 189 | N | 83.1 | Confident | 88.7 | Confident | 33 Ų | 33 | 39.1 Ų | 39.1 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 141.6 | 175.7 | -80.3 | -20 | 0 | 0 | 0 | 110.7 | N120 T183 Y187 | N120-N189 PolarHBondContact OD1-ND2 3.33Å; T183-N189 PolarHBondContact OG1-OD1 3.16Å; Y187-N189 PolarHBondContact O-N 3.3Å |
| 190 | S | 87.7 | Confident | 88.9 | Confident | 44 Ų | 44 | 38.9 Ų | 38.9 | 31% | 0.308 | 19% | 0.193 | S | C | . | . | trans | -144.1 | 174.7 | -174.2 | 63.2 | 0 | 0 | 0 | 0 | 110.3 | S192 S193 | S190-S192 PolarHBondContact O-N 3.35Å; S190-S192 PolarHBondContact OG-N 3.11Å; S190-S193 PolarHBondContact N-OG 3.34Å; S190-S193 PolarHBondContact O-N 3.48Å; S190-S193 PolarHBondContact O-OG 2.96Å | ||
| 191 | K | 92.3 | Very high | 89 | Confident | 52 Ų | 52 | 38.8 Ų | 38.8 | 23% | 0.226 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -49.5 | -24.5 | 171.9 | -64.2 | 179.7 | 180 | 124.5 | 0 | 113.9 | H113 E146 Y195 | H113-K191 HydrophobicContact CB-CD 3.88Å; H113-K191 HydrophobicContact CB-CG 4.26Å; H113-K191 PolarHBondContact NE2-O 2.99Å; H113-K191 WeakPolarHBondContact O-CE 3.48Å; E146-K191 VanDerWaalsContact CD-CE 3.5Å; E146-K191 WeakPolarHBondContact OE1-CD 3.42Å; E146-K191 WeakPolarHBondContact OE1-CE 3.21Å; E146-K191 WeakPolarHBondContact OE1-CG 3.32Å; E146-K191 IonicContact OE1-NZ 3.31Å; E146-K191 PolarHBondContact OE1-NZ 3.1Å; E146-K191 WeakPolarHBondContact OE2-CE 3.42Å; E146-K191 IonicContact OE2-NZ 3.7Å; E146-K191 PolarHBondContact OE2-NZ 3.17Å; K191-Y195 HydrophobicContact CB-CE2 4.5Å; K191-Y195 WeakPolarHBondContact O-CD2 3.43Å; K191-Y195 WeakPolarHBondContact O-CE2 3.45Å; K191-Y195 PolarHBondContact O-N 2.86Å |
| 192 | S | 92.2 | Very high | 89.2 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -74.2 | -34.3 | 175.7 | -166 | 0 | 0 | 0 | 0 | 113.5 | S190 Y195 W196 S256 R259 | S190-S192 PolarHBondContact O-N 3.35Å; S190-S192 PolarHBondContact OG-N 3.11Å; S192-Y195 PolarHBondContact O-N 3.28Å; S192-Y195 VanDerWaalsContact O-N 3.14Å; S192-W196 PolarHBondContact O-N 3.19Å; S192-W196 VanDerWaalsContact O-N 3.12Å; S192-S256 PolarHBondContact OG-O 3.38Å; S192-R259 VanDerWaalsContact C-NH1 3.28Å; S192-R259 WeakPolarHBondContact O-CD 3.43Å; S192-R259 PolarHBondContact O-NH1 3.05Å; S192-R259 PolarHBondContact OG-NH1 3.18Å |
| 193 | S | 92.5 | Very high | 89.4 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.3 | -34 | 177.5 | 61.4 | 0 | 0 | 0 | 0 | 111.5 | S180 E182 S190 Y195 W196 G197 | S180-S193 WeakPolarHBondContact OG-CB 3.23Å; E182-S193 VanDerWaalsContact OE1-CA 3.3Å; E182-S193 WeakPolarHBondContact OE1-CA 3.34Å; E182-S193 VanDerWaalsContact OE1-CB 3.22Å; E182-S193 WeakPolarHBondContact OE1-CB 3.39Å; S190-S193 PolarHBondContact N-OG 3.34Å; S190-S193 PolarHBondContact O-N 3.48Å; S190-S193 PolarHBondContact O-OG 2.96Å; S193-Y195 VanDerWaalsContact C-N 3.32Å; S193-Y195 PolarHBondContact O-N 3.37Å; S193-W196 WeakPolarHBondContact O-CB 3.17Å; S193-W196 PolarHBondContact O-N 3.37Å; S193-W196 VanDerWaalsContact O-N 3.12Å; S193-G197 PolarHBondContact O-N 3.09Å |
| 194 | D | 94.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.011 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -35.1 | 167.7 | -79.1 | -32.1 | 0 | 0 | 0 | 112.1 | L109 V118 F119 N120 L122 W196 G197 L198 | L109-D194 HydrophobicContact CD1-CB 4.12Å; L109-D194 HydrophobicContact CD2-CB 4.21Å; V118-D194 WeakPolarHBondContact CG1-OD2 3.17Å; F119-D194 WeakPolarHBondContact CA-OD2 3.31Å; F119-D194 WeakPolarHBondContact CB-OD2 3.49Å; F119-D194 PolarHBondContact N-OD2 3.31Å; N120-D194 PolarHBondContact N-OD1 3.45Å; N120-D194 PolarHBondContact N-OD2 3.14Å; L122-D194 HydrophobicContact CD1-CB 4.11Å; L122-D194 WeakPolarHBondContact CD1-O 3.22Å; D194-W196 VanDerWaalsContact C-N 3.31Å; D194-W196 PolarHBondContact O-N 2.91Å; D194-G197 PolarHBondContact O-N 3.44Å; D194-L198 WeakPolarHBondContact O-CB 3.28Å; D194-L198 PolarHBondContact O-N 3.3Å |
| 195 | Y | 94.9 | Very high | 90.1 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.2 | -27.2 | 172.2 | -59.2 | -32.7 | 0 | 0 | 0 | 113.6 | L109 H113 K191 S192 S193 G199 L251 I260 E262 L265 | L109-Y195 HydrophobicContact CD2-CD1 4.07Å; L109-Y195 HydrophobicContact CD2-CE1 3.97Å; H113-Y195 AromaticContact CE1-CE1 3.37Å; H113-Y195 WeakPolarHBondContact CE1-CE1 3.44Å; H113-Y195 AromaticContact CE1-CZ 2.95Å; H113-Y195 PolarHBondContact CE1-OH 2.7Å; H113-Y195 AromaticContact ND1-CE1 3.8Å; H113-Y195 AromaticContact ND1-CZ 3.61Å; H113-Y195 PolarHBondContact ND1-OH 3.16Å; H113-Y195 AromaticContact NE2-CD1 3.39Å; H113-Y195 WeakPolarHBondContact NE2-CD1 3.38Å; H113-Y195 AromaticContact NE2-CE1 2.83Å; H113-Y195 WeakPolarHBondContact NE2-CE1 3.45Å; H113-Y195 AromaticContact NE2-CE2 3.82Å; H113-Y195 AromaticContact NE2-CZ 3.06Å; H113-Y195 PolarHBondContact NE2-OH 3Å; K191-Y195 HydrophobicContact CB-CE2 4.5Å; K191-Y195 WeakPolarHBondContact O-CD2 3.43Å; K191-Y195 WeakPolarHBondContact O-CE2 3.45Å; K191-Y195 PolarHBondContact O-N 2.86Å; S192-Y195 PolarHBondContact O-N 3.28Å; S192-Y195 VanDerWaalsContact O-N 3.14Å; S193-Y195 VanDerWaalsContact C-N 3.32Å; S193-Y195 PolarHBondContact O-N 3.37Å; Y195-G199 PolarHBondContact O-N 3.35Å; Y195-G199 VanDerWaalsContact O-N 3.17Å; Y195-L251 VanDerWaalsContact O-CD2 3.27Å; Y195-L251 WeakPolarHBondContact O-CD2 3.39Å; Y195-I260 WeakPolarHBondContact CD2-O 3.07Å; Y195-E262 WeakPolarHBondContact OH-CB 3.44Å; Y195-E262 WeakPolarHBondContact OH-CG 3.26Å; Y195-L265 HydrophobicContact CD1-CD2 3.84Å; Y195-L265 HydrophobicContact CE1-CD2 3.89Å |
| 196 | W | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.5 | -49.9 | 169.1 | 172.2 | -85.8 | 0 | 0 | 0 | 111.6 | D179 P181 S192 S193 D194 L198 G199 C200 F212 I224 L252 K254 | D179-W196 PolarHBondContact O-NE1 3.37Å; P181-W196 HydrophobicContact CG-CD2 4.42Å; P181-W196 HydrophobicContact CG-CE3 4.22Å; P181-W196 HydrophobicContact CG-CH2 3.73Å; P181-W196 HydrophobicContact CG-CZ2 3.93Å; P181-W196 HydrophobicContact CG-CZ3 3.86Å; S192-W196 PolarHBondContact O-N 3.19Å; S192-W196 VanDerWaalsContact O-N 3.12Å; S193-W196 WeakPolarHBondContact O-CB 3.17Å; S193-W196 PolarHBondContact O-N 3.37Å; S193-W196 VanDerWaalsContact O-N 3.12Å; D194-W196 VanDerWaalsContact C-N 3.31Å; D194-W196 PolarHBondContact O-N 2.91Å; W196-L198 PolarHBondContact O-N 3.04Å; W196-G199 VanDerWaalsContact O-CA 3.32Å; W196-G199 WeakPolarHBondContact O-CA 3.35Å; W196-G199 PolarHBondContact O-N 3.09Å; W196-C200 PolarHBondContact O-N 2.9Å; W196-F212 AromaticContact CH2-CE2 3.7Å; W196-F212 HydrophobicContact CH2-CE2 3.7Å; W196-F212 AromaticContact CH2-CZ 3.88Å; W196-F212 HydrophobicContact CH2-CZ 3.88Å; W196-F212 AromaticContact CZ2-CD2 4Å; W196-F212 HydrophobicContact CZ2-CD2 4Å; W196-F212 AromaticContact CZ2-CE2 3.27Å; W196-F212 HydrophobicContact CZ2-CE2 3.27Å; W196-F212 AromaticContact CZ2-CZ 3.93Å; W196-F212 HydrophobicContact CZ2-CZ 3.93Å; W196-I224 HydrophobicContact CZ2-CG2 3.98Å; W196-L252 HydrophobicContact CD2-CD2 4.24Å; W196-L252 HydrophobicContact CE3-CD2 4.29Å; W196-L252 HydrophobicContact CZ2-CD2 4.48Å; W196-L252 VanDerWaalsContact CZ3-C 3.49Å; W196-L252 HydrophobicContact CZ3-CB 4.35Å; W196-L252 HydrophobicContact CZ3-CD2 4.44Å; W196-L252 VanDerWaalsContact CZ3-O 3.25Å; W196-L252 WeakPolarHBondContact CZ3-O 3.22Å; W196-K254 HydrophobicContact CH2-CD 3.85Å; W196-K254 HydrophobicContact CZ3-CD 4.08Å |
| 197 | G | 93.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.7 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S193 D194 G199 C200 L201 | S193-G197 PolarHBondContact O-N 3.09Å; D194-G197 PolarHBondContact O-N 3.44Å; G197-G199 PolarHBondContact O-N 3.02Å; G197-C200 PolarHBondContact O-N 2.96Å; G197-L201 VanDerWaalsContact O-CB 3.3Å; G197-L201 WeakPolarHBondContact O-CB 3.4Å; G197-L201 PolarHBondContact O-N 3.2Å |
| 198 | L | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 171.7 | -170.5 | 71.3 | 0 | 0 | 0 | 112.2 | I105 V106 L122 D194 W196 L201 F202 L251 L265 | I105-L198 HydrophobicContact CB-CD1 4.46Å; I105-L198 HydrophobicContact CG2-CD1 3.46Å; I105-L198 VanDerWaalsContact CG2-CD1 3.46Å; V106-L198 HydrophobicContact CG2-CD2 3.76Å; L122-L198 HydrophobicContact CD1-CB 4.2Å; D194-L198 WeakPolarHBondContact O-CB 3.28Å; D194-L198 PolarHBondContact O-N 3.3Å; W196-L198 PolarHBondContact O-N 3.04Å; L198-L201 PolarHBondContact O-N 3.21Å; L198-F202 HydrophobicContact CD1-CD1 4.08Å; L198-F202 HydrophobicContact CD1-CE1 3.33Å; L198-F202 HydrophobicContact CD1-CE2 4.37Å; L198-F202 HydrophobicContact CD1-CZ 3.5Å; L198-F202 HydrophobicContact CD2-CE2 4.18Å; L198-F202 HydrophobicContact CD2-CZ 3.94Å; L198-F202 HydrophobicContact CG-CD1 4.25Å; L198-F202 HydrophobicContact CG-CD2 4.47Å; L198-F202 HydrophobicContact CG-CE1 3.76Å; L198-F202 HydrophobicContact CG-CE2 3.99Å; L198-F202 HydrophobicContact CG-CZ 3.61Å; L198-F202 WeakPolarHBondContact O-CB 3.24Å; L198-F202 VanDerWaalsContact O-CD1 3.3Å; L198-F202 WeakPolarHBondContact O-CD1 3.38Å; L198-F202 VanDerWaalsContact O-CG 3.23Å; L198-F202 WeakPolarHBondContact O-CG 3.41Å; L198-F202 PolarHBondContact O-N 3.36Å; L198-L251 HydrophobicContact CD2-CD2 4.16Å; L198-L265 HydrophobicContact CD2-CD2 3.93Å |
| 199 | G | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y195 W196 G197 L201 F202 Y203 | Y195-G199 PolarHBondContact O-N 3.35Å; Y195-G199 VanDerWaalsContact O-N 3.17Å; W196-G199 VanDerWaalsContact O-CA 3.32Å; W196-G199 WeakPolarHBondContact O-CA 3.35Å; W196-G199 PolarHBondContact O-N 3.09Å; G197-G199 PolarHBondContact O-N 3.02Å; G199-L201 VanDerWaalsContact C-N 3.34Å; G199-L201 PolarHBondContact O-N 3.23Å; G199-F202 PolarHBondContact O-N 3.45Å; G199-Y203 WeakPolarHBondContact O-CB 3.36Å; G199-Y203 PolarHBondContact O-N 2.77Å |
| 200 | C | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 176.6 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | Y178 W196 G197 Y203 N204 P211 | Y178-C200 HydrophobicContact CD1-CB 3.63Å; Y178-C200 HydrophobicContact CE1-CB 4.26Å; Y178-C200 HydrophobicContact CG-CB 4.29Å; W196-C200 PolarHBondContact O-N 2.9Å; G197-C200 PolarHBondContact O-N 2.96Å; C200-Y203 PolarHBondContact O-N 3.3Å; C200-N204 WeakPolarHBondContact O-CB 3.47Å; C200-N204 PolarHBondContact O-N 3.27Å; C200-P211 HydrophobicContact CB-CG 4.04Å; C200-P211 VanDerWaalsContact SG-CG 3.52Å |
| 201 | L | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.8 | -42.7 | 176.2 | -177.7 | 68.4 | 0 | 0 | 0 | 112.6 | L83 I105 P124 F127 G197 L198 G199 Y203 N204 M205 | L83-L201 HydrophobicContact CD2-CD1 4.11Å; L83-L201 HydrophobicContact CD2-CD2 4.43Å; I105-L201 HydrophobicContact CD1-CD2 3.87Å; P124-L201 HydrophobicContact CB-CD1 4.08Å; P124-L201 HydrophobicContact CG-CD1 3.76Å; F127-L201 HydrophobicContact CD2-CD1 4.44Å; F127-L201 HydrophobicContact CD2-CD2 3.95Å; F127-L201 HydrophobicContact CE1-CD2 4.38Å; F127-L201 HydrophobicContact CE2-CD1 4.23Å; F127-L201 HydrophobicContact CE2-CD2 3.29Å; F127-L201 HydrophobicContact CE2-CG 4.38Å; F127-L201 HydrophobicContact CZ-CD2 3.52Å; G197-L201 VanDerWaalsContact O-CB 3.3Å; G197-L201 WeakPolarHBondContact O-CB 3.4Å; G197-L201 PolarHBondContact O-N 3.2Å; L198-L201 PolarHBondContact O-N 3.21Å; G199-L201 VanDerWaalsContact C-N 3.34Å; G199-L201 PolarHBondContact O-N 3.23Å; L201-Y203 VanDerWaalsContact C-N 3.35Å; L201-N204 PolarHBondContact O-N 3.44Å; L201-M205 HydrophobicContact CG-CE 4.28Å; L201-M205 WeakPolarHBondContact O-CB 3.41Å; L201-M205 WeakPolarHBondContact O-CG 3.38Å; L201-M205 PolarHBondContact O-N 3.12Å |
| 202 | F | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -66.7 | -39.1 | 177.1 | -74.6 | 8.6 | 0 | 0 | 0 | 111.3 | V98 G102 V106 L198 G199 M205 F206 F244 L247 L248 L251 W271 | V98-F202 HydrophobicContact CG1-CB 4.41Å; V98-F202 HydrophobicContact CG1-CG 4.41Å; G102-F202 VanDerWaalsContact CA-CE1 3.47Å; G102-F202 VanDerWaalsContact CA-CZ 3.46Å; V106-F202 HydrophobicContact CG2-CZ 4.22Å; L198-F202 HydrophobicContact CD1-CD1 4.08Å; L198-F202 HydrophobicContact CD1-CE1 3.33Å; L198-F202 HydrophobicContact CD1-CE2 4.37Å; L198-F202 HydrophobicContact CD1-CZ 3.5Å; L198-F202 HydrophobicContact CD2-CE2 4.18Å; L198-F202 HydrophobicContact CD2-CZ 3.94Å; L198-F202 HydrophobicContact CG-CD1 4.25Å; L198-F202 HydrophobicContact CG-CD2 4.47Å; L198-F202 HydrophobicContact CG-CE1 3.76Å; L198-F202 HydrophobicContact CG-CE2 3.99Å; L198-F202 HydrophobicContact CG-CZ 3.61Å; L198-F202 WeakPolarHBondContact O-CB 3.24Å; L198-F202 VanDerWaalsContact O-CD1 3.3Å; L198-F202 WeakPolarHBondContact O-CD1 3.38Å; L198-F202 VanDerWaalsContact O-CG 3.23Å; L198-F202 WeakPolarHBondContact O-CG 3.41Å; L198-F202 PolarHBondContact O-N 3.36Å; G199-F202 PolarHBondContact O-N 3.45Å; F202-M205 HydrophobicContact CD1-CE 3.44Å; F202-M205 VanDerWaalsContact CD1-CE 3.44Å; F202-M205 HydrophobicContact CE1-CE 3.87Å; F202-M205 HydrophobicContact CG-CE 4.43Å; F202-F206 PolarHBondContact O-N 2.98Å; F202-F244 HydrophobicContact CB-CE2 4.23Å; F202-F244 HydrophobicContact CB-CZ 4.33Å; F202-L247 HydrophobicContact CD2-CD2 4.2Å; F202-L247 HydrophobicContact CE2-CD2 4.13Å; F202-L248 HydrophobicContact CB-CD2 3.66Å; F202-L251 HydrophobicContact CD2-CD1 3.83Å; F202-L251 HydrophobicContact CE2-CD1 4.14Å; F202-W271 AromaticContact CE2-CH2 3.7Å; F202-W271 HydrophobicContact CE2-CH2 3.7Å; F202-W271 AromaticContact CE2-CZ2 3.99Å; F202-W271 HydrophobicContact CE2-CZ2 3.99Å; F202-W271 AromaticContact CZ-CH2 3.79Å; F202-W271 HydrophobicContact CZ-CH2 3.79Å; F202-W271 HydrophobicContact CZ-CZ2 4.33Å |
| 203 | Y | 94.2 | Very high | 93.1 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 1% | 0.012 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.1 | -51.9 | 171.9 | -174.4 | -72.9 | 0 | 0 | 0 | 110.6 | G199 C200 L201 M205 F206 F207 H209 P211 P229 N230 L248 L252 | G199-Y203 WeakPolarHBondContact O-CB 3.36Å; G199-Y203 PolarHBondContact O-N 2.77Å; C200-Y203 PolarHBondContact O-N 3.3Å; L201-Y203 VanDerWaalsContact C-N 3.35Å; Y203-M205 PolarHBondContact O-N 2.68Å; Y203-F206 PolarHBondContact O-N 3.4Å; Y203-F206 VanDerWaalsContact O-N 3.13Å; Y203-F207 HydrophobicContact CD1-CB 4.21Å; Y203-F207 AromaticContact CD1-CD2 3.69Å; Y203-F207 HydrophobicContact CD1-CD2 3.69Å; Y203-F207 HydrophobicContact CD1-CG 4.36Å; Y203-F207 AromaticContact CD2-CD2 3.68Å; Y203-F207 HydrophobicContact CD2-CD2 3.68Å; Y203-F207 AromaticContact CD2-CE2 3.75Å; Y203-F207 HydrophobicContact CD2-CE2 3.75Å; Y203-F207 HydrophobicContact CE1-CB 3.88Å; Y203-F207 AromaticContact CE1-CD2 3.59Å; Y203-F207 HydrophobicContact CE1-CD2 3.59Å; Y203-F207 HydrophobicContact CE1-CE2 4.43Å; Y203-F207 AromaticContact CE1-CG 3.98Å; Y203-F207 HydrophobicContact CE1-CG 3.98Å; Y203-F207 AromaticContact CE2-CD2 3.61Å; Y203-F207 HydrophobicContact CE2-CD2 3.61Å; Y203-F207 AromaticContact CE2-CE2 3.61Å; Y203-F207 HydrophobicContact CE2-CE2 3.61Å; Y203-F207 AromaticContact CG-CD2 3.72Å; Y203-F207 HydrophobicContact CG-CD2 3.72Å; Y203-F207 HydrophobicContact CG-CE2 4.24Å; Y203-F207 AromaticContact CZ-CD2 3.56Å; Y203-F207 AromaticContact CZ-CE2 3.97Å; Y203-F207 WeakPolarHBondContact O-CD2 3.23Å; Y203-F207 PolarHBondContact O-N 3.38Å; Y203-H209 VanDerWaalsContact CD1-O 3.26Å; Y203-H209 WeakPolarHBondContact CD1-O 3.45Å; Y203-H209 AromaticContact CE1-CE1 3.78Å; Y203-H209 AromaticContact CE1-ND1 3.99Å; Y203-H209 WeakPolarHBondContact CE1-O 2.87Å; Y203-P211 HydrophobicContact CD1-CB 3.84Å; Y203-P211 HydrophobicContact CD1-CG 4.24Å; Y203-P211 HydrophobicContact CD2-CB 3.89Å; Y203-P211 VanDerWaalsContact CE1-CA 3.48Å; Y203-P211 HydrophobicContact CE1-CB 4.01Å; Y203-P211 HydrophobicContact CE2-CB 4.03Å; Y203-P211 HydrophobicContact CG-CB 3.8Å; Y203-P211 HydrophobicContact CG-CG 4.16Å; Y203-P229 HydrophobicContact CE2-CB 4.12Å; Y203-N230 PolarHBondContact OH-O 3.49Å; Y203-L248 HydrophobicContact CD2-CD1 4.37Å; Y203-L252 HydrophobicContact CD2-CD1 4.31Å |
| 204 | N | 93.7 | Very high | 92.8 | Very high | 12 Ų | 12 | 13 Ų | 13 | 6% | 0.064 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.2 | -44.6 | 179.5 | -174.1 | 16 | 0 | 0 | 0 | 112.3 | Y178 C200 L201 F206 F207 G208 H209 | Y178-N204 HydrophobicContact CE1-CB 4.45Å; Y178-N204 PolarHBondContact OH-ND2 3.06Å; C200-N204 WeakPolarHBondContact O-CB 3.47Å; C200-N204 PolarHBondContact O-N 3.27Å; L201-N204 PolarHBondContact O-N 3.44Å; N204-F206 PolarHBondContact O-N 3.49Å; N204-F207 PolarHBondContact O-N 3.41Å; N204-G208 WeakPolarHBondContact O-CA 3.37Å; N204-G208 PolarHBondContact O-N 3.06Å; N204-G208 VanDerWaalsContact OD1-C 3.24Å; N204-H209 WeakPolarHBondContact CA-O 3.32Å; N204-H209 VanDerWaalsContact OD1-CA 3.32Å; N204-H209 WeakPolarHBondContact OD1-CA 3.32Å; N204-H209 PolarHBondContact OD1-N 3.48Å |
| 205 | M | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.4 | -39.5 | 174.6 | -82.8 | -161.6 | -80.7 | 0 | 0 | 112.6 | L83 I87 L93 V98 F101 I105 L201 F202 Y203 | L83-M205 HydrophobicContact CD1-CG 4.46Å; L83-M205 HydrophobicContact CD1-SD 4.07Å; L83-M205 HydrophobicContact CD2-CG 4.43Å; L83-M205 HydrophobicContact CD2-SD 4Å; I87-M205 HydrophobicContact CD1-CG 3.81Å; I87-M205 HydrophobicContact CG1-CG 4.24Å; L93-M205 WeakPolarHBondContact CA-O 3.48Å; L93-M205 WeakPolarHBondContact CB-O 3.29Å; L93-M205 HydrophobicContact CD1-CB 4.05Å; L93-M205 HydrophobicContact CD1-CG 3.85Å; L93-M205 HydrophobicContact CD1-SD 4.02Å; L93-M205 WeakPolarHBondContact CG-O 3.35Å; L93-M205 PolarHBondContact N-O 2.75Å; V98-M205 HydrophobicContact CG1-CB 4.45Å; V98-M205 HydrophobicContact CG1-CE 4.13Å; V98-M205 HydrophobicContact CG2-CB 4.07Å; F101-M205 HydrophobicContact CB-SD 4.02Å; F101-M205 HydrophobicContact CD2-SD 4.14Å; I105-M205 HydrophobicContact CD1-CE 4.13Å; L201-M205 HydrophobicContact CG-CE 4.28Å; L201-M205 WeakPolarHBondContact O-CB 3.41Å; L201-M205 WeakPolarHBondContact O-CG 3.38Å; L201-M205 PolarHBondContact O-N 3.12Å; F202-M205 HydrophobicContact CD1-CE 3.44Å; F202-M205 VanDerWaalsContact CD1-CE 3.44Å; F202-M205 HydrophobicContact CE1-CE 3.87Å; F202-M205 HydrophobicContact CG-CE 4.43Å; Y203-M205 PolarHBondContact O-N 2.68Å |
| 206 | F | 92.5 | Very high | 92.1 | Very high | 10 Ų | 10 | 18.7 Ų | 18.7 | 4% | 0.044 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -84.6 | -42 | -178 | -172.6 | -94.2 | 0 | 0 | 0 | 113.8 | F92 E95 V98 F202 Y203 N204 V236 P240 F244 | F92-F206 WeakPolarHBondContact CB-O 3.25Å; E95-F206 HydrophobicContact CB-CE2 4.15Å; V98-F206 HydrophobicContact CG2-CB 4.33Å; V98-F206 HydrophobicContact CG2-CD2 4.46Å; F202-F206 PolarHBondContact O-N 2.98Å; Y203-F206 PolarHBondContact O-N 3.4Å; Y203-F206 VanDerWaalsContact O-N 3.13Å; N204-F206 PolarHBondContact O-N 3.49Å; F206-V236 HydrophobicContact CE1-CG1 3.99Å; F206-V236 HydrophobicContact CZ-CG1 4.22Å; F206-P240 HydrophobicContact CE1-CB 3.9Å; F206-P240 HydrophobicContact CE1-CG 4.39Å; F206-P240 HydrophobicContact CZ-CB 4.01Å; F206-F244 HydrophobicContact CB-CE1 3.56Å; F206-F244 HydrophobicContact CB-CZ 3.92Å; F206-F244 HydrophobicContact CD1-CE1 4.07Å; F206-F244 HydrophobicContact CD2-CD1 4.12Å; F206-F244 AromaticContact CD2-CE1 3.7Å; F206-F244 HydrophobicContact CD2-CE1 3.7Å; F206-F244 HydrophobicContact CE2-CD1 4.42Å; F206-F244 HydrophobicContact CE2-CE1 4.41Å; F206-F244 HydrophobicContact CG-CD1 4.25Å; F206-F244 AromaticContact CG-CE1 3.5Å; F206-F244 HydrophobicContact CG-CE1 3.5Å; F206-F244 HydrophobicContact CG-CZ 4.33Å |
| 207 | F | 90.3 | Very high | 91.7 | Very high | 9 Ų | 9 | 22 Ų | 22 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -96.1 | -13.7 | -172.5 | -69.7 | -70.8 | 0 | 0 | 0 | 114.8 | Y203 N204 H209 N233 V236 P240 L248 | Y203-F207 HydrophobicContact CD1-CB 4.21Å; Y203-F207 AromaticContact CD1-CD2 3.69Å; Y203-F207 HydrophobicContact CD1-CD2 3.69Å; Y203-F207 HydrophobicContact CD1-CG 4.36Å; Y203-F207 AromaticContact CD2-CD2 3.68Å; Y203-F207 HydrophobicContact CD2-CD2 3.68Å; Y203-F207 AromaticContact CD2-CE2 3.75Å; Y203-F207 HydrophobicContact CD2-CE2 3.75Å; Y203-F207 HydrophobicContact CE1-CB 3.88Å; Y203-F207 AromaticContact CE1-CD2 3.59Å; Y203-F207 HydrophobicContact CE1-CD2 3.59Å; Y203-F207 HydrophobicContact CE1-CE2 4.43Å; Y203-F207 AromaticContact CE1-CG 3.98Å; Y203-F207 HydrophobicContact CE1-CG 3.98Å; Y203-F207 AromaticContact CE2-CD2 3.61Å; Y203-F207 HydrophobicContact CE2-CD2 3.61Å; Y203-F207 AromaticContact CE2-CE2 3.61Å; Y203-F207 HydrophobicContact CE2-CE2 3.61Å; Y203-F207 AromaticContact CG-CD2 3.72Å; Y203-F207 HydrophobicContact CG-CD2 3.72Å; Y203-F207 HydrophobicContact CG-CE2 4.24Å; Y203-F207 AromaticContact CZ-CD2 3.56Å; Y203-F207 AromaticContact CZ-CE2 3.97Å; Y203-F207 WeakPolarHBondContact O-CD2 3.23Å; Y203-F207 PolarHBondContact O-N 3.38Å; N204-F207 PolarHBondContact O-N 3.41Å; F207-H209 VanDerWaalsContact C-N 3.29Å; F207-H209 PolarHBondContact O-CD2 3.06Å; F207-H209 PolarHBondContact O-N 3.02Å; F207-N233 HydrophobicContact CD1-CB 3.71Å; F207-N233 HydrophobicContact CE1-CB 4.06Å; F207-V236 HydrophobicContact CD1-CG2 3.93Å; F207-P240 HydrophobicContact CZ-CG 4.18Å; F207-L248 HydrophobicContact CE2-CD1 4.34Å |
| 208 | G | 88.6 | Confident | 91.4 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 33% | 0.33 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 79.3 | 6.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R91 N204 | R91-G208 WeakPolarHBondContact O-CA 3.18Å; N204-G208 WeakPolarHBondContact O-CA 3.37Å; N204-G208 PolarHBondContact O-N 3.06Å; N204-G208 VanDerWaalsContact OD1-C 3.24Å |
| 209 | H | 89.7 | Confident | 91.2 | Very high | 71 Ų | 71 | 32.6 Ų | 32.6 | 33% | 0.329 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -152.4 | 154.9 | 175.5 | 67.1 | 88.5 | 0 | 0 | 0 | 109.7 | Y203 N204 F207 N233 | Y203-H209 VanDerWaalsContact CD1-O 3.26Å; Y203-H209 WeakPolarHBondContact CD1-O 3.45Å; Y203-H209 AromaticContact CE1-CE1 3.78Å; Y203-H209 AromaticContact CE1-ND1 3.99Å; Y203-H209 WeakPolarHBondContact CE1-O 2.87Å; N204-H209 WeakPolarHBondContact CA-O 3.32Å; N204-H209 VanDerWaalsContact OD1-CA 3.32Å; N204-H209 WeakPolarHBondContact OD1-CA 3.32Å; N204-H209 PolarHBondContact OD1-N 3.48Å; F207-H209 VanDerWaalsContact C-N 3.29Å; F207-H209 PolarHBondContact O-CD2 3.06Å; F207-H209 PolarHBondContact O-N 3.02Å; H209-N233 PolarHBondContact CD2-ND2 3.5Å; H209-N233 PolarHBondContact NE2-ND2 3.42Å |
| 210 | P | 91.9 | Very high | 91.1 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 10% | 0.104 | 21% | 0.209 | C | C | . | . | trans | -62.8 | 160.8 | 175.3 | 29.7 | -39.3 | 0 | 0 | 0 | 112.7 | E177 F212 | E177-P210 HydrophobicContact CB-CB 3.97Å; E177-P210 HydrophobicContact CB-CG 4.19Å; E177-P210 HydrophobicContact CG-CG 4.39Å; P210-F212 VanDerWaalsContact C-N 3.3Å; P210-F212 WeakPolarHBondContact CG-O 3.38Å; P210-F212 PolarHBondContact O-N 3.25Å | ||
| 211 | P | 92.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -69.7 | -26.2 | 176.2 | 25.6 | -31.3 | 0 | 0 | 0 | 113.5 | C200 Y203 P229 L252 | C200-P211 HydrophobicContact CB-CG 4.04Å; C200-P211 VanDerWaalsContact SG-CG 3.52Å; Y203-P211 HydrophobicContact CD1-CB 3.84Å; Y203-P211 HydrophobicContact CD1-CG 4.24Å; Y203-P211 HydrophobicContact CD2-CB 3.89Å; Y203-P211 VanDerWaalsContact CE1-CA 3.48Å; Y203-P211 HydrophobicContact CE1-CB 4.01Å; Y203-P211 HydrophobicContact CE2-CB 4.03Å; Y203-P211 HydrophobicContact CG-CB 3.8Å; Y203-P211 HydrophobicContact CG-CG 4.16Å; P211-P229 HydrophobicContact CB-CB 3.88Å; P211-L252 HydrophobicContact CB-CD1 4.31Å; P211-L252 HydrophobicContact CG-CD1 4.38Å |
| 212 | F | 93 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -128.9 | 140.4 | -179.4 | -43.6 | -66.7 | 0 | 0 | 0 | 109.1 | W196 P210 L220 N223 I224 R227 P229 L252 | W196-F212 AromaticContact CH2-CE2 3.7Å; W196-F212 HydrophobicContact CH2-CE2 3.7Å; W196-F212 AromaticContact CH2-CZ 3.88Å; W196-F212 HydrophobicContact CH2-CZ 3.88Å; W196-F212 AromaticContact CZ2-CD2 4Å; W196-F212 HydrophobicContact CZ2-CD2 4Å; W196-F212 AromaticContact CZ2-CE2 3.27Å; W196-F212 HydrophobicContact CZ2-CE2 3.27Å; W196-F212 AromaticContact CZ2-CZ 3.93Å; W196-F212 HydrophobicContact CZ2-CZ 3.93Å; P210-F212 VanDerWaalsContact C-N 3.3Å; P210-F212 WeakPolarHBondContact CG-O 3.38Å; P210-F212 PolarHBondContact O-N 3.25Å; F212-L220 HydrophobicContact CB-CD1 4.31Å; F212-N223 HydrophobicContact CB-CB 4.38Å; F212-I224 HydrophobicContact CB-CG1 3.68Å; F212-I224 HydrophobicContact CD2-CG1 3.87Å; F212-I224 HydrophobicContact CG-CG1 3.89Å; F212-R227 WeakPolarHBondContact CE1-O 3.21Å; F212-P229 HydrophobicContact CE1-CB 4.26Å; F212-P229 HydrophobicContact CZ-CB 4.18Å; F212-P229 HydrophobicContact CZ-CG 4.48Å; F212-L252 HydrophobicContact CE2-CD2 4.41Å | ||
| 213 | S | 89.5 | Confident | 90.6 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 42% | 0.42 | 25% | 0.247 | S | C | . | . | trans | -154.4 | 154.6 | 179.9 | 61.8 | 0 | 0 | 0 | 0 | 108.3 | N223 | S213-N223 PolarHBondContact O-ND2 3.28Š| ||
| 214 | G | 87.1 | Confident | 90.5 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | trans | -152.8 | 155.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | S216 | G214-S216 VanDerWaalsContact C-N 3.31Š| ||
| 215 | G | 85.6 | Confident | 90.4 | Very high | 79 Ų | 79 | 44.6 Ų | 44.6 | 81% | 0.814 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -78.2 | -15.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E219 | G215-E219 PolarHBondContact N-OE2 3.13Š|
| 216 | S | 89.3 | Confident | 90.2 | Very high | 55 Ų | 55 | 50.6 Ų | 50.6 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -137.6 | 162 | 169.3 | 72.5 | 0 | 0 | 0 | 0 | 110.6 | G214 E218 E219 L220 | G214-S216 VanDerWaalsContact C-N 3.31Å; S216-E218 VanDerWaalsContact C-N 3.28Å; S216-E218 PolarHBondContact O-N 3Å; S216-E219 PolarHBondContact O-N 3.2Å; S216-E219 PolarHBondContact OG-N 2.92Å; S216-L220 PolarHBondContact O-N 3.44Å |
| 217 | Q | 86.3 | Confident | 90 | Very high | 71 Ų | 71 | 55.7 Ų | 55.7 | 33% | 0.332 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -54.3 | -46.2 | 175 | -165.1 | 65.9 | 54.9 | 0 | 0 | 111.3 | H175 E219 L220 D221 | H175-Q217 PolarHBondContact O-NE2 3.02Å; Q217-E219 VanDerWaalsContact C-N 3.25Å; Q217-E219 PolarHBondContact O-N 2.84Å; Q217-L220 WeakPolarHBondContact O-CB 3.31Å; Q217-L220 PolarHBondContact O-N 3.31Å; Q217-L220 VanDerWaalsContact O-N 3.08Å; Q217-D221 PolarHBondContact NE2-OD1 2.68Å; Q217-D221 WeakPolarHBondContact O-CB 3.49Å; Q217-D221 PolarHBondContact O-N 3.05Å |
| 218 | E | 87.9 | Confident | 89.9 | Confident | 142 Ų | 142 | 61 Ų | 61 | 66% | 0.664 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.3 | -32.3 | 177.4 | -58.3 | 172.3 | 178.3 | 0 | 0 | 113.3 | S216 R222 | S216-E218 VanDerWaalsContact C-N 3.28Å; S216-E218 PolarHBondContact O-N 3Å; E218-R222 WeakPolarHBondContact O-CB 3.36Å; E218-R222 VanDerWaalsContact O-CG 3.24Å; E218-R222 WeakPolarHBondContact O-CG 3.29Å; E218-R222 PolarHBondContact O-N 3.24Å; E218-R222 PolarHBondContact O-NE 3.15Å |
| 219 | E | 90.4 | Very high | 89.8 | Confident | 81 Ų | 81 | 59.8 Ų | 59.8 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -75.8 | -41 | 174.1 | -167.4 | -172.1 | -178.8 | 0 | 0 | 111.7 | G215 S216 Q217 N223 | G215-E219 PolarHBondContact N-OE2 3.13Å; S216-E219 PolarHBondContact O-N 3.2Å; S216-E219 PolarHBondContact OG-N 2.92Å; Q217-E219 VanDerWaalsContact C-N 3.25Å; Q217-E219 PolarHBondContact O-N 2.84Å; E219-N223 WeakPolarHBondContact O-CB 3.41Å; E219-N223 PolarHBondContact O-N 2.87Å; E219-N223 PolarHBondContact O-ND2 3.49Å |
| 220 | L | 91.8 | Very high | 89.5 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.073 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.1 | -51.1 | 176.1 | 179.8 | 58.3 | 0 | 0 | 0 | 111 | E177 F212 S216 Q217 R222 N223 I224 | E177-L220 HydrophobicContact CB-CD1 4.44Å; E177-L220 HydrophobicContact CG-CD1 3.98Å; E177-L220 HydrophobicContact CG-CD2 3.96Å; F212-L220 HydrophobicContact CB-CD1 4.31Å; S216-L220 PolarHBondContact O-N 3.44Å; Q217-L220 WeakPolarHBondContact O-CB 3.31Å; Q217-L220 PolarHBondContact O-N 3.31Å; Q217-L220 VanDerWaalsContact O-N 3.08Å; L220-R222 PolarHBondContact O-N 3.49Å; L220-N223 WeakPolarHBondContact O-CA 3.39Å; L220-N223 WeakPolarHBondContact O-CB 3.43Å; L220-N223 PolarHBondContact O-N 3.36Å; L220-N223 VanDerWaalsContact O-N 3.08Å; L220-I224 HydrophobicContact CD1-CD1 3.81Å; L220-I224 HydrophobicContact CD1-CG1 4.2Å; L220-I224 HydrophobicContact CG-CD1 3.86Å; L220-I224 WeakPolarHBondContact O-CG1 3.32Å; L220-I224 PolarHBondContact O-N 3.19Å |
| 221 | D | 91.2 | Very high | 89.1 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 15% | 0.15 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 179.5 | -64 | -2.7 | 0 | 0 | 0 | 110.8 | H175 I184 Q217 N223 I224 L225 | H175-D221 IonicContact CE1-OD2 3.48Å; H175-D221 PolarHBondContact CE1-OD2 2.79Å; H175-D221 IonicContact CG-OD1 3Å; H175-D221 VanDerWaalsContact ND1-CG 3.31Å; H175-D221 IonicContact ND1-OD1 3.79Å; H175-D221 PolarHBondContact ND1-OD1 3.46Å; H175-D221 IonicContact ND1-OD2 2.69Å; H175-D221 PolarHBondContact ND1-OD2 3.38Å; I184-D221 HydrophobicContact CG2-CB 3.86Å; Q217-D221 PolarHBondContact NE2-OD1 2.68Å; Q217-D221 WeakPolarHBondContact O-CB 3.49Å; Q217-D221 PolarHBondContact O-N 3.05Å; D221-N223 VanDerWaalsContact C-N 3.32Å; D221-N223 PolarHBondContact O-N 3.04Å; D221-I224 PolarHBondContact O-N 2.95Å; D221-L225 WeakPolarHBondContact O-CB 3.42Å; D221-L225 VanDerWaalsContact O-CG 3.3Å; D221-L225 WeakPolarHBondContact O-CG 3.46Å; D221-L225 PolarHBondContact O-N 3.42Å |
| 222 | R | 91.6 | Very high | 88 | Confident | 142 Ų | 142 | 65.3 Ų | 65.3 | 54% | 0.536 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 174.2 | -79.8 | 179 | -66.5 | 156 | 0.8 | 112.9 | E218 L220 N226 | E218-R222 WeakPolarHBondContact O-CB 3.36Å; E218-R222 VanDerWaalsContact O-CG 3.24Å; E218-R222 WeakPolarHBondContact O-CG 3.29Å; E218-R222 PolarHBondContact O-N 3.24Å; E218-R222 PolarHBondContact O-NE 3.15Å; L220-R222 PolarHBondContact O-N 3.49Å; R222-N226 WeakPolarHBondContact O-CB 3.28Å; R222-N226 PolarHBondContact O-N 3.47Å; R222-N226 PolarHBondContact O-ND2 3.03Å |
| 223 | N | 92.6 | Very high | 86.7 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 11% | 0.112 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69.2 | -45.3 | 175.6 | -80.6 | -36.1 | 0 | 0 | 0 | 111.4 | F212 S213 E219 L220 D221 L225 R227 | F212-N223 HydrophobicContact CB-CB 4.38Å; S213-N223 PolarHBondContact O-ND2 3.28Å; E219-N223 WeakPolarHBondContact O-CB 3.41Å; E219-N223 PolarHBondContact O-N 2.87Å; E219-N223 PolarHBondContact O-ND2 3.49Å; L220-N223 WeakPolarHBondContact O-CA 3.39Å; L220-N223 WeakPolarHBondContact O-CB 3.43Å; L220-N223 PolarHBondContact O-N 3.36Å; L220-N223 VanDerWaalsContact O-N 3.08Å; D221-N223 VanDerWaalsContact C-N 3.32Å; D221-N223 PolarHBondContact O-N 3.04Å; N223-L225 VanDerWaalsContact C-N 3.33Å; N223-L225 PolarHBondContact O-N 3.21Å; N223-R227 HydrophobicContact CB-CB 4.33Å; N223-R227 VanDerWaalsContact O-CB 3.3Å; N223-R227 WeakPolarHBondContact O-CB 3.39Å; N223-R227 PolarHBondContact O-N 2.79Å; N223-R227 WeakPolarHBondContact OD1-CD 3.29Å |
| 224 | I | 91.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 178.3 | -68.5 | 169.5 | 0 | 0 | 0 | 111.1 | S176 P181 I184 W196 F212 L220 D221 K254 | S176-I224 WeakPolarHBondContact O-CD1 3.31Å; P181-I224 HydrophobicContact CG-CG2 4.25Å; I184-I224 HydrophobicContact CD1-CB 3.74Å; I184-I224 HydrophobicContact CD1-CD1 3.58Å; I184-I224 HydrophobicContact CD1-CG1 4.25Å; I184-I224 HydrophobicContact CD1-CG2 3.58Å; W196-I224 HydrophobicContact CZ2-CG2 3.98Å; F212-I224 HydrophobicContact CB-CG1 3.68Å; F212-I224 HydrophobicContact CD2-CG1 3.87Å; F212-I224 HydrophobicContact CG-CG1 3.89Å; L220-I224 HydrophobicContact CD1-CD1 3.81Å; L220-I224 HydrophobicContact CD1-CG1 4.2Å; L220-I224 HydrophobicContact CG-CD1 3.86Å; L220-I224 WeakPolarHBondContact O-CG1 3.32Å; L220-I224 PolarHBondContact O-N 3.19Å; D221-I224 PolarHBondContact O-N 2.95Å; I224-K254 PolarHBondContact O-NZ 3.39Å |
| 225 | L | 91.3 | Very high | 84.1 | Confident | 62 Ų | 62 | 74.1 Ų | 74.1 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.5 | -54.6 | 174.6 | -67.3 | 170.3 | 0 | 0 | 0 | 112.5 | P181 I184 D221 N223 K254 | P181-L225 HydrophobicContact CB-CD2 4.19Å; I184-L225 HydrophobicContact CG2-CD1 4.29Å; I184-L225 HydrophobicContact CG2-CG 4.33Å; D221-L225 WeakPolarHBondContact O-CB 3.42Å; D221-L225 VanDerWaalsContact O-CG 3.3Å; D221-L225 WeakPolarHBondContact O-CG 3.46Å; D221-L225 PolarHBondContact O-N 3.42Å; N223-L225 VanDerWaalsContact C-N 3.33Å; N223-L225 PolarHBondContact O-N 3.21Å; L225-K254 WeakPolarHBondContact O-CE 3.02Å |
| 226 | N | 89.5 | Confident | 83.1 | Confident | 126 Ų | 126 | 71.5 Ų | 71.5 | 67% | 0.674 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -108.3 | -20.8 | -160.8 | -55.8 | -80.3 | 0 | 0 | 0 | 116.1 | R222 | R222-N226 WeakPolarHBondContact O-CB 3.28Å; R222-N226 PolarHBondContact O-N 3.47Å; R222-N226 PolarHBondContact O-ND2 3.03Å |
| 227 | R | 89.1 | Confident | 81.7 | Confident | 117 Ų | 117 | 74.7 Ų | 74.7 | 44% | 0.442 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -96.2 | 136.2 | -170.3 | -178 | 176.2 | 171 | -174.8 | -2 | 111.6 | F212 N223 K254 | F212-R227 WeakPolarHBondContact CE1-O 3.21Å; N223-R227 HydrophobicContact CB-CB 4.33Å; N223-R227 VanDerWaalsContact O-CB 3.3Å; N223-R227 WeakPolarHBondContact O-CB 3.39Å; N223-R227 PolarHBondContact O-N 2.79Å; N223-R227 WeakPolarHBondContact OD1-CD 3.29Å; R227-K254 WeakPolarHBondContact O-CE 3.39Å; R227-K254 PolarHBondContact O-NZ 3.36Å |
| 228 | E | 87.4 | Confident | 80.9 | Confident | 120 Ų | 120 | 77 Ų | 77 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 143.6 | 172.2 | -72 | -59.5 | 120.2 | 0 | 0 | 112 | K254 | E228-K254 WeakPolarHBondContact OE1-CE 3.47Š|
| 229 | P | 86.2 | Confident | 80.4 | Confident | 8 Ų | 8 | 75.2 Ų | 75.2 | 5% | 0.052 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -70 | 136.1 | -178.3 | 29.1 | -35.8 | 0 | 0 | 0 | 112.3 | Y203 P211 F212 Y231 L252 | Y203-P229 HydrophobicContact CE2-CB 4.12Å; P211-P229 HydrophobicContact CB-CB 3.88Å; F212-P229 HydrophobicContact CE1-CB 4.26Å; F212-P229 HydrophobicContact CZ-CB 4.18Å; F212-P229 HydrophobicContact CZ-CG 4.48Å; P229-Y231 HydrophobicContact CG-CE1 4.43Å; P229-Y231 HydrophobicContact CG-CE2 3.95Å; P229-Y231 WeakPolarHBondContact CG-OH 3.44Å; P229-Y231 WeakPolarHBondContact O-CD2 3.35Å; P229-Y231 PolarHBondContact O-N 3.32Å; P229-L252 HydrophobicContact CB-CD1 4.08Å; P229-L252 HydrophobicContact CG-CB 4.41Å; P229-L252 HydrophobicContact CG-CD1 3.94Å |
| 230 | N | 84.4 | Confident | 80.2 | Confident | 87 Ų | 87 | 72.3 Ų | 72.3 | 47% | 0.465 | 39% | 0.391 | S | S | . | . | trans | -86.9 | 93.2 | -177.6 | 177.3 | 27.2 | 0 | 0 | 0 | 112.8 | Y203 S232 | Y203-N230 PolarHBondContact OH-O 3.49Å; N230-S232 PolarHBondContact ND2-O 3.01Å; N230-S232 PolarHBondContact O-N 3.38Å; N230-S232 WeakPolarHBondContact OD1-CB 3.29Å; N230-S232 PolarHBondContact OD1-N 3.49Å; N230-S232 PolarHBondContact OD1-O 3.21Å | ||
| 231 | Y | 82.4 | Confident | 80.1 | Confident | 34 Ų | 34 | 73.3 Ų | 73.3 | 13% | 0.133 | 40% | 0.399 | C | S | . | . | trans | -63.1 | 0.6 | 174.3 | -56.2 | -72.9 | 0 | 0 | 0 | 116 | P229 K245 L248 T249 | P229-Y231 HydrophobicContact CG-CE1 4.43Å; P229-Y231 HydrophobicContact CG-CE2 3.95Å; P229-Y231 WeakPolarHBondContact CG-OH 3.44Å; P229-Y231 WeakPolarHBondContact O-CD2 3.35Å; P229-Y231 PolarHBondContact O-N 3.32Å; Y231-K245 HydrophobicContact CD1-CG 4.13Å; Y231-K245 HydrophobicContact CE1-CG 4.41Å; Y231-K245 HydrophobicContact CG-CD 4.3Å; Y231-K245 HydrophobicContact CG-CG 4.21Å; Y231-L248 HydrophobicContact CD1-CD1 4.33Å; Y231-L248 HydrophobicContact CE1-CB 3.81Å; Y231-L248 HydrophobicContact CE1-CD1 4.07Å; Y231-T249 WeakPolarHBondContact OH-CA 3.49Å; Y231-T249 PolarHBondContact OH-OG1 2.86Å | ||
| 232 | S | 69.4 | Low | 80 | Confident | 90 Ų | 90 | 76.8 Ų | 76.8 | 63% | 0.629 | 43% | 0.426 | S | S | * | . | trans | -114.7 | 88.5 | -177.9 | -50.6 | 0 | 0 | 0 | 0 | 111.4 | N230 | N230-S232 PolarHBondContact ND2-O 3.01Å; N230-S232 PolarHBondContact O-N 3.38Å; N230-S232 WeakPolarHBondContact OD1-CB 3.29Å; N230-S232 PolarHBondContact OD1-N 3.49Å; N230-S232 PolarHBondContact OD1-O 3.21Å | ||
| 233 | N | 66 | Low | 80 | Confident | 25 Ų | 25 | 72.9 Ų | 72.9 | 13% | 0.134 | 42% | 0.415 | C | S | . | . | trans | -106.6 | 117 | 173.4 | -178.1 | -19.1 | 0 | 0 | 0 | 110.1 | F207 H209 N235 V236 | F207-N233 HydrophobicContact CD1-CB 3.71Å; F207-N233 HydrophobicContact CE1-CB 4.06Å; H209-N233 PolarHBondContact CD2-ND2 3.5Å; H209-N233 PolarHBondContact NE2-ND2 3.42Å; N233-N235 PolarHBondContact O-N 3.15Å; N233-N235 WeakPolarHBondContact OD1-CB 3.46Å; N233-N235 PolarHBondContact OD1-N 3.31Å; N233-N235 PolarHBondContact OD1-ND2 3.13Å; N233-V236 HydrophobicContact CB-CG2 4.36Å; N233-V236 PolarHBondContact O-N 3.29Å | ||
| 234 | P | 59.5 | Low | 80 | Confident | 125 Ų | 125 | 71.9 Ų | 71.9 | 81% | 0.812 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -13.5 | -176.7 | 29.4 | -36.3 | 0 | 0 | 0 | 114.3 | V236 | P234-V236 VanDerWaalsContact C-N 3.33Š|
| 235 | N | 62.9 | Low | 80 | Confident | 130 Ų | 130 | 76.4 Ų | 76.4 | 70% | 0.695 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13.1 | 178.7 | -62.5 | -43.1 | 0 | 0 | 0 | 113.3 | N233 | N233-N235 PolarHBondContact O-N 3.15Å; N233-N235 WeakPolarHBondContact OD1-CB 3.46Å; N233-N235 PolarHBondContact OD1-N 3.31Å; N233-N235 PolarHBondContact OD1-ND2 3.13Å |
| 236 | V | 63.2 | Low | 80.1 | Confident | 23 Ų | 23 | 75.8 Ų | 75.8 | 14% | 0.139 | 43% | 0.43 | C | S | . | . | trans | -97.3 | 107.6 | 178.7 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | F206 F207 N233 P234 I238 | F206-V236 HydrophobicContact CE1-CG1 3.99Å; F206-V236 HydrophobicContact CZ-CG1 4.22Å; F207-V236 HydrophobicContact CD1-CG2 3.93Å; N233-V236 HydrophobicContact CB-CG2 4.36Å; N233-V236 PolarHBondContact O-N 3.29Å; P234-V236 VanDerWaalsContact C-N 3.33Å; V236-I238 WeakPolarHBondContact CG1-O 3.26Å; V236-I238 PolarHBondContact O-N 3.32Å | ||
| 237 | S | 61.2 | Low | 80.3 | Confident | 122 Ų | 122 | 69.8 Ų | 69.8 | 85% | 0.853 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -63.2 | -5.5 | -173.9 | -175.8 | 0 | 0 | 0 | 0 | 115.7 | ||
| 238 | I | 69 | Low | 80.6 | Confident | 121 Ų | 121 | 64.2 Ų | 64.2 | 62% | 0.621 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -137.6 | 120.8 | 178.9 | -53.5 | 177.6 | 0 | 0 | 0 | 107.1 | V236 | V236-I238 WeakPolarHBondContact CG1-O 3.26Å; V236-I238 PolarHBondContact O-N 3.32Å |
| 239 | P | 78.6 | Confident | 80.8 | Confident | 104 Ų | 104 | 61.6 Ų | 61.6 | 68% | 0.675 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 153.8 | 176.6 | 28.1 | -34.7 | 0 | 0 | 0 | 111.1 | ||
| 240 | P | 85.9 | Confident | 81.2 | Confident | 20 Ų | 20 | 63 Ų | 63 | 13% | 0.13 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 142.2 | 175.5 | 27.9 | -36.1 | 0 | 0 | 0 | 110.6 | F206 F207 F244 | F206-P240 HydrophobicContact CE1-CB 3.9Å; F206-P240 HydrophobicContact CE1-CG 4.39Å; F206-P240 HydrophobicContact CZ-CB 4.01Å; F207-P240 HydrophobicContact CZ-CG 4.18Å; P240-F244 HydrophobicContact CB-CD1 3.71Å; P240-F244 HydrophobicContact CB-CE1 4.45Å |
| 241 | S | 90 | Very high | 81.7 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 25% | 0.245 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 156.5 | 175.1 | 74.9 | 0 | 0 | 0 | 0 | 111.4 | E95 L243 F244 K245 | E95-S241 WeakPolarHBondContact OE1-CB 3.43Å; E95-S241 PolarHBondContact OE1-OG 3.16Å; E95-S241 WeakPolarHBondContact OE2-CB 3.48Å; E95-S241 PolarHBondContact OE2-N 3.01Å; E95-S241 PolarHBondContact OE2-OG 3.04Å; S241-L243 PolarHBondContact O-N 3.08Å; S241-F244 PolarHBondContact O-N 2.94Å; S241-F244 WeakPolarHBondContact OG-CB 3.49Å; S241-F244 PolarHBondContact OG-N 2.92Å; S241-K245 WeakPolarHBondContact O-CB 3.32Å; S241-K245 PolarHBondContact O-N 3.42Å |
| 242 | S | 88.4 | Confident | 82.2 | Confident | 101 Ų | 101 | 57.3 Ų | 57.3 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -55.8 | -36 | 174.5 | 51.1 | 0 | 0 | 0 | 0 | 112.2 | S246 | S242-S246 WeakPolarHBondContact O-CB 3.45Å; S242-S246 PolarHBondContact O-N 3.21Å |
| 243 | L | 92 | Very high | 83.4 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 31% | 0.314 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.1 | -44.4 | 174.6 | -60.2 | -177.4 | 0 | 0 | 0 | 112 | S241 S246 L247 H268 F270 | S241-L243 PolarHBondContact O-N 3.08Å; L243-S246 PolarHBondContact O-N 2.82Å; L243-L247 PolarHBondContact O-N 3.12Å; L243-H268 VanDerWaalsContact CA-CE1 3.47Å; L243-H268 WeakPolarHBondContact CA-CE1 3.16Å; L243-H268 PolarHBondContact O-CE1 3.32Å; L243-F270 HydrophobicContact CB-CB 4.39Å; L243-F270 HydrophobicContact CB-CD2 4.49Å |
| 244 | F | 92.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 178.7 | -174.1 | -125.7 | 0 | 0 | 0 | 112.2 | E95 V98 F202 F206 P240 S241 L247 L248 F270 | E95-F244 HydrophobicContact CG-CB 4.15Å; E95-F244 HydrophobicContact CG-CD1 4.44Å; E95-F244 HydrophobicContact CG-CG 4.17Å; V98-F244 HydrophobicContact CG1-CE2 3.75Å; V98-F244 HydrophobicContact CG1-CZ 3.87Å; F202-F244 HydrophobicContact CB-CE2 4.23Å; F202-F244 HydrophobicContact CB-CZ 4.33Å; F206-F244 HydrophobicContact CB-CE1 3.56Å; F206-F244 HydrophobicContact CB-CZ 3.92Å; F206-F244 HydrophobicContact CD1-CE1 4.07Å; F206-F244 HydrophobicContact CD2-CD1 4.12Å; F206-F244 AromaticContact CD2-CE1 3.7Å; F206-F244 HydrophobicContact CD2-CE1 3.7Å; F206-F244 HydrophobicContact CE2-CD1 4.42Å; F206-F244 HydrophobicContact CE2-CE1 4.41Å; F206-F244 HydrophobicContact CG-CD1 4.25Å; F206-F244 AromaticContact CG-CE1 3.5Å; F206-F244 HydrophobicContact CG-CE1 3.5Å; F206-F244 HydrophobicContact CG-CZ 4.33Å; P240-F244 HydrophobicContact CB-CD1 3.71Å; P240-F244 HydrophobicContact CB-CE1 4.45Å; S241-F244 PolarHBondContact O-N 2.94Å; S241-F244 WeakPolarHBondContact OG-CB 3.49Å; S241-F244 PolarHBondContact OG-N 2.92Å; F244-L247 PolarHBondContact O-N 3.28Å; F244-L248 HydrophobicContact CD1-CD1 4.16Å; F244-L248 HydrophobicContact CD2-CG 4.46Å; F244-L248 HydrophobicContact CE1-CD1 3.65Å; F244-L248 HydrophobicContact CE1-CG 4.22Å; F244-L248 HydrophobicContact CE2-CD1 4.38Å; F244-L248 HydrophobicContact CE2-CD2 4.16Å; F244-L248 HydrophobicContact CE2-CG 4.06Å; F244-L248 HydrophobicContact CZ-CD1 3.77Å; F244-L248 HydrophobicContact CZ-CD2 3.99Å; F244-L248 HydrophobicContact CZ-CG 3.92Å; F244-L248 WeakPolarHBondContact O-CG 3.46Å; F244-L248 PolarHBondContact O-N 3.13Å; F244-F270 HydrophobicContact CB-CD2 3.94Å; F244-F270 HydrophobicContact CB-CE2 3.68Å; F244-F270 HydrophobicContact CD2-CD2 4.11Å; F244-F270 HydrophobicContact CD2-CE1 4.25Å; F244-F270 AromaticContact CD2-CE2 3.46Å; F244-F270 HydrophobicContact CD2-CE2 3.46Å; F244-F270 VanDerWaalsContact CD2-CE2 3.46Å; F244-F270 AromaticContact CD2-CZ 3.53Å; F244-F270 HydrophobicContact CD2-CZ 3.53Å; F244-F270 HydrophobicContact CE2-CE2 4.44Å; F244-F270 HydrophobicContact CE2-CZ 4.1Å; F244-F270 HydrophobicContact CG-CD2 4.47Å; F244-F270 AromaticContact CG-CE2 3.86Å; F244-F270 HydrophobicContact CG-CE2 3.86Å; F244-F270 HydrophobicContact CG-CZ 4.32Å |
| 245 | K | 91.8 | Very high | 85.9 | Confident | 95 Ų | 95 | 52.1 Ų | 52.1 | 41% | 0.413 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 173.2 | -173.2 | 177.1 | 178.4 | -179.1 | 0 | 111.8 | Y231 S241 L248 T249 | Y231-K245 HydrophobicContact CD1-CG 4.13Å; Y231-K245 HydrophobicContact CE1-CG 4.41Å; Y231-K245 HydrophobicContact CG-CD 4.3Å; Y231-K245 HydrophobicContact CG-CG 4.21Å; S241-K245 WeakPolarHBondContact O-CB 3.32Å; S241-K245 PolarHBondContact O-N 3.42Å; K245-L248 PolarHBondContact O-N 3.11Å; K245-T249 WeakPolarHBondContact O-CB 3.29Å; K245-T249 PolarHBondContact O-N 3.13Å; K245-T249 PolarHBondContact O-OG1 3.18Å |
| 246 | S | 92.6 | Very high | 87.2 | Confident | 49 Ų | 49 | 48.3 Ų | 48.3 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58 | -50.9 | 172.3 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | S242 L243 L248 T249 S250 H268 | S242-S246 WeakPolarHBondContact O-CB 3.45Å; S242-S246 PolarHBondContact O-N 3.21Å; L243-S246 PolarHBondContact O-N 2.82Å; S246-L248 PolarHBondContact O-N 3.11Å; S246-T249 PolarHBondContact O-N 3.06Å; S246-S250 PolarHBondContact O-N 2.81Å; S246-S250 PolarHBondContact O-OG 3.11Å; S246-H268 WeakPolarHBondContact CB-NE2 3.45Å; S246-H268 PolarHBondContact OG-NE2 3.08Å |
| 247 | L | 94.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.1 | -48.1 | 178.2 | 178.9 | 59.6 | 0 | 0 | 0 | 112.2 | F202 L243 F244 T249 S250 L251 I260 L265 H268 F270 W271 | F202-L247 HydrophobicContact CD2-CD2 4.2Å; F202-L247 HydrophobicContact CE2-CD2 4.13Å; L243-L247 PolarHBondContact O-N 3.12Å; F244-L247 PolarHBondContact O-N 3.28Å; L247-T249 VanDerWaalsContact C-N 3.32Å; L247-T249 PolarHBondContact O-N 3.14Å; L247-S250 PolarHBondContact O-N 2.66Å; L247-L251 HydrophobicContact CD1-CD1 3.84Å; L247-L251 HydrophobicContact CD1-CG 4.18Å; L247-L251 HydrophobicContact CG-CD1 3.84Å; L247-L251 VanDerWaalsContact O-CG 3.32Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.38Å; L247-I260 HydrophobicContact CD1-CD1 4.41Å; L247-L265 HydrophobicContact CD1-CD1 3.63Å; L247-H268 HydrophobicContact CD1-CB 4.44Å; L247-H268 PolarHBondContact N-CE1 2.82Å; L247-H268 PolarHBondContact N-NE2 3Å; L247-F270 HydrophobicContact CD2-CB 4.05Å; L247-F270 HydrophobicContact CD2-CD1 3.3Å; L247-F270 HydrophobicContact CD2-CE1 3.8Å; L247-F270 HydrophobicContact CD2-CG 3.76Å; L247-W271 HydrophobicContact CD2-CH2 4.4Å; L247-W271 HydrophobicContact CD2-CZ2 3.95Å |
| 248 | L | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 176.4 | -71.3 | 178.7 | 0 | 0 | 0 | 112.2 | F202 Y203 F207 Y231 F244 K245 S246 S250 L251 L252 | F202-L248 HydrophobicContact CB-CD2 3.66Å; Y203-L248 HydrophobicContact CD2-CD1 4.37Å; F207-L248 HydrophobicContact CE2-CD1 4.34Å; Y231-L248 HydrophobicContact CD1-CD1 4.33Å; Y231-L248 HydrophobicContact CE1-CB 3.81Å; Y231-L248 HydrophobicContact CE1-CD1 4.07Å; F244-L248 HydrophobicContact CD1-CD1 4.16Å; F244-L248 HydrophobicContact CD2-CG 4.46Å; F244-L248 HydrophobicContact CE1-CD1 3.65Å; F244-L248 HydrophobicContact CE1-CG 4.22Å; F244-L248 HydrophobicContact CE2-CD1 4.38Å; F244-L248 HydrophobicContact CE2-CD2 4.16Å; F244-L248 HydrophobicContact CE2-CG 4.06Å; F244-L248 HydrophobicContact CZ-CD1 3.77Å; F244-L248 HydrophobicContact CZ-CD2 3.99Å; F244-L248 HydrophobicContact CZ-CG 3.92Å; F244-L248 WeakPolarHBondContact O-CG 3.46Å; F244-L248 PolarHBondContact O-N 3.13Å; K245-L248 PolarHBondContact O-N 3.11Å; S246-L248 PolarHBondContact O-N 3.11Å; L248-S250 PolarHBondContact O-N 2.9Å; L248-L251 PolarHBondContact O-N 3.47Å; L248-L252 VanDerWaalsContact O-CB 3.28Å; L248-L252 WeakPolarHBondContact O-CB 3.12Å; L248-L252 WeakPolarHBondContact O-CG 3.42Å; L248-L252 PolarHBondContact O-N 2.92Å |
| 249 | T | 92.6 | Very high | 90.7 | Very high | 64 Ų | 64 | 49 Ų | 49 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 179.2 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | Y231 K245 S246 L247 T253 | Y231-T249 WeakPolarHBondContact OH-CA 3.49Å; Y231-T249 PolarHBondContact OH-OG1 2.86Å; K245-T249 WeakPolarHBondContact O-CB 3.29Å; K245-T249 PolarHBondContact O-N 3.13Å; K245-T249 PolarHBondContact O-OG1 3.18Å; S246-T249 PolarHBondContact O-N 3.06Å; L247-T249 VanDerWaalsContact C-N 3.32Å; L247-T249 PolarHBondContact O-N 3.14Å; T249-T253 PolarHBondContact O-N 2.98Å; T249-T253 PolarHBondContact O-OG1 3.41Å; T249-T253 VanDerWaalsContact O-OG1 3.06Å |
| 250 | S | 93.3 | Very high | 91.4 | Very high | 37 Ų | 37 | 44.9 Ų | 44.9 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.8 | -22.2 | 179.1 | -53.3 | 0 | 0 | 0 | 0 | 114.2 | S246 L247 L248 R259 I260 | S246-S250 PolarHBondContact O-N 2.81Å; S246-S250 PolarHBondContact O-OG 3.11Å; L247-S250 PolarHBondContact O-N 2.66Å; L248-S250 PolarHBondContact O-N 2.9Å; S250-R259 WeakPolarHBondContact O-CG 3.38Å; S250-I260 PolarHBondContact O-N 2.76Å |
| 251 | L | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -82.3 | -42.9 | 171.5 | -69.6 | 165.9 | 0 | 0 | 0 | 111.8 | Y195 L198 F202 L247 L248 T253 R259 I260 L265 | Y195-L251 VanDerWaalsContact O-CD2 3.27Å; Y195-L251 WeakPolarHBondContact O-CD2 3.39Å; L198-L251 HydrophobicContact CD2-CD2 4.16Å; F202-L251 HydrophobicContact CD2-CD1 3.83Å; F202-L251 HydrophobicContact CE2-CD1 4.14Å; L247-L251 HydrophobicContact CD1-CD1 3.84Å; L247-L251 HydrophobicContact CD1-CG 4.18Å; L247-L251 HydrophobicContact CG-CD1 3.84Å; L247-L251 VanDerWaalsContact O-CG 3.32Å; L247-L251 WeakPolarHBondContact O-CG 3.45Å; L247-L251 PolarHBondContact O-N 3.38Å; L248-L251 PolarHBondContact O-N 3.47Å; L251-T253 PolarHBondContact O-N 3.37Å; L251-R259 WeakPolarHBondContact O-CD 2.98Å; L251-R259 VanDerWaalsContact O-CG 3.26Å; L251-R259 WeakPolarHBondContact O-CG 3.42Å; L251-I260 HydrophobicContact CD2-CG2 3.49Å; L251-I260 VanDerWaalsContact CD2-CG2 3.49Å; L251-I260 HydrophobicContact CG-CG2 4.05Å; L251-L265 HydrophobicContact CD2-CD1 4.2Å |
| 252 | L | 94.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -86.5 | 23.2 | -179.7 | -62.6 | 176.1 | 0 | 0 | 0 | 113.3 | W196 Y203 P211 F212 P229 L248 K254 | W196-L252 HydrophobicContact CD2-CD2 4.24Å; W196-L252 HydrophobicContact CE3-CD2 4.29Å; W196-L252 HydrophobicContact CZ2-CD2 4.48Å; W196-L252 VanDerWaalsContact CZ3-C 3.49Å; W196-L252 HydrophobicContact CZ3-CB 4.35Å; W196-L252 HydrophobicContact CZ3-CD2 4.44Å; W196-L252 VanDerWaalsContact CZ3-O 3.25Å; W196-L252 WeakPolarHBondContact CZ3-O 3.22Å; Y203-L252 HydrophobicContact CD2-CD1 4.31Å; P211-L252 HydrophobicContact CB-CD1 4.31Å; P211-L252 HydrophobicContact CG-CD1 4.38Å; F212-L252 HydrophobicContact CE2-CD2 4.41Å; P229-L252 HydrophobicContact CB-CD1 4.08Å; P229-L252 HydrophobicContact CG-CB 4.41Å; P229-L252 HydrophobicContact CG-CD1 3.94Å; L248-L252 VanDerWaalsContact O-CB 3.28Å; L248-L252 WeakPolarHBondContact O-CB 3.12Å; L248-L252 WeakPolarHBondContact O-CG 3.42Å; L248-L252 PolarHBondContact O-N 2.92Å; L252-K254 PolarHBondContact O-N 3.41Å |
| 253 | T | 93.2 | Very high | 91.4 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | trans | -69.6 | 121.8 | 170.1 | -62.2 | 0 | 0 | 0 | 0 | 109.6 | T249 L251 S255 K258 R259 | T249-T253 PolarHBondContact O-N 2.98Å; T249-T253 PolarHBondContact O-OG1 3.41Å; T249-T253 VanDerWaalsContact O-OG1 3.06Å; L251-T253 PolarHBondContact O-N 3.37Å; T253-S255 VanDerWaalsContact C-N 3.35Å; T253-S255 PolarHBondContact O-N 3.29Å; T253-K258 HydrophobicContact CG2-CB 3.71Å; T253-R259 PolarHBondContact O-NE 3.26Å; T253-R259 PolarHBondContact O-NH2 2.99Å | ||
| 254 | K | 90.8 | Very high | 91.3 | Very high | 44 Ų | 44 | 48 Ų | 48 | 19% | 0.191 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -53.1 | -48.4 | -178.3 | -58.8 | -63.9 | -173.5 | -177.2 | 0 | 112.9 | P181 W196 I224 L225 R227 E228 L252 S256 R259 | P181-K254 HydrophobicContact CG-CD 4.1Å; W196-K254 HydrophobicContact CH2-CD 3.85Å; W196-K254 HydrophobicContact CZ3-CD 4.08Å; I224-K254 PolarHBondContact O-NZ 3.39Å; L225-K254 WeakPolarHBondContact O-CE 3.02Å; R227-K254 WeakPolarHBondContact O-CE 3.39Å; R227-K254 PolarHBondContact O-NZ 3.36Å; E228-K254 WeakPolarHBondContact OE1-CE 3.47Å; L252-K254 PolarHBondContact O-N 3.41Å; K254-S256 PolarHBondContact O-N 3.23Å; K254-R259 PolarHBondContact O-NH2 2.92Å |
| 255 | S | 88.1 | Confident | 91.3 | Very high | 49 Ų | 49 | 48.1 Ų | 48.1 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -76.5 | 116.1 | -179.5 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | T253 S257 K258 R259 | T253-S255 VanDerWaalsContact C-N 3.35Å; T253-S255 PolarHBondContact O-N 3.29Å; S255-S257 PolarHBondContact O-N 2.93Å; S255-S257 PolarHBondContact OG-OG 3.38Å; S255-K258 PolarHBondContact O-N 3.47Å; S255-R259 PolarHBondContact O-N 3.07Å; S255-R259 VanDerWaalsContact O-N 3.16Å |
| 256 | S | 89.1 | Confident | 91.2 | Very high | 50 Ų | 50 | 44.2 Ų | 44.2 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.8 | -177.6 | 56 | 0 | 0 | 0 | 0 | 114.5 | S192 K254 R259 | S192-S256 PolarHBondContact OG-O 3.38Å; K254-S256 PolarHBondContact O-N 3.23Å; S256-R259 WeakPolarHBondContact O-CB 3.38Å |
| 257 | S | 85.8 | Confident | 90.9 | Very high | 105 Ų | 105 | 48.6 Ų | 48.6 | 73% | 0.734 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -11.2 | 177 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | S255 | S255-S257 PolarHBondContact O-N 2.93Å; S255-S257 PolarHBondContact OG-OG 3.38Å |
| 258 | K | 88.2 | Confident | 90.7 | Very high | 162 Ų | 162 | 50.1 Ų | 50.1 | 70% | 0.704 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -1.8 | 172.2 | -64.8 | -178.6 | -180 | 177.9 | 0 | 112.7 | T253 S255 | T253-K258 HydrophobicContact CG2-CB 3.71Å; S255-K258 PolarHBondContact O-N 3.47Å |
| 259 | R | 93.9 | Very high | 90.4 | Very high | 14 Ų | 14 | 54 Ų | 54 | 5% | 0.053 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -73.2 | 153.6 | 174.6 | -152.1 | 172.9 | -65.3 | 146.2 | 0.7 | 109.8 | E182 S192 S250 L251 T253 K254 S255 S256 S261 | E182-R259 IonicContact OE1-CZ 3.98Å; E182-R259 IonicContact OE1-NH1 2.72Å; E182-R259 PolarHBondContact OE1-NH1 3.4Å; E182-R259 IonicContact OE1-NH2 3.47Å; E182-R259 PolarHBondContact OE1-NH2 2.98Å; E182-R259 IonicContact OE2-CZ 2.75Å; E182-R259 IonicContact OE2-NH1 3.41Å; E182-R259 IonicContact OE2-NH2 3.46Å; E182-R259 PolarHBondContact OE2-NH2 2.84Å; S192-R259 VanDerWaalsContact C-NH1 3.28Å; S192-R259 WeakPolarHBondContact O-CD 3.43Å; S192-R259 PolarHBondContact O-NH1 3.05Å; S192-R259 PolarHBondContact OG-NH1 3.18Å; S250-R259 WeakPolarHBondContact O-CG 3.38Å; L251-R259 WeakPolarHBondContact O-CD 2.98Å; L251-R259 VanDerWaalsContact O-CG 3.26Å; L251-R259 WeakPolarHBondContact O-CG 3.42Å; T253-R259 PolarHBondContact O-NE 3.26Å; T253-R259 PolarHBondContact O-NH2 2.99Å; K254-R259 PolarHBondContact O-NH2 2.92Å; S255-R259 PolarHBondContact O-N 3.07Å; S255-R259 VanDerWaalsContact O-N 3.16Å; S256-R259 WeakPolarHBondContact O-CB 3.38Å; R259-S261 PolarHBondContact O-N 3.44Å |
| 260 | I | 92.6 | Very high | 90.2 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 9% | 0.092 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 135 | -174.6 | -164.5 | 166.7 | 0 | 0 | 0 | 112.5 | Y195 L247 S250 L251 D264 L265 | Y195-I260 WeakPolarHBondContact CD2-O 3.07Å; L247-I260 HydrophobicContact CD1-CD1 4.41Å; S250-I260 PolarHBondContact O-N 2.76Å; L251-I260 HydrophobicContact CD2-CG2 3.49Å; L251-I260 VanDerWaalsContact CD2-CG2 3.49Å; L251-I260 HydrophobicContact CG-CG2 4.05Å; I260-D264 HydrophobicContact CD1-CB 4.37Å; I260-D264 HydrophobicContact CG1-CB 3.84Å; I260-L265 HydrophobicContact CD1-CB 4.19Å; I260-L265 HydrophobicContact CG1-CB 4.21Å; I260-L265 HydrophobicContact CG2-CB 4.3Å; I260-L265 HydrophobicContact CG2-CD1 4.49Å |
| 261 | S | 90.3 | Very high | 90 | Very high | 47 Ų | 47 | 49.2 Ų | 49.2 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 161.5 | 175.4 | 87.5 | 0 | 0 | 0 | 0 | 111.4 | R259 N263 D264 L265 | R259-S261 PolarHBondContact O-N 3.44Å; S261-N263 VanDerWaalsContact C-N 3.28Å; S261-N263 PolarHBondContact O-N 2.87Å; S261-N263 PolarHBondContact OG-N 3.29Å; S261-D264 WeakPolarHBondContact CB-OD2 3.21Å; S261-D264 PolarHBondContact O-N 3.32Å; S261-D264 VanDerWaalsContact OG-CG 3.23Å; S261-D264 PolarHBondContact OG-N 3.47Å; S261-D264 VanDerWaalsContact OG-N 3.17Å; S261-D264 PolarHBondContact OG-OD2 2.96Å; S261-L265 VanDerWaalsContact O-CB 3.22Å; S261-L265 WeakPolarHBondContact O-CB 3.19Å; S261-L265 PolarHBondContact O-N 3.32Å |
| 262 | E | 87.4 | Confident | 89.2 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 24% | 0.243 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -55.4 | -45.4 | 174.6 | -167.9 | -166.8 | 131.5 | 0 | 0 | 111.7 | R110 Y195 D264 L265 I266 | R110-E262 WeakPolarHBondContact CD-OE1 3.27Å; R110-E262 WeakPolarHBondContact CG-OE1 3.37Å; R110-E262 IonicContact CZ-OE1 3.27Å; R110-E262 IonicContact NE-OE1 3.64Å; R110-E262 PolarHBondContact NE-OE1 3.29Å; Y195-E262 WeakPolarHBondContact OH-CB 3.44Å; Y195-E262 WeakPolarHBondContact OH-CG 3.26Å; E262-D264 VanDerWaalsContact C-N 3.34Å; E262-D264 PolarHBondContact O-N 3.47Å; E262-L265 PolarHBondContact O-N 2.94Å; E262-I266 HydrophobicContact CG-CD1 3.99Å; E262-I266 WeakPolarHBondContact O-CD1 3.48Å; E262-I266 VanDerWaalsContact O-CG1 3.26Å; E262-I266 WeakPolarHBondContact O-CG1 3.31Å; E262-I266 PolarHBondContact O-N 3.01Å |
| 263 | N | 87.5 | Confident | 87.8 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 52% | 0.519 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | -178.1 | -79 | -58.4 | 0 | 0 | 0 | 112 | S261 K267 | S261-N263 VanDerWaalsContact C-N 3.28Å; S261-N263 PolarHBondContact O-N 2.87Å; S261-N263 PolarHBondContact OG-N 3.29Å; N263-K267 WeakPolarHBondContact O-CB 3.49Å; N263-K267 WeakPolarHBondContact O-CD 3.48Å; N263-K267 WeakPolarHBondContact O-CG 3.48Å; N263-K267 PolarHBondContact O-N 2.96Å; N263-K267 VanDerWaalsContact O-N 3.15Å |
| 264 | D | 90.1 | Very high | 86.6 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -78.4 | -33 | -179.7 | -55.8 | -47.9 | 0 | 0 | 0 | 111.3 | I260 S261 E262 K267 H268 | I260-D264 HydrophobicContact CD1-CB 4.37Å; I260-D264 HydrophobicContact CG1-CB 3.84Å; S261-D264 WeakPolarHBondContact CB-OD2 3.21Å; S261-D264 PolarHBondContact O-N 3.32Å; S261-D264 VanDerWaalsContact OG-CG 3.23Å; S261-D264 PolarHBondContact OG-N 3.47Å; S261-D264 VanDerWaalsContact OG-N 3.17Å; S261-D264 PolarHBondContact OG-OD2 2.96Å; E262-D264 VanDerWaalsContact C-N 3.34Å; E262-D264 PolarHBondContact O-N 3.47Å; D264-K267 PolarHBondContact O-N 2.98Å; D264-H268 WeakPolarHBondContact O-CB 3.19Å; D264-H268 PolarHBondContact O-N 3.03Å |
| 265 | L | 91.3 | Very high | 85.6 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 171.7 | 177 | 57.8 | 0 | 0 | 0 | 111 | V106 Y195 L198 L247 L251 I260 S261 E262 H268 W271 | V106-L265 HydrophobicContact CG1-CD2 4.49Å; V106-L265 HydrophobicContact CG2-CD2 4.26Å; Y195-L265 HydrophobicContact CD1-CD2 3.84Å; Y195-L265 HydrophobicContact CE1-CD2 3.89Å; L198-L265 HydrophobicContact CD2-CD2 3.93Å; L247-L265 HydrophobicContact CD1-CD1 3.63Å; L251-L265 HydrophobicContact CD2-CD1 4.2Å; I260-L265 HydrophobicContact CD1-CB 4.19Å; I260-L265 HydrophobicContact CG1-CB 4.21Å; I260-L265 HydrophobicContact CG2-CB 4.3Å; I260-L265 HydrophobicContact CG2-CD1 4.49Å; S261-L265 VanDerWaalsContact O-CB 3.22Å; S261-L265 WeakPolarHBondContact O-CB 3.19Å; S261-L265 PolarHBondContact O-N 3.32Å; E262-L265 PolarHBondContact O-N 2.94Å; L265-H268 WeakPolarHBondContact O-CB 3.27Å; L265-H268 PolarHBondContact O-N 2.84Å; L265-W271 HydrophobicContact CD1-CZ2 4.33Å; L265-W271 PolarHBondContact O-NE1 3.07Å |
| 266 | I | 89.9 | Confident | 84 | Confident | 14 Ų | 14 | 67 Ų | 67 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176.1 | -65.7 | 159.5 | 0 | 0 | 0 | 111.3 | E262 H268 I275 | E262-I266 HydrophobicContact CG-CD1 3.99Å; E262-I266 WeakPolarHBondContact O-CD1 3.48Å; E262-I266 VanDerWaalsContact O-CG1 3.26Å; E262-I266 WeakPolarHBondContact O-CG1 3.31Å; E262-I266 PolarHBondContact O-N 3.01Å; I266-H268 VanDerWaalsContact C-N 3.29Å; I266-H268 PolarHBondContact O-N 3.41Å; I266-I275 HydrophobicContact CG1-CG2 4.43Å; I266-I275 HydrophobicContact CG2-CB 4.32Å; I266-I275 HydrophobicContact CG2-CG2 3.94Å |
| 267 | K | 86.9 | Confident | 82.4 | Confident | 141 Ų | 141 | 69.7 Ų | 69.7 | 61% | 0.613 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -75 | -14 | -178.8 | -68.9 | 167.7 | -169.4 | 171.6 | 0 | 113.8 | N263 D264 S269 | N263-K267 WeakPolarHBondContact O-CB 3.49Å; N263-K267 WeakPolarHBondContact O-CD 3.48Å; N263-K267 WeakPolarHBondContact O-CG 3.48Å; N263-K267 PolarHBondContact O-N 2.96Å; N263-K267 VanDerWaalsContact O-N 3.15Å; D264-K267 PolarHBondContact O-N 2.98Å; K267-S269 PolarHBondContact O-N 2.85Å |
| 268 | H | 89.6 | Confident | 80.2 | Confident | 31 Ų | 31 | 67.3 Ų | 67.3 | 14% | 0.144 | 35% | 0.345 | C | S | . | . | trans | -56.5 | 127.6 | -171.8 | -165.8 | -77.6 | 0 | 0 | 0 | 111.8 | L243 S246 L247 D264 L265 I266 F270 W271 | L243-H268 VanDerWaalsContact CA-CE1 3.47Å; L243-H268 WeakPolarHBondContact CA-CE1 3.16Å; L243-H268 PolarHBondContact O-CE1 3.32Å; S246-H268 WeakPolarHBondContact CB-NE2 3.45Å; S246-H268 PolarHBondContact OG-NE2 3.08Å; L247-H268 HydrophobicContact CD1-CB 4.44Å; L247-H268 PolarHBondContact N-CE1 2.82Å; L247-H268 PolarHBondContact N-NE2 3Å; D264-H268 WeakPolarHBondContact O-CB 3.19Å; D264-H268 PolarHBondContact O-N 3.03Å; L265-H268 WeakPolarHBondContact O-CB 3.27Å; L265-H268 PolarHBondContact O-N 2.84Å; I266-H268 VanDerWaalsContact C-N 3.29Å; I266-H268 PolarHBondContact O-N 3.41Å; H268-F270 VanDerWaalsContact ND1-CB 3.31Å; H268-F270 WeakPolarHBondContact ND1-CB 3.21Å; H268-F270 PolarHBondContact ND1-N 3.39Å; H268-F270 PolarHBondContact O-N 3.06Å; H268-W271 VanDerWaalsContact O-CD1 3.26Å; H268-W271 PolarHBondContact O-N 2.76Å | ||
| 269 | S | 88.3 | Confident | 78.2 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 57% | 0.566 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -58.2 | -20 | -170.4 | -50.3 | 0 | 0 | 0 | 0 | 113.9 | K267 W271 H272 | K267-S269 PolarHBondContact O-N 2.85Å; S269-W271 PolarHBondContact O-N 3.48Å; S269-H272 PolarHBondContact O-N 2.81Å; S269-H272 PolarHBondContact O-ND1 3.16Å |
| 270 | F | 89.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -48.8 | -38.4 | 169.6 | 178.6 | -109.9 | 0 | 0 | 0 | 113.1 | E95 R99 L243 F244 L247 H268 H272 | E95-F270 HydrophobicContact CG-CE2 3.61Å; E95-F270 HydrophobicContact CG-CZ 4.15Å; E95-F270 WeakPolarHBondContact OE1-CE2 3.29Å; R99-F270 HydrophobicContact CB-CE1 3.78Å; R99-F270 HydrophobicContact CB-CE2 4.33Å; R99-F270 HydrophobicContact CB-CZ 3.61Å; R99-F270 WeakPolarHBondContact CD-O 3.44Å; R99-F270 HydrophobicContact CG-CD1 4.08Å; R99-F270 HydrophobicContact CG-CE1 3.7Å; R99-F270 HydrophobicContact CG-CE2 4.44Å; R99-F270 HydrophobicContact CG-CZ 3.9Å; R99-F270 PolarHBondContact NE-O 3.05Å; L243-F270 HydrophobicContact CB-CB 4.39Å; L243-F270 HydrophobicContact CB-CD2 4.49Å; F244-F270 HydrophobicContact CB-CD2 3.94Å; F244-F270 HydrophobicContact CB-CE2 3.68Å; F244-F270 HydrophobicContact CD2-CD2 4.11Å; F244-F270 HydrophobicContact CD2-CE1 4.25Å; F244-F270 AromaticContact CD2-CE2 3.46Å; F244-F270 HydrophobicContact CD2-CE2 3.46Å; F244-F270 VanDerWaalsContact CD2-CE2 3.46Å; F244-F270 AromaticContact CD2-CZ 3.53Å; F244-F270 HydrophobicContact CD2-CZ 3.53Å; F244-F270 HydrophobicContact CE2-CE2 4.44Å; F244-F270 HydrophobicContact CE2-CZ 4.1Å; F244-F270 HydrophobicContact CG-CD2 4.47Å; F244-F270 AromaticContact CG-CE2 3.86Å; F244-F270 HydrophobicContact CG-CE2 3.86Å; F244-F270 HydrophobicContact CG-CZ 4.32Å; L247-F270 HydrophobicContact CD2-CB 4.05Å; L247-F270 HydrophobicContact CD2-CD1 3.3Å; L247-F270 HydrophobicContact CD2-CE1 3.8Å; L247-F270 HydrophobicContact CD2-CG 3.76Å; H268-F270 VanDerWaalsContact ND1-CB 3.31Å; H268-F270 WeakPolarHBondContact ND1-CB 3.21Å; H268-F270 PolarHBondContact ND1-N 3.39Å; H268-F270 PolarHBondContact O-N 3.06Å; F270-H272 PolarHBondContact O-N 3.41Å; F270-H272 PolarHBondContact O-ND1 3.13Å |
| 271 | W | 88.4 | Confident | 72.8 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -75.2 | -18.8 | -173.4 | -57.3 | 118.1 | 0 | 0 | 0 | 115.4 | R99 A103 V106 F202 L247 L265 H268 S269 Q273 R274 I275 | R99-W271 HydrophobicContact CG-CE3 3.93Å; R99-W271 HydrophobicContact CG-CZ3 4.27Å; A103-W271 HydrophobicContact CB-CE3 3.92Å; A103-W271 HydrophobicContact CB-CZ3 3.89Å; A103-W271 VanDerWaalsContact N-CZ3 3.34Å; V106-W271 HydrophobicContact CG2-CH2 4.28Å; V106-W271 HydrophobicContact CG2-CZ2 4.01Å; F202-W271 AromaticContact CE2-CH2 3.7Å; F202-W271 HydrophobicContact CE2-CH2 3.7Å; F202-W271 AromaticContact CE2-CZ2 3.99Å; F202-W271 HydrophobicContact CE2-CZ2 3.99Å; F202-W271 AromaticContact CZ-CH2 3.79Å; F202-W271 HydrophobicContact CZ-CH2 3.79Å; F202-W271 HydrophobicContact CZ-CZ2 4.33Å; L247-W271 HydrophobicContact CD2-CH2 4.4Å; L247-W271 HydrophobicContact CD2-CZ2 3.95Å; L265-W271 HydrophobicContact CD1-CZ2 4.33Å; L265-W271 PolarHBondContact O-NE1 3.07Å; H268-W271 VanDerWaalsContact O-CD1 3.26Å; H268-W271 PolarHBondContact O-N 2.76Å; S269-W271 PolarHBondContact O-N 3.48Å; W271-Q273 VanDerWaalsContact C-N 3.35Å; W271-Q273 PolarHBondContact O-N 3.27Å; W271-R274 VanDerWaalsContact O-CB 3.26Å; W271-R274 WeakPolarHBondContact O-CB 3.49Å; W271-R274 VanDerWaalsContact O-CG 3.23Å; W271-R274 WeakPolarHBondContact O-CG 3.09Å; W271-R274 PolarHBondContact O-N 3.18Å; W271-I275 HydrophobicContact CD2-CD1 3.68Å; W271-I275 HydrophobicContact CD2-CG1 4.46Å; W271-I275 HydrophobicContact CE3-CD1 4.12Å; W271-I275 HydrophobicContact CG-CD1 3.83Å; W271-I275 HydrophobicContact CG-CG1 4.34Å; W271-I275 HydrophobicContact CZ2-CD1 4.43Å |
| 272 | H | 78.1 | Confident | 70 | Confident | 115 Ų | 115 | 76 Ų | 76 | 53% | 0.532 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 52.2 | -175.5 | -59.4 | 62.2 | 0 | 0 | 0 | 112.3 | S269 F270 R274 | S269-H272 PolarHBondContact O-N 2.81Å; S269-H272 PolarHBondContact O-ND1 3.16Å; F270-H272 PolarHBondContact O-N 3.41Å; F270-H272 PolarHBondContact O-ND1 3.13Å; H272-R274 PolarHBondContact O-N 2.96Å; H272-R274 VanDerWaalsContact O-N 3.12Å |
| 273 | Q | 65.6 | Low | 67.3 | Low | 196 Ų | 196 | 76.9 Ų | 76.9 | 92% | 0.916 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 16.1 | -179.8 | -59.4 | 178.3 | -10.7 | 0 | 0 | 116.3 | W271 I275 | W271-Q273 VanDerWaalsContact C-N 3.35Å; W271-Q273 PolarHBondContact O-N 3.27Å; Q273-I275 PolarHBondContact O-N 2.91Å |
| 274 | R | 67 | Low | 64.6 | Low | 139 Ų | 139 | 78.2 Ų | 78.2 | 53% | 0.525 | 42% | 0.424 | S | S | . | . | trans | -76.4 | 1.7 | -179.8 | -69.6 | 178.6 | 167.7 | -150 | -5.5 | 116.2 | R107 W271 H272 | R107-R274 PolarHBondContact NH2-O 3.28Å; W271-R274 VanDerWaalsContact O-CB 3.26Å; W271-R274 WeakPolarHBondContact O-CB 3.49Å; W271-R274 VanDerWaalsContact O-CG 3.23Å; W271-R274 WeakPolarHBondContact O-CG 3.09Å; W271-R274 PolarHBondContact O-N 3.18Å; H272-R274 PolarHBondContact O-N 2.96Å; H272-R274 VanDerWaalsContact O-N 3.12Å | ||
| 275 | I | 69.1 | Low | 61.7 | Low | 11 Ų | 11 | 77.6 Ų | 77.6 | 6% | 0.056 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -129.4 | 120 | 174.9 | -51.6 | 177.9 | 0 | 0 | 0 | 104.9 | A103 V106 R107 I266 W271 Q273 | A103-I275 HydrophobicContact CB-CD1 4.15Å; A103-I275 HydrophobicContact CB-CG1 4.06Å; V106-I275 HydrophobicContact CB-CD1 4.12Å; V106-I275 HydrophobicContact CG1-CD1 3.81Å; R107-I275 HydrophobicContact CG-CG2 4.15Å; I266-I275 HydrophobicContact CG1-CG2 4.43Å; I266-I275 HydrophobicContact CG2-CB 4.32Å; I266-I275 HydrophobicContact CG2-CG2 3.94Å; W271-I275 HydrophobicContact CD2-CD1 3.68Å; W271-I275 HydrophobicContact CD2-CG1 4.46Å; W271-I275 HydrophobicContact CE3-CD1 4.12Å; W271-I275 HydrophobicContact CG-CD1 3.83Å; W271-I275 HydrophobicContact CG-CG1 4.34Å; W271-I275 HydrophobicContact CZ2-CD1 4.43Å; Q273-I275 PolarHBondContact O-N 2.91Å |
| 276 | S | 55.9 | Low | 58.9 | Low | 45 Ų | 45 | 85.1 Ų | 85.1 | 32% | 0.315 | 48% | 0.477 | S | S | . | . | trans | -101 | 146.7 | -175.7 | 110.2 | 0 | 0 | 0 | 0 | 111.1 | A278 D279 | S276-A278 PolarHBondContact O-N 3.16Å; S276-A278 PolarHBondContact OG-N 3.39Å; S276-D279 WeakPolarHBondContact CB-OD1 3.29Å; S276-D279 PolarHBondContact N-OD2 3.31Å; S276-D279 WeakPolarHBondContact O-CB 3.45Å; S276-D279 PolarHBondContact O-N 3.31Å; S276-D279 VanDerWaalsContact OG-CG 3.23Å; S276-D279 PolarHBondContact OG-N 3.48Å; S276-D279 VanDerWaalsContact OG-N 3.17Å; S276-D279 PolarHBondContact OG-OD1 2.8Å | ||
| 277 | V | 55.3 | Low | 56.1 | Low | 106 Ų | 106 | 90.7 Ų | 90.7 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -65.8 | -29.1 | 175 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | D279 S280 | V277-D279 VanDerWaalsContact C-N 3.32Å; V277-D279 PolarHBondContact O-N 2.97Å; V277-S280 PolarHBondContact O-OG 3.13Å |
| 278 | A | 39.9 | Very low | 53.4 | Low | 55 Ų | 55 | 91.5 Ų | 91.5 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -78.2 | -9.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S276 S280 I281 | S276-A278 PolarHBondContact O-N 3.16Å; S276-A278 PolarHBondContact OG-N 3.39Å; A278-S280 PolarHBondContact O-N 3.25Å; A278-I281 PolarHBondContact O-N 3.12Å |
| 279 | D | 46 | Very low | 50.5 | Low | 78 Ų | 78 | 92.2 Ų | 92.2 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -59.5 | -19.3 | -178.2 | -67.2 | -9.2 | 0 | 0 | 0 | 112.6 | R107 S276 V277 | R107-D279 IonicContact NE-OD2 2.71Å; S276-D279 WeakPolarHBondContact CB-OD1 3.29Å; S276-D279 PolarHBondContact N-OD2 3.31Å; S276-D279 WeakPolarHBondContact O-CB 3.45Å; S276-D279 PolarHBondContact O-N 3.31Å; S276-D279 VanDerWaalsContact OG-CG 3.23Å; S276-D279 PolarHBondContact OG-N 3.48Å; S276-D279 VanDerWaalsContact OG-N 3.17Å; S276-D279 PolarHBondContact OG-OD1 2.8Å; V277-D279 VanDerWaalsContact C-N 3.32Å; V277-D279 PolarHBondContact O-N 2.97Å |
| 280 | S | 37.9 | Very low | 47.6 | Very low | 63 Ų | 63 | 91 Ų | 91 | 44% | 0.441 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -89.2 | -1.9 | -177.7 | 43.3 | 0 | 0 | 0 | 0 | 116.1 | R110 V277 A278 | R110-S280 PolarHBondContact NH2-OG 2.75Å; R110-S280 VanDerWaalsContact NH2-OG 3.12Å; V277-S280 PolarHBondContact O-OG 3.13Å; A278-S280 PolarHBondContact O-N 3.25Å |
| 281 | I | 35.4 | Very low | 44.6 | Very low | 131 Ų | 131 | 96.3 Ų | 96.3 | 67% | 0.672 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -22.3 | -173.7 | -63.4 | 177 | 0 | 0 | 0 | 113.2 | A278 | A278-I281 PolarHBondContact O-N 3.12Š|
| 282 | N | 29.9 | Very low | 41.6 | Very low | 152 Ų | 152 | 105.5 Ų | 105.5 | 81% | 0.813 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 27.1 | -168.4 | -70.5 | -49.5 | 0 | 0 | 0 | 115.4 | ||
| 283 | S | 31.8 | Very low | 39.2 | Very low | 71 Ų | 71 | 104.9 Ų | 104.9 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -130.3 | 5.1 | -179.8 | 71.8 | 0 | 0 | 0 | 0 | 116.2 | ||
| 284 | V | 31.4 | Very low | 37.3 | Very low | 124 Ų | 124 | 100.6 Ų | 100.6 | 75% | 0.752 | 59% | 0.592 | S | S | * | * | trans | -109.8 | 114.9 | 171.2 | -177.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 285 | G | 28.4 | Very low | 35.4 | Very low | 71 Ų | 71 | 101 Ų | 101 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | trans | -161.8 | 33 | -171 | 0 | 0 | 0 | 0 | 0 | 112.9 | K287 | G285-K287 PolarHBondContact O-N 3.25Š| ||
| 286 | D | 32.8 | Very low | 33.4 | Very low | 161 Ų | 161 | 107.6 Ų | 107.6 | 86% | 0.861 | 65% | 0.646 | S | S | * | * | trans | -66.1 | 129.3 | 168.2 | -87.1 | -47.3 | 0 | 0 | 0 | 109.6 | N288 | D286-N288 PolarHBondContact O-N 2.72Š| ||
| 287 | K | 30.3 | Very low | 32.2 | Very low | 131 Ų | 131 | 114.6 Ų | 114.6 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | trans | -80.4 | 106.7 | 167.5 | -68.8 | 179.2 | -173.8 | 172.7 | 0 | 108.5 | G285 E1327 | G285-K287 PolarHBondContact O-N 3.25Å; K287-E1327 VanDerWaalsContact NZ-CD 3.32Å; K287-E1327 IonicContact NZ-OE1 3.47Å; K287-E1327 PolarHBondContact NZ-OE1 2.89Å; K287-E1327 VanDerWaalsContact NZ-OE1 3.14Å; K287-E1327 IonicContact NZ-OE2 2.91Å; K287-E1327 PolarHBondContact NZ-OE2 3.15Å | ||
| 288 | N | 30.7 | Very low | 30.8 | Very low | 159 Ų | 159 | 117.8 Ų | 117.8 | 85% | 0.85 | 68% | 0.676 | S | S | * | * | trans | -156.9 | 163.2 | 138.9 | -89.9 | -32.8 | 0 | 0 | 0 | 107.8 | D286 | D286-N288 PolarHBondContact O-N 2.72Š| ||
| 289 | G | 28.6 | Very low | 30.1 | Very low | 45 Ų | 45 | 124.5 Ų | 124.5 | 46% | 0.464 | 70% | 0.697 | S | S | . | * | trans | -52.9 | 144.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 290 | L | 27.9 | Very low | 29.3 | Very low | 57 Ų | 57 | 128.7 Ų | 128.7 | 30% | 0.298 | 72% | 0.718 | S | S | . | * | -142.5 | 169.7 | 71.3 | -123.6 | 98.6 | 0 | 0 | 0 | 118.2 | Y485 H486 | L290-Y485 HydrophobicContact CD1-CD1 3.53Å; L290-Y485 HydrophobicContact CD1-CD2 3.97Å; L290-Y485 HydrophobicContact CD1-CE1 3.58Å; L290-Y485 HydrophobicContact CD1-CE2 4.02Å; L290-Y485 HydrophobicContact CD1-CG 3.68Å; L290-Y485 HydrophobicContact CD2-CD1 3.61Å; L290-Y485 HydrophobicContact CD2-CE1 3.62Å; L290-Y485 HydrophobicContact CG-CD1 3.77Å; L290-Y485 HydrophobicContact CG-CE1 3.48Å; L290-Y485 VanDerWaalsContact CG-CE1 3.48Å; L290-Y485 HydrophobicContact CG-CG 4.42Å; L290-H486 HydrophobicContact CD1-CB 4.47Å; L290-H486 HydrophobicContact CD2-CB 3.9Å | |||
| 291 | N | 26 | Very low | 28.7 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | trans | -98.9 | 167.1 | -173.6 | -62.7 | -70.5 | 0 | 0 | 0 | 113.6 | Y485 | N291-Y485 PolarHBondContact ND2-OH 3.44Š| ||
| 292 | Q | 26.2 | Very low | 28.5 | Very low | 196 Ų | 196 | 133.2 Ų | 133.2 | 92% | 0.916 | 74% | 0.742 | S | S | * | * | trans | 76.6 | 134.1 | 167.5 | -53.7 | 172.1 | 7 | 0 | 0 | 115.2 | ||||
| 293 | A | 27.6 | Very low | 28.2 | Very low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | cis | -133.4 | 160.3 | 5.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 294 | S | 24.5 | Very low | 27.9 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | -80.9 | 141.4 | -178.9 | 49.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 295 | V | 27 | Very low | 27.8 | Very low | 148 Ų | 148 | 140.9 Ų | 140.9 | 90% | 0.897 | 76% | 0.758 | S | S | * | * | trans | -131.5 | 145.8 | 143.7 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 296 | D | 28.3 | Very low | 27.8 | Very low | 150 Ų | 150 | 144.1 Ų | 144.1 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -80.4 | 163.9 | -155.5 | -76 | -72.4 | 0 | 0 | 0 | 117.7 | ||||
| 297 | K | 29.8 | Very low | 27.5 | Very low | 191 Ų | 191 | 142.1 Ų | 142.1 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -72.7 | 153.8 | 161.6 | -67.5 | 177.8 | 176.2 | 177.7 | 0 | 111.1 | ||
| 298 | K | 26.8 | Very low | 27.3 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | 92 | 140 | 168 | -53.9 | -178.6 | 177.4 | -170.2 | 0 | 114.2 | ||||
| 299 | Q | 25.7 | Very low | 27.1 | Very low | 195 Ų | 195 | 139.8 Ų | 139.8 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | trans | 74.5 | 129.5 | -154 | -51.8 | 170.3 | 16.7 | 0 | 0 | 110.3 | ||||
| 300 | I | 28.9 | Very low | 26.9 | Very low | 167 Ų | 167 | 143 Ų | 143 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | cis | -119.1 | 139.9 | 14.9 | -67.1 | 159.4 | 0 | 0 | 0 | 111.3 | ||||
| 301 | E | 25.5 | Very low | 26.8 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -104.2 | 148.7 | 161.7 | -72.2 | -176.3 | 113.1 | 0 | 0 | 109.8 | ||||
| 302 | S | 29.8 | Very low | 26.8 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 51 | 104.4 | 156.8 | 62.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 303 | E | 24.1 | Very low | 26.8 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | trans | -171 | 144.4 | 145.2 | -98.2 | -169.8 | -175 | 0 | 0 | 106.7 | ||||
| 304 | C | 26.5 | Very low | 26.6 | Very low | 99 Ų | 99 | 136 Ų | 136 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | cis | -131.5 | 149.7 | -22.2 | -67.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 305 | Y | 28.7 | Very low | 26.6 | Very low | 218 Ų | 218 | 134.4 Ų | 134.4 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | 49.6 | 134.9 | 60.2 | -74.6 | -78.6 | 0 | 0 | 0 | 112.1 | |||||
| 306 | L | 27.8 | Very low | 26.5 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | cis | -155.3 | 179.4 | 38.6 | -68.4 | 165.4 | 0 | 0 | 0 | 108.2 | ||||
| 307 | N | 26.4 | Very low | 26.4 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | cis | -145.6 | 154.8 | 2.4 | -104.6 | -55.3 | 0 | 0 | 0 | 106.7 | ||||
| 308 | G | 26.4 | Very low | 26.1 | Very low | 62 Ų | 62 | 127.9 Ų | 127.9 | 64% | 0.639 | 68% | 0.68 | S | S | * | * | cis | 141.1 | 164 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 309 | K | 27.1 | Very low | 25.9 | Very low | 178 Ų | 178 | 124.9 Ų | 124.9 | 77% | 0.774 | 68% | 0.679 | S | S | * | * | trans | 70.1 | 149.4 | 164.7 | -54 | 177.2 | -176.4 | 176.8 | 0 | 115.2 | ||||
| 310 | T | 24.9 | Very low | 25.7 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | cis | -170.4 | 159.3 | -12.7 | 23.9 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 311 | N | 24.9 | Very low | 25.4 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 68% | 0.684 | 67% | 0.665 | S | S | * | * | cis | -154.1 | 134.8 | 16.6 | -115 | -23.2 | 0 | 0 | 0 | 105.5 | ||||
| 312 | S | 26.2 | Very low | 25.2 | Very low | 79 Ų | 79 | 117.3 Ų | 117.3 | 55% | 0.552 | 65% | 0.652 | S | S | * | * | 77.7 | 130.7 | 89.8 | -62.3 | 0 | 0 | 0 | 0 | 113 | N514 | S312-N514 CarbonylContact C-O 3.47Å; S312-N514 VanDerWaalsContact O-O 3.14Å | |||
| 313 | T | 25.9 | Very low | 24.8 | Very low | 52 Ų | 52 | 116.4 Ų | 116.4 | 32% | 0.319 | 65% | 0.646 | S | S | . | * | cis | -169.1 | 178.2 | 13.3 | 7.6 | 0 | 0 | 0 | 0 | 116.5 | F512 V513 N514 | T313-F512 WeakPolarHBondContact CB-O 3.17Å; T313-F512 WeakPolarHBondContact CG2-O 3.3Å; T313-F512 PolarHBondContact OG1-O 3.26Å; T313-V513 VanDerWaalsContact OG1-C 3.31Å; T313-V513 PolarHBondContact OG1-O 3.04Å; T313-N514 PolarHBondContact N-O 2.78Å; T313-N514 CarbonylContact O-C 3.48Å; T313-N514 PolarHBondContact O-N 3.42Å | ||
| 314 | T | 23.7 | Very low | 24.6 | Very low | 59 Ų | 59 | 114 Ų | 114 | 36% | 0.362 | 63% | 0.634 | S | S | . | * | trans | -27.3 | -165 | 176.7 | 74 | 0 | 0 | 0 | 0 | 121.4 | F512 V513 | T314-F512 VanDerWaalsContact OG1-CA 3.28Å; T314-F512 WeakPolarHBondContact OG1-CA 3.48Å; T314-V513 WeakPolarHBondContact O-CA 3.41Å; T314-V513 WeakPolarHBondContact O-CG1 3.45Å; T314-V513 PolarHBondContact OG1-N 3.23Å | ||
| 315 | I | 23.9 | Very low | 24.6 | Very low | 70 Ų | 70 | 114.9 Ų | 114.9 | 36% | 0.359 | 63% | 0.633 | S | S | . | * | cis | -152.1 | 137.7 | 10.5 | -140.7 | 159.5 | 0 | 0 | 0 | 111.8 | F512 V513 | I315-F512 HydrophobicContact CD1-CD2 3.81Å; I315-F512 HydrophobicContact CD1-CE1 4.44Å; I315-F512 HydrophobicContact CD1-CE2 3.56Å; I315-F512 HydrophobicContact CD1-CG 4.35Å; I315-F512 HydrophobicContact CD1-CZ 3.9Å; I315-F512 HydrophobicContact CG2-CE1 4.47Å; I315-F512 HydrophobicContact CG2-CZ 4.36Å; I315-V513 HydrophobicContact CB-CG2 3.68Å; I315-V513 HydrophobicContact CG2-CG2 3.64Å | ||
| 316 | T | 26.4 | Very low | 24.4 | Very low | 121 Ų | 121 | 110 Ų | 110 | 74% | 0.742 | 63% | 0.625 | S | S | * | * | -173.3 | 142 | 115.9 | 31.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 317 | S | 25 | Very low | 24.4 | Very low | 88 Ų | 88 | 107.5 Ų | 107.5 | 62% | 0.615 | 62% | 0.618 | S | S | * | * | trans | 22 | 106.1 | 157.7 | 54.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 318 | F | 23.6 | Very low | 24.3 | Very low | 143 Ų | 143 | 109.8 Ų | 109.8 | 63% | 0.627 | 62% | 0.622 | S | S | * | * | 84.7 | 145.7 | 79.1 | -72.3 | -46.2 | 0 | 0 | 0 | 113.7 | H509 T510 | F318-H509 AromaticContact CE2-NE2 3.99Å; F318-H509 AromaticContact CZ-CE1 3.52Å; F318-H509 AromaticContact CZ-ND1 3.99Å; F318-H509 AromaticContact CZ-NE2 3.29Å; F318-H509 VanDerWaalsContact CZ-NE2 3.29Å; F318-H509 WeakPolarHBondContact CZ-NE2 3.5Å; F318-T510 HydrophobicContact CE1-CG2 4.02Å; F318-T510 HydrophobicContact CZ-CG2 4.05Å | |||
| 319 | P | 23 | Very low | 24.2 | Very low | 111 Ų | 111 | 115.1 Ų | 115.1 | 72% | 0.721 | 64% | 0.635 | S | S | * | * | cis | -128.6 | 163 | -27.9 | 39.6 | -26 | 0 | 0 | 0 | 112.4 | ||||
| 320 | S | 22.2 | Very low | 24 | Very low | 107 Ų | 107 | 110.3 Ų | 110.3 | 75% | 0.748 | 62% | 0.624 | S | S | * | * | trans | -61.7 | 147.6 | 151.7 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 321 | K | 21.6 | Very low | 24 | Very low | 170 Ų | 170 | 108.3 Ų | 108.3 | 74% | 0.739 | 61% | 0.607 | S | S | * | * | -173 | 152.9 | 110.7 | -100.4 | -167 | 175.3 | -158.1 | 0 | 111 | |||||
| 322 | N | 20.4 | Very low | 23.9 | Very low | 106 Ų | 106 | 107.2 Ų | 107.2 | 57% | 0.567 | 59% | 0.593 | S | S | * | * | trans | 50.9 | 122.9 | 141.7 | -62.9 | 35.4 | 0 | 0 | 0 | 117.2 | ||||
| 323 | S | 21.1 | Very low | 23.7 | Very low | 90 Ų | 90 | 105.7 Ų | 105.7 | 63% | 0.629 | 58% | 0.579 | S | S | * | * | 57.6 | 147.9 | 58.7 | 88.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 324 | E | 20.6 | Very low | 23.6 | Very low | 139 Ų | 139 | 107.6 Ų | 107.6 | 65% | 0.65 | 58% | 0.584 | S | S | * | * | trans | 67.4 | 120.5 | -171.3 | -51.9 | 171.9 | 147.7 | 0 | 0 | 111.4 | ||||
| 325 | D | 27.8 | Very low | 23.6 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | cis | -144 | 156.5 | -10.6 | -97.4 | -37.8 | 0 | 0 | 0 | 107.8 | ||||
| 326 | T | 24.6 | Very low | 23.4 | Very low | 114 Ų | 114 | 113.4 Ų | 113.4 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | cis | 51.6 | 179.2 | 46.6 | 106.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 327 | P | 26 | Very low | 23.3 | Very low | 89 Ų | 89 | 115.1 Ų | 115.1 | 58% | 0.578 | 62% | 0.617 | S | S | * | * | -76.4 | -176.6 | -74.5 | 22.6 | -1.7 | 0 | 0 | 0 | 109 | |||||
| 328 | K | 25.3 | Very low | 23.2 | Very low | 167 Ų | 167 | 116.7 Ų | 116.7 | 73% | 0.726 | 62% | 0.623 | S | S | * | * | cis | -160.6 | 142 | 49.1 | -67.5 | 149.1 | -173.3 | 171.9 | 0 | 105.5 | S330 | K328-S330 VanDerWaalsContact C-N 3.29Š| ||
| 329 | L | 24.4 | Very low | 23.1 | Very low | 173 Ų | 173 | 115 Ų | 115 | 91% | 0.906 | 62% | 0.624 | S | S | * | * | cis | 58.3 | 32.3 | 32.6 | -152.4 | 100.3 | 0 | 0 | 0 | 114.2 | ||||
| 330 | S | 22.7 | Very low | 23.2 | Very low | 78 Ų | 78 | 116.1 Ų | 116.1 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | trans | -165.5 | 140.3 | 159.8 | 54.5 | 0 | 0 | 0 | 0 | 109.5 | K328 | K328-S330 VanDerWaalsContact C-N 3.29Š| ||
| 331 | H | 24.8 | Very low | 23.2 | Very low | 72 Ų | 72 | 118.7 Ų | 118.7 | 33% | 0.333 | 62% | 0.623 | S | S | . | * | cis | -145.5 | 156.8 | -23.7 | -122.4 | -119.2 | 0 | 0 | 0 | 102.1 | S1325 E1327 L1328 | H331-S1325 WeakPolarHBondContact O-CB 3.41Å; H331-E1327 PolarHBondContact ND1-O 3.41Å; H331-L1328 HydrophobicContact CB-CB 4.39Å; H331-L1328 HydrophobicContact CB-CD1 3.41Å; H331-L1328 VanDerWaalsContact CB-CD1 3.41Å; H331-L1328 HydrophobicContact CB-CG 3.44Å; H331-L1328 VanDerWaalsContact CB-CG 3.44Å | ||
| 332 | Y | 22.8 | Very low | 23.4 | Very low | 104 Ų | 104 | 114 Ų | 114 | 41% | 0.408 | 62% | 0.623 | S | S | . | * | 56.4 | 111.9 | 72.8 | -77.8 | -55.3 | 0 | 0 | 0 | 111.8 | E1327 L1328 | Y332-E1327 VanDerWaalsContact CB-CA 3.45Å; Y332-E1327 HydrophobicContact CD1-CB 4.05Å; Y332-E1327 HydrophobicContact CD1-CG 3.6Å; Y332-E1327 HydrophobicContact CE1-CG 4.03Å; Y332-E1327 WeakPolarHBondContact CE1-OE1 3.44Å; Y332-E1327 HydrophobicContact CG-CB 3.98Å; Y332-E1327 HydrophobicContact CG-CG 3.97Å; Y332-E1327 VanDerWaalsContact CZ-OE1 3.22Å; Y332-E1327 CarbonylContact O-C 3.56Å; Y332-L1328 VanDerWaalsContact O-CA 3.29Å; Y332-L1328 WeakPolarHBondContact O-CA 3.35Å; Y332-L1328 WeakPolarHBondContact O-CB 3.34Å; Y332-L1328 WeakPolarHBondContact O-CD1 3.14Å; Y332-L1328 VanDerWaalsContact O-CG 3.29Å; Y332-L1328 WeakPolarHBondContact O-CG 3.45Å; Y332-L1328 PolarHBondContact O-N 3.22Å | |||
| 333 | N | 22.8 | Very low | 23.6 | Very low | 47 Ų | 47 | 115.1 Ų | 115.1 | 25% | 0.251 | 63% | 0.629 | S | S | . | * | -151.9 | 164.5 | 106.1 | -148 | 55.4 | 0 | 0 | 0 | 117 | S1325 G1326 L1328 | N333-S1325 VanDerWaalsContact N-C 3.3Å; N333-S1325 PolarHBondContact N-OG 3.15Å; N333-S1325 CarbonylContact O-C 3.58Å; N333-S1325 PolarHBondContact O-OG 3.49Å; N333-G1326 VanDerWaalsContact C-N 3.31Å; N333-G1326 CarbonylContact C-O 3.52Å; N333-G1326 VanDerWaalsContact N-CA 3.27Å; N333-G1326 WeakPolarHBondContact O-CA 3.27Å; N333-G1326 PolarHBondContact O-N 3.2Å; N333-G1326 VanDerWaalsContact O-N 3.07Å; N333-L1328 HydrophobicContact CB-CB 4.13Å; N333-L1328 WeakPolarHBondContact CB-O 3.5Å; N333-L1328 VanDerWaalsContact CG-N 3.34Å; N333-L1328 VanDerWaalsContact N-N 3.18Å; N333-L1328 PolarHBondContact ND2-O 2.79Å; N333-L1328 WeakPolarHBondContact OD1-CA 3.43Å; N333-L1328 PolarHBondContact OD1-N 3.5Å; N333-L1328 PolarHBondContact OD1-O 2.92Å | |||
| 334 | E | 22.6 | Very low | 23.7 | Very low | 92 Ų | 92 | 119.1 Ų | 119.1 | 43% | 0.43 | 64% | 0.637 | S | S | . | * | -165.9 | -138.9 | -52.3 | -159.4 | -164.3 | -178.4 | 0 | 0 | 108.7 | G1326 | E334-G1326 WeakPolarHBondContact CA-O 3.37Å; E334-G1326 VanDerWaalsContact CB-O 3.28Å; E334-G1326 WeakPolarHBondContact CB-O 3.33Å; E334-G1326 WeakPolarHBondContact CG-O 3.38Å | |||
| 335 | K | 23 | Very low | 23.9 | Very low | 149 Ų | 149 | 121.6 Ų | 121.6 | 65% | 0.648 | 65% | 0.646 | S | S | * | * | trans | -36.2 | 148.5 | 170.5 | -56.1 | 143.7 | -176.8 | 141.4 | 0 | 113.4 | ||||
| 336 | S | 21.7 | Very low | 23.9 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | cis | -154.4 | 147.4 | 45.7 | -67.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 337 | M | 23.6 | Very low | 23.9 | Very low | 158 Ų | 158 | 123 Ų | 123 | 78% | 0.778 | 65% | 0.649 | S | S | * | * | 68.2 | 132.8 | 55.7 | -162.1 | -175.5 | 77.5 | 0 | 0 | 112.9 | |||||
| 338 | T | 22.9 | Very low | 23.7 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 74% | 0.742 | 65% | 0.647 | S | S | * | * | trans | 64 | 156.8 | -169.6 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 339 | T | 22.1 | Very low | 23.7 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 66% | 0.663 | 65% | 0.651 | S | S | * | * | cis | -143.4 | 149.7 | 21.1 | 28 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 340 | I | 24 | Very low | 23.7 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 68% | 0.682 | 64% | 0.639 | S | S | * | * | trans | 64.6 | 141.1 | 130.6 | -63.3 | 173.6 | 0 | 0 | 0 | 119.5 | ||||
| 341 | E | 22.3 | Very low | 23.9 | Very low | 162 Ų | 162 | 121.6 Ų | 121.6 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | cis | -161.2 | 171.1 | -20.4 | -111.9 | 162.8 | -150.4 | 0 | 0 | 108.4 | ||||
| 342 | G | 26.6 | Very low | 24 | Very low | 72 Ų | 72 | 122 Ų | 122 | 74% | 0.742 | 66% | 0.661 | S | S | * | * | trans | 137.2 | 54.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 343 | N | 23.8 | Very low | 24.1 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 68% | 0.684 | 67% | 0.674 | S | S | * | * | 65.7 | 83.6 | 58.8 | -159.3 | 18.1 | 0 | 0 | 0 | 112.4 | |||||
| 344 | E | 24.4 | Very low | 24.1 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | 177.8 | 115.5 | 122.5 | -94.8 | 177.2 | -170 | 0 | 0 | 112.6 | |||||
| 345 | K | 23.6 | Very low | 24.3 | Very low | 191 Ų | 191 | 127 Ų | 127 | 83% | 0.83 | 70% | 0.703 | S | S | * | * | 15.8 | 162.5 | 124.5 | -85.9 | 174.2 | -178 | 171.3 | 0 | 120.9 | |||||
| 346 | P | 28.2 | Very low | 24.4 | Very low | 89 Ų | 89 | 121.4 Ų | 121.4 | 58% | 0.578 | 68% | 0.683 | S | S | * | * | cis | -138.8 | -169.1 | -5.3 | 33.2 | -10.6 | 0 | 0 | 0 | 114.4 | ||||
| 347 | Q | 23.3 | Very low | 24.5 | Very low | 174 Ų | 174 | 124 Ų | 124 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | trans | 66.3 | 144.4 | 142.9 | -82.4 | 157.8 | 1.8 | 0 | 0 | 119.2 | ||||
| 348 | S | 22.9 | Very low | 24.5 | Very low | 78 Ų | 78 | 119.9 Ų | 119.9 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | cis | 171.4 | 168.3 | -19.9 | 42.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 349 | F | 25.1 | Very low | 24.5 | Very low | 182 Ų | 182 | 118.8 Ų | 118.8 | 80% | 0.798 | 68% | 0.677 | S | S | * | * | trans | 67.1 | 144.1 | 180 | -62.2 | -101.6 | 0 | 0 | 0 | 114.5 | ||||
| 350 | D | 24.9 | Very low | 24.5 | Very low | 122 Ų | 122 | 121 Ų | 121 | 65% | 0.652 | 69% | 0.685 | S | S | * | * | cis | -152.3 | 132.2 | -31.2 | -111.6 | -11.8 | 0 | 0 | 0 | 104.6 | ||||
| 351 | S | 25.4 | Very low | 24.6 | Very low | 95 Ų | 95 | 120 Ų | 120 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | 72.1 | 160.1 | 60.6 | 102.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 352 | A | 26.9 | Very low | 24.8 | Very low | 82 Ų | 82 | 116.6 Ų | 116.6 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | trans | 73.7 | 139.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 353 | I | 25.5 | Very low | 24.8 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | cis | -167.7 | 155.4 | -17.3 | -123.8 | 157.3 | 0 | 0 | 0 | 109.9 | ||||
| 354 | S | 24.1 | Very low | 25.4 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | 158.2 | 158.2 | 132.5 | 54.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 355 | N | 25.5 | Very low | 25.8 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | -170.7 | 124.4 | -78.4 | -89.8 | 6.3 | 0 | 0 | 0 | 109.7 | F474 | N355-F474 VanDerWaalsContact CA-CE2 3.45Š| |||
| 356 | S | 25.2 | Very low | 26.1 | Very low | 33 Ų | 33 | 112 Ų | 112 | 23% | 0.231 | 67% | 0.672 | C | S | . | * | trans | 168.2 | 131.6 | 154.9 | 56.4 | 0 | 0 | 0 | 0 | 112.9 | S473 F474 | S356-S473 PolarHBondContact OG-O 3.34Å; S356-S473 PolarHBondContact OG-OG 3.4Å; S356-F474 VanDerWaalsContact N-CD2 3.34Å; S356-F474 WeakPolarHBondContact O-CB 3.44Å; S356-F474 WeakPolarHBondContact O-CD2 3.34Å; S356-F474 WeakPolarHBondContact O-CG 3.39Å | ||
| 357 | D | 23.8 | Very low | 26.1 | Very low | 157 Ų | 157 | 112.1 Ų | 112.1 | 84% | 0.84 | 68% | 0.675 | S | S | * | * | cis | -165.8 | -155.8 | -16.7 | -142.9 | -79.4 | 0 | 0 | 0 | 109.6 | ||||
| 358 | A | 24.4 | Very low | 26.1 | Very low | 71 Ų | 71 | 110 Ų | 110 | 59% | 0.587 | 67% | 0.669 | S | S | * | * | trans | -64 | 149 | -176.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 359 | S | 22.6 | Very low | 26.3 | Very low | 97 Ų | 97 | 111.2 Ų | 111.2 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | 58.7 | 139.7 | 127 | 73 | 0 | 0 | 0 | 0 | 124 | |||||
| 360 | L | 22.8 | Very low | 26.3 | Very low | 156 Ų | 156 | 109.6 Ų | 109.6 | 82% | 0.817 | 67% | 0.673 | S | S | * | * | trans | 63.6 | 144.8 | 141.6 | -81.3 | 164.5 | 0 | 0 | 0 | 119.8 | ||||
| 361 | S | 25.1 | Very low | 26.4 | Very low | 110 Ų | 110 | 110.6 Ų | 110.6 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | trans | 59 | 137.5 | 163.4 | 47.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 362 | S | 26.1 | Very low | 26.2 | Very low | 91 Ų | 91 | 111.6 Ų | 111.6 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | cis | -173.8 | 152 | -10.1 | 46.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 363 | M | 26.3 | Very low | 26.1 | Very low | 170 Ų | 170 | 114.1 Ų | 114.1 | 84% | 0.837 | 68% | 0.682 | S | S | * | * | trans | 62.5 | 135.6 | 149.2 | -67.9 | 154.5 | 59.1 | 0 | 0 | 118.8 | ||||
| 364 | A | 36.9 | Very low | 25.9 | Very low | 64 Ų | 64 | 110.7 Ų | 110.7 | 53% | 0.529 | 68% | 0.68 | S | S | . | * | -3.1 | 132.5 | 129.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | V366 | A364-V366 HydrophobicContact CB-CB 3.6Å; A364-V366 HydrophobicContact CB-CG1 4.5Å; A364-V366 HydrophobicContact CB-CG2 3.64Å | |||
| 365 | P | 32.8 | Very low | 26 | Very low | 125 Ų | 125 | 111.2 Ų | 111.2 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | cis | -98.7 | 134.8 | 43.9 | -9.2 | 28.6 | 0 | 0 | 0 | 113 | ||||
| 366 | V | 30.5 | Very low | 25.8 | Very low | 110 Ų | 110 | 112.6 Ų | 112.6 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | cis | 51.6 | 117 | 13.6 | 179.6 | 0 | 0 | 0 | 0 | 114.3 | A364 | A364-V366 HydrophobicContact CB-CB 3.6Å; A364-V366 HydrophobicContact CB-CG1 4.5Å; A364-V366 HydrophobicContact CB-CG2 3.64Å | ||
| 367 | S | 27.8 | Very low | 25.9 | Very low | 91 Ų | 91 | 115.1 Ų | 115.1 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | 59.4 | 168 | 175 | 78.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 368 | D | 23.7 | Very low | 26.2 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 70% | 0.695 | 70% | 0.699 | S | S | * | * | cis | -111.7 | 164.6 | -0.3 | -44.9 | -63 | 0 | 0 | 0 | 109.4 | ||||
| 369 | S | 27.4 | Very low | 26.5 | Very low | 103 Ų | 103 | 115.9 Ų | 115.9 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | cis | -148.1 | 125.1 | 20.2 | 29.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 370 | E | 24.1 | Very low | 26.6 | Very low | 149 Ų | 149 | 118.9 Ų | 118.9 | 70% | 0.696 | 70% | 0.704 | S | S | * | * | 88.2 | 151.9 | 78.4 | -79.4 | -169.6 | 147.2 | 0 | 0 | 114.5 | |||||
| 371 | H | 27.4 | Very low | 26.8 | Very low | 142 Ų | 142 | 118.1 Ų | 118.1 | 66% | 0.657 | 70% | 0.696 | S | S | * | * | trans | 60.5 | 97.9 | 154.2 | -71.9 | -53.7 | 0 | 0 | 0 | 121.3 | ||||
| 372 | T | 21.8 | Very low | 26.8 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 71% | 0.712 | 69% | 0.69 | S | S | * | * | 75.4 | 141.7 | 129.1 | 47.2 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 373 | V | 24.4 | Very low | 26.8 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | 39.6 | 83.4 | 84.5 | -168.9 | 0 | 0 | 0 | 0 | 112.5 | V375 | V373-V375 HydrophobicContact CG1-CG2 4.48Š| |||
| 374 | G | 21.7 | Very low | 26.7 | Very low | 63 Ų | 63 | 116.1 Ų | 116.1 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | trans | -177.9 | 91.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 375 | V | 25.3 | Very low | 26.3 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | cis | 61.9 | 47.7 | 32.3 | -162.4 | 0 | 0 | 0 | 0 | 111.9 | V373 T377 | V373-V375 HydrophobicContact CG1-CG2 4.48Å; V375-T377 HydrophobicContact CB-CG2 4.45Å; V375-T377 HydrophobicContact CG1-CG2 3.54Å | ||
| 376 | V | 21.9 | Very low | 26.1 | Very low | 139 Ų | 139 | 118.7 Ų | 118.7 | 84% | 0.842 | 69% | 0.686 | S | S | * | * | trans | -125.4 | 67.6 | 155.5 | -169.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 377 | T | 28.1 | Very low | 25.8 | Very low | 86 Ų | 86 | 119 Ų | 119 | 53% | 0.528 | 68% | 0.684 | S | S | . | * | 56.3 | 125.2 | 77.8 | 68.4 | 0 | 0 | 0 | 0 | 115.5 | V375 | V375-T377 HydrophobicContact CB-CG2 4.45Å; V375-T377 HydrophobicContact CG1-CG2 3.54Å | |||
| 378 | I | 29.9 | Very low | 25.8 | Very low | 137 Ų | 137 | 121.1 Ų | 121.1 | 70% | 0.703 | 68% | 0.683 | S | S | * | * | trans | 73.1 | 146.4 | 152.6 | -64.2 | 157.2 | 0 | 0 | 0 | 115.6 | ||||
| 379 | P | 29.2 | Very low | 26 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 69% | 0.688 | 68% | 0.681 | S | S | * | * | cis | -90.5 | 169.6 | -5.3 | 2.1 | 21.1 | 0 | 0 | 0 | 112.4 | ||||
| 380 | K | 25 | Very low | 25.9 | Very low | 160 Ų | 160 | 123 Ų | 123 | 70% | 0.696 | 68% | 0.676 | S | S | * | * | 50.4 | 151.2 | 66.2 | -29.5 | 174.7 | -165.4 | 174.4 | 0 | 112.6 | |||||
| 381 | H | 27.6 | Very low | 25.9 | Very low | 140 Ų | 140 | 122 Ų | 122 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | cis | -153.8 | 147 | 15.6 | -116.2 | -64.5 | 0 | 0 | 0 | 107.7 | ||||
| 382 | N | 25.7 | Very low | 25.7 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | trans | 61.1 | -179.3 | 144.9 | -70.3 | 33.9 | 0 | 0 | 0 | 116.4 | ||||
| 383 | D | 26.2 | Very low | 26 | Very low | 113 Ų | 113 | 120.9 Ų | 120.9 | 60% | 0.604 | 66% | 0.664 | S | S | * | * | cis | -132.9 | 124 | -33.1 | -110.4 | -33.8 | 0 | 0 | 0 | 105.1 | ||||
| 384 | T | 24.2 | Very low | 26 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 61% | 0.607 | 65% | 0.653 | S | S | * | * | 60.3 | 144.9 | 93.1 | 70.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 385 | H | 27.1 | Very low | 26.2 | Very low | 173 Ų | 173 | 124.6 Ų | 124.6 | 80% | 0.801 | 66% | 0.655 | S | S | * | * | trans | 70.8 | 156.4 | 166 | -53.8 | -58.2 | 0 | 0 | 0 | 118.6 | ||||
| 386 | G | 29 | Very low | 26 | Very low | 69 Ų | 69 | 123.7 Ų | 123.7 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | trans | 84.9 | 60.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 387 | N | 24 | Very low | 26.1 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 63% | 0.626 | 64% | 0.641 | S | S | * | * | cis | 54.4 | 127.8 | 34.1 | -160.3 | 31.4 | 0 | 0 | 0 | 113.7 | ||||
| 388 | H | 28.2 | Very low | 25.9 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 63% | 0.63 | 65% | 0.649 | S | S | * | * | trans | 66.8 | 138.8 | -172.2 | -46.9 | -72.8 | 0 | 0 | 0 | 113.7 | ||||
| 389 | H | 27.1 | Very low | 25.7 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 66% | 0.657 | 65% | 0.649 | S | S | * | * | cis | -160.8 | 167.1 | -9.3 | -116.4 | -22.3 | 0 | 0 | 0 | 109.2 | ||||
| 390 | H | 26.3 | Very low | 25.4 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 60% | 0.602 | 65% | 0.649 | S | S | * | * | 46.6 | 127.5 | 85.5 | -133 | 11.4 | 0 | 0 | 0 | 110.1 | D392 | H390-D392 IonicContact CE1-OD2 3.52Å; H390-D392 PolarHBondContact CE1-OD2 3.13Å; H390-D392 VanDerWaalsContact CE1-OD2 3.31Å; H390-D392 IonicContact CG-OD2 3.31Å; H390-D392 IonicContact ND1-OD2 2.74Å; H390-D392 PolarHBondContact ND1-OD2 3.31Å | |||
| 391 | L | 24.5 | Very low | 25.4 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 67% | 0.665 | 65% | 0.648 | S | S | * | * | cis | -128.4 | 147.6 | 23.1 | -91.1 | 89.5 | 0 | 0 | 0 | 109.9 | ||||
| 392 | D | 22.5 | Very low | 25.3 | Very low | 77 Ų | 77 | 122.8 Ų | 122.8 | 41% | 0.412 | 66% | 0.655 | S | S | . | * | 51.6 | 115.2 | 72.7 | -62.8 | -82.3 | 0 | 0 | 0 | 114.1 | H390 Q394 | H390-D392 IonicContact CE1-OD2 3.52Å; H390-D392 PolarHBondContact CE1-OD2 3.13Å; H390-D392 VanDerWaalsContact CE1-OD2 3.31Å; H390-D392 IonicContact CG-OD2 3.31Å; H390-D392 IonicContact ND1-OD2 2.74Å; H390-D392 PolarHBondContact ND1-OD2 3.31Å; D392-Q394 PolarHBondContact OD1-NE2 2.76Å | |||
| 393 | Q | 27.3 | Very low | 25.2 | Very low | 158 Ų | 158 | 122.5 Ų | 122.5 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | -165.3 | 116.1 | 117.1 | -98.7 | 139.2 | 74.7 | 0 | 0 | 106.6 | |||||
| 394 | Q | 24.9 | Very low | 25.2 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 60% | 0.598 | 66% | 0.661 | S | S | * | * | cis | 53.9 | 76.5 | 44.4 | -52.3 | -162.5 | 34 | 0 | 0 | 113.2 | D392 T396 | D392-Q394 PolarHBondContact OD1-NE2 2.76Å; Q394-T396 HydrophobicContact CB-CG2 4.43Å | ||
| 395 | H | 27.2 | Very low | 25.3 | Very low | 149 Ų | 149 | 123.2 Ų | 123.2 | 69% | 0.69 | 67% | 0.666 | S | S | * | * | -123.2 | 126 | 124.1 | -80.6 | -73.5 | 0 | 0 | 0 | 106.5 | |||||
| 396 | T | 21.2 | Very low | 25.1 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 58% | 0.577 | 66% | 0.662 | S | S | * | * | cis | 63.4 | 160.8 | 37.8 | 86.2 | 0 | 0 | 0 | 0 | 113.1 | Q394 | Q394-T396 HydrophobicContact CB-CG2 4.43Š| ||
| 397 | I | 23.8 | Very low | 24.9 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 66% | 0.656 | 66% | 0.66 | S | S | * | * | trans | 72.5 | 82 | -171.5 | -48.1 | 170.1 | 0 | 0 | 0 | 111.1 | ||||
| 398 | T | 23.4 | Very low | 25 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 69% | 0.693 | 66% | 0.66 | S | S | * | * | 68.5 | 154.7 | 68.2 | 74.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 399 | T | 24.6 | Very low | 24.8 | Very low | 115 Ų | 115 | 123 Ų | 123 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | trans | 62.7 | 135.2 | 160.4 | 52.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 400 | D | 23.1 | Very low | 24.6 | Very low | 128 Ų | 128 | 121.7 Ų | 121.7 | 68% | 0.684 | 67% | 0.666 | S | S | * | * | cis | -160.2 | -174.7 | -17.7 | -139.8 | -70.1 | 0 | 0 | 0 | 111 | ||||
| 401 | T | 25.7 | Very low | 24.5 | Very low | 111 Ų | 111 | 120.9 Ų | 120.9 | 68% | 0.681 | 67% | 0.671 | S | S | * | * | trans | -53 | -173.6 | 161.7 | 56.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 402 | I | 25.3 | Very low | 24.4 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | trans | 92.2 | 129 | 174.8 | -56.3 | 161.8 | 0 | 0 | 0 | 113.5 | ||||
| 403 | V | 24.5 | Very low | 24.4 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 67% | 0.673 | 69% | 0.689 | S | S | * | * | cis | -154 | 128.5 | -13.3 | 123.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 404 | T | 25.8 | Very low | 24.2 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 69% | 0.693 | 69% | 0.689 | S | S | * | * | 66.2 | 136.4 | 75.8 | -40.2 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 405 | T | 25.3 | Very low | 24.2 | Very low | 115 Ų | 115 | 118.7 Ų | 118.7 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | 67 | 148.3 | 171.1 | 10.6 | 0 | 0 | 0 | 0 | 113.8 | I407 | T405-I407 HydrophobicContact CG2-CD1 4.29Š| ||
| 406 | I | 24.5 | Very low | 24 | Very low | 141 Ų | 141 | 117.6 Ų | 117.6 | 72% | 0.723 | 70% | 0.699 | S | S | * | * | cis | -142.5 | 126.2 | 35.2 | -78.6 | -171.2 | 0 | 0 | 0 | 106.4 | ||||
| 407 | I | 24.7 | Very low | 24.2 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 67% | 0.667 | 70% | 0.704 | S | S | * | * | 55.9 | 132.3 | 94.7 | -70.7 | 163.1 | 0 | 0 | 0 | 112.5 | T405 | T405-I407 HydrophobicContact CG2-CD1 4.29Š| |||
| 408 | T | 24.3 | Very low | 24.2 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | cis | -165.9 | -178.3 | -17.4 | 39.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 409 | T | 24.3 | Very low | 24.3 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | trans | 64.1 | 151.5 | 150.1 | 46.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 410 | T | 24.3 | Very low | 24.3 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 69% | 0.693 | 71% | 0.706 | S | S | * | * | cis | -155.8 | 146.9 | -3.3 | 1.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 411 | T | 23 | Very low | 24.4 | Very low | 113 Ų | 113 | 118.3 Ų | 118.3 | 69% | 0.693 | 71% | 0.707 | S | S | * | * | trans | 23.9 | 141.7 | 142.5 | 58.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 412 | T | 23.2 | Very low | 24.3 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | trans | 81.1 | 126.3 | 135.1 | 46 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 413 | T | 23.1 | Very low | 24.3 | Very low | 125 Ų | 125 | 116 Ų | 116 | 77% | 0.767 | 70% | 0.701 | S | S | * | * | trans | 70.8 | 129.4 | 135.7 | 54.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 414 | A | 23.2 | Very low | 24.4 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | 71.1 | 159.2 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 415 | T | 24 | Very low | 24.3 | Very low | 116 Ų | 116 | 116.3 Ų | 116.3 | 71% | 0.712 | 70% | 0.703 | S | S | * | * | cis | -166.4 | 143.4 | -26.8 | 27.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 416 | T | 23.4 | Very low | 24.2 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 78% | 0.779 | 71% | 0.707 | S | S | * | * | trans | 60.2 | 165.7 | 160.9 | 48 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 417 | T | 25.8 | Very low | 24.4 | Very low | 111 Ų | 111 | 117 Ų | 117 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | cis | -154.2 | 145.7 | 4.5 | -11.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 418 | T | 23 | Very low | 24.4 | Very low | 115 Ų | 115 | 117.4 Ų | 117.4 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | 25.8 | 169.8 | 139.9 | 57.8 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 419 | I | 25.9 | Very low | 24.5 | Very low | 141 Ų | 141 | 117.5 Ų | 117.5 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | trans | 88.4 | 82.8 | 168.4 | -53 | 171.4 | 0 | 0 | 0 | 112 | ||||
| 420 | T | 23.9 | Very low | 24.5 | Very low | 110 Ų | 110 | 118.8 Ų | 118.8 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | 75.6 | 154.2 | 70.7 | 67.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 421 | T | 24.8 | Very low | 24.6 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | trans | 67.8 | 135.8 | 154.7 | 41.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 422 | T | 24.9 | Very low | 24.9 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | cis | -168.1 | 162.9 | -13.5 | 7.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 423 | T | 24.6 | Very low | 25.1 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 64% | 0.644 | 71% | 0.709 | S | S | * | * | trans | 51.2 | 127.3 | 143.9 | 58.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 424 | T | 25.5 | Very low | 25.4 | Very low | 121 Ų | 121 | 119 Ų | 119 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | trans | 65.4 | 153.9 | 130.9 | 63.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 425 | T | 24.1 | Very low | 25.8 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | cis | -172.6 | 168.7 | -13.7 | 31.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 426 | M | 24.6 | Very low | 26.1 | Very low | 162 Ų | 162 | 120.7 Ų | 120.7 | 80% | 0.798 | 71% | 0.707 | S | S | * | * | trans | 73.2 | 152.8 | 159.6 | -55.2 | -136.7 | 167.3 | 0 | 0 | 115.5 | ||||
| 427 | T | 27.2 | Very low | 26.4 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | cis | -154.2 | 153.5 | -7.9 | 4.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 428 | N | 25.3 | Very low | 26.5 | Very low | 138 Ų | 138 | 126 Ų | 126 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | 18.2 | 145.1 | 144.5 | -63.7 | -2.2 | 0 | 0 | 0 | 122.6 | ||||
| 429 | S | 26.3 | Very low | 26.6 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 71% | 0.713 | S | S | * | * | trans | 72.9 | 153.1 | 136.5 | 70.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 430 | N | 25 | Very low | 26.6 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | cis | -159.1 | 161.9 | -17.5 | -116 | 0.3 | 0 | 0 | 0 | 110.5 | ||||
| 431 | S | 25.3 | Very low | 26.7 | Very low | 89 Ų | 89 | 126.6 Ų | 126.6 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | trans | 57.2 | 167 | 145.3 | 66.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 432 | D | 29.3 | Very low | 26.8 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | trans | 74.8 | 143.8 | 153.6 | -61 | -53.8 | 0 | 0 | 0 | 121.2 | ||||
| 433 | N | 27.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | cis | -169.3 | 164.3 | -35.6 | -136.4 | -44.6 | 0 | 0 | 0 | 110.5 | ||||
| 434 | N | 29.6 | Very low | 26.9 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | trans | 62.3 | 161.5 | 169.6 | -56.7 | -60.5 | 0 | 0 | 0 | 115.2 | ||||
| 435 | S | 31.6 | Very low | 27 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 74% | 0.74 | S | S | * | * | cis | -150.5 | 129.4 | 15.1 | 47.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 436 | N | 30.3 | Very low | 27.3 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | 94.5 | 136 | 61.7 | -92.1 | -42.3 | 0 | 0 | 0 | 115.3 | |||||
| 437 | K | 29.6 | Very low | 27.4 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 73% | 0.73 | 74% | 0.738 | S | S | * | * | trans | 75.4 | 97.6 | 159 | -67.5 | 176.4 | 177.4 | 179.1 | 0 | 121.4 | N439 | K437-N439 HydrophobicContact CB-CB 4.48Š| ||
| 438 | L | 27.6 | Very low | 27.4 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 94% | 0.942 | 75% | 0.745 | S | S | * | * | -169.9 | 69.4 | 129.9 | -107.1 | 167.8 | 0 | 0 | 0 | 107.8 | |||||
| 439 | N | 26.1 | Very low | 27.5 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | cis | 74.7 | 88.6 | 47 | -135.8 | 81.2 | 0 | 0 | 0 | 114.6 | K437 | K437-N439 HydrophobicContact CB-CB 4.48Š| ||
| 440 | S | 25.9 | Very low | 27.6 | Very low | 95 Ų | 95 | 139 Ų | 139 | 66% | 0.664 | 74% | 0.744 | S | S | * | * | trans | 56.5 | 107.5 | 143.3 | 65 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 441 | L | 25 | Very low | 27.6 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | trans | -155.3 | 154.2 | 145.4 | -109.9 | 151.7 | 0 | 0 | 0 | 110.2 | ||||
| 442 | C | 27.5 | Very low | 27.6 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 72% | 0.723 | 75% | 0.745 | S | S | * | * | trans | 62.4 | 59.2 | 174.4 | -57.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 443 | Q | 26.7 | Very low | 27.4 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | -68.2 | 150.2 | 127.8 | -79.4 | -179.7 | -41.8 | 0 | 0 | 109.1 | |||||
| 444 | K | 25.8 | Very low | 27.3 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | trans | 77.4 | 144.5 | 176.9 | -51.6 | 178.5 | 178.4 | -177.8 | 0 | 115.8 | ||||
| 445 | L | 27.6 | Very low | 27 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 97.8 | 115.3 | -167.8 | -64.8 | 164.2 | 0 | 0 | 0 | 113.1 | ||||
| 446 | N | 30.3 | Very low | 26.7 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | cis | -143 | 134.8 | -27.7 | -88.8 | -21.3 | 0 | 0 | 0 | 103.8 | ||||
| 447 | D | 25.5 | Very low | 26.4 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | 63.2 | 121.5 | 63.5 | -74.7 | -36.7 | 0 | 0 | 0 | 115.4 | |||||
| 448 | H | 27.2 | Very low | 26.2 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | trans | 66.1 | 134.8 | -176.6 | -53.9 | -79.4 | 0 | 0 | 0 | 115.2 | ||||
| 449 | V | 27.6 | Very low | 26.1 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | cis | -145.7 | 135.4 | 48.8 | 156.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 450 | I | 28.5 | Very low | 26 | Very low | 134 Ų | 134 | 134 Ų | 134 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | trans | 33.4 | 113.9 | 144.2 | -52.6 | 172.3 | 0 | 0 | 0 | 117.2 | ||||
| 451 | A | 25.6 | Very low | 26 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | cis | 75.2 | 169.8 | 44.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 452 | S | 24.5 | Very low | 26 | Very low | 96 Ų | 96 | 131.1 Ų | 131.1 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | trans | 70.7 | 122 | -166.8 | -6.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 453 | N | 25 | Very low | 25.9 | Very low | 139 Ų | 139 | 132.3 Ų | 132.3 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | 69.9 | 135.7 | 63.6 | -62.8 | 17.3 | 0 | 0 | 0 | 110.9 | |||||
| 454 | D | 25.4 | Very low | 25.8 | Very low | 120 Ų | 120 | 130 Ų | 130 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | cis | -141 | 142.2 | 29.6 | -96.4 | -51.1 | 0 | 0 | 0 | 112.8 | ||||
| 455 | Q | 24.7 | Very low | 25.7 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 72% | 0.715 | 70% | 0.698 | S | S | * | * | 49.3 | 98.5 | 98.4 | -59.8 | -176.1 | 54.3 | 0 | 0 | 114.3 | |||||
| 456 | S | 23.8 | Very low | 25.5 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | 101.7 | -178.6 | 97.2 | 74.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 457 | V | 24.9 | Very low | 25.1 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | trans | 65.2 | 119.4 | 163.5 | 167.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 458 | I | 25.9 | Very low | 25 | Very low | 135 Ų | 135 | 128 Ų | 128 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | cis | -148.1 | 142.7 | 9.4 | -129.7 | 172.2 | 0 | 0 | 0 | 110.9 | ||||
| 459 | N | 23.7 | Very low | 24.9 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 64% | 0.642 | 69% | 0.694 | S | S | * | * | trans | 17.3 | 143.7 | 132.9 | -71.8 | -16.4 | 0 | 0 | 0 | 120.1 | ||||
| 460 | N | 25.5 | Very low | 24.7 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 77% | 0.765 | 70% | 0.703 | S | S | * | * | trans | 82.5 | 144.6 | 139.7 | -66.4 | -12.6 | 0 | 0 | 0 | 119.3 | ||||
| 461 | S | 25.1 | Very low | 24.5 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | cis | -169.6 | 174.6 | -21.4 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 462 | N | 25.2 | Very low | 24.4 | Very low | 122 Ų | 122 | 137 Ų | 137 | 65% | 0.652 | 71% | 0.706 | S | S | * | * | trans | 54.4 | 110.2 | 139.1 | -67.9 | -7.7 | 0 | 0 | 0 | 119 | ||||
| 463 | N | 25.4 | Very low | 24.5 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | 73.8 | 171.4 | 121.7 | -54.2 | -16.8 | 0 | 0 | 0 | 116.2 | |||||
| 464 | L | 23.8 | Very low | 24.5 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 71% | 0.707 | 69% | 0.69 | S | S | * | * | cis | -143.8 | 152.8 | -3.6 | -155.1 | 50.4 | 0 | 0 | 0 | 109.7 | ||||
| 465 | D | 24.1 | Very low | 24.6 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 51% | 0.513 | 69% | 0.685 | S | S | . | * | trans | 30.5 | 140.3 | 146.5 | -76 | -11.7 | 0 | 0 | 0 | 123.8 | ||||
| 466 | K | 23.8 | Very low | 24.9 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 61% | 0.609 | 68% | 0.683 | S | S | * | * | 37.7 | 126.4 | 123.4 | -41.4 | 168.1 | -178.8 | 81.6 | 0 | 116 | |||||
| 467 | F | 22.4 | Very low | 25 | Very low | 162 Ų | 162 | 133 Ų | 133 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | -177.1 | 156.4 | 72.8 | -104.6 | -69.2 | 0 | 0 | 0 | 113.9 | |||||
| 468 | K | 23.3 | Very low | 25.1 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 73% | 0.73 | 68% | 0.681 | S | S | * | * | trans | 61 | 104.3 | 148.1 | -75.8 | 152.9 | -173 | 161.3 | 0 | 118.9 | ||||
| 469 | M | 24.2 | Very low | 25 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 91% | 0.906 | 68% | 0.684 | S | S | * | * | 17.3 | 124.9 | 115 | -70.4 | -178.2 | 162 | 0 | 0 | 117.8 | |||||
| 470 | K | 23.7 | Very low | 25.1 | Very low | 212 Ų | 212 | 137 Ų | 137 | 92% | 0.922 | 69% | 0.689 | S | S | * | * | -157.1 | 140.8 | 117.3 | -115.4 | 174.2 | -177.3 | -177.1 | 0 | 113.5 | |||||
| 471 | K | 24.1 | Very low | 24.9 | Very low | 188 Ų | 188 | 135 Ų | 135 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | trans | -61.7 | 146.8 | 173.5 | -56 | 173.3 | 168.8 | -171.3 | 0 | 111.9 | ||||
| 472 | N | 24.8 | Very low | 24.9 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | 176.5 | 104.7 | 107.1 | -92.2 | 9.3 | 0 | 0 | 0 | 113 | |||||
| 473 | S | 25.9 | Very low | 24.8 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 54% | 0.538 | 70% | 0.698 | S | S | . | * | trans | 14 | 131.1 | 132.3 | 58.4 | 0 | 0 | 0 | 0 | 121.4 | S356 | S356-S473 PolarHBondContact OG-O 3.34Å; S356-S473 PolarHBondContact OG-OG 3.4Å | ||
| 474 | F | 24.9 | Very low | 24.6 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 53% | 0.526 | 70% | 0.696 | S | S | . | * | -162.5 | -171.2 | 95.4 | -129.3 | -107.9 | 0 | 0 | 0 | 116.2 | N355 S356 | N355-F474 VanDerWaalsContact CA-CE2 3.45Å; S356-F474 VanDerWaalsContact N-CD2 3.34Å; S356-F474 WeakPolarHBondContact O-CB 3.44Å; S356-F474 WeakPolarHBondContact O-CD2 3.34Å; S356-F474 WeakPolarHBondContact O-CG 3.39Å | |||
| 475 | S | 27.2 | Very low | 24.6 | Very low | 77 Ų | 77 | 138.8 Ų | 138.8 | 54% | 0.538 | 69% | 0.687 | S | S | . | * | trans | -109.5 | 150.7 | -147.9 | 65.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 476 | S | 30.4 | Very low | 24.8 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 69% | 0.69 | S | S | * | * | trans | 38.2 | 130 | 131.9 | -48 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 477 | N | 26.3 | Very low | 24.8 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 69% | 0.694 | S | S | * | * | -172.1 | 135.8 | 94.8 | -98.9 | -32.7 | 0 | 0 | 0 | 115.9 | |||||
| 478 | D | 26.9 | Very low | 24.9 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 60% | 0.604 | 69% | 0.694 | S | S | * | * | 35.8 | 112.9 | 127.8 | -102.9 | 12.5 | 0 | 0 | 0 | 119.6 | |||||
| 479 | R | 25.3 | Very low | 25.1 | Very low | 199 Ų | 199 | 134 Ų | 134 | 75% | 0.751 | 70% | 0.695 | S | S | * | * | 154 | 147.1 | 88.3 | -103 | 171.3 | -153.4 | -157.5 | 4.6 | 117.9 | |||||
| 480 | M | 24.2 | Very low | 25.3 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | trans | 80.7 | 117.8 | 136.9 | -77.9 | 172.6 | 62.7 | 0 | 0 | 123 | ||||
| 481 | V | 23 | Very low | 25.4 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | 89.7 | 98.6 | 127.2 | 175.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 482 | Q | 23.7 | Very low | 25.5 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 78% | 0.776 | 67% | 0.667 | S | S | * | * | 46.7 | 130 | 128.9 | -53.9 | 178.6 | -73 | 0 | 0 | 120.6 | |||||
| 483 | S | 23.5 | Very low | 25.5 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | trans | 72.5 | 151.3 | 143.3 | 76.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 484 | E | 21.9 | Very low | 25.5 | Very low | 141 Ų | 141 | 124 Ų | 124 | 66% | 0.659 | 67% | 0.666 | S | S | * | * | cis | -162.1 | 177.3 | 12.6 | -148.2 | 178.8 | -162.5 | 0 | 0 | 111.3 | ||||
| 485 | Y | 23.1 | Very low | 25.5 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 52% | 0.522 | 68% | 0.679 | S | S | . | * | trans | 77.3 | 130.5 | 164.9 | -83 | -107.8 | 0 | 0 | 0 | 121.5 | L290 N291 | L290-Y485 HydrophobicContact CD1-CD1 3.53Å; L290-Y485 HydrophobicContact CD1-CD2 3.97Å; L290-Y485 HydrophobicContact CD1-CE1 3.58Å; L290-Y485 HydrophobicContact CD1-CE2 4.02Å; L290-Y485 HydrophobicContact CD1-CG 3.68Å; L290-Y485 HydrophobicContact CD2-CD1 3.61Å; L290-Y485 HydrophobicContact CD2-CE1 3.62Å; L290-Y485 HydrophobicContact CG-CD1 3.77Å; L290-Y485 HydrophobicContact CG-CE1 3.48Å; L290-Y485 VanDerWaalsContact CG-CE1 3.48Å; L290-Y485 HydrophobicContact CG-CG 4.42Å; N291-Y485 PolarHBondContact ND2-OH 3.44Å | ||
| 486 | H | 28.1 | Very low | 25.4 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | trans | -65.9 | 169.8 | 164.7 | -50.8 | 179.8 | 0 | 0 | 0 | 111.3 | L290 | L290-H486 HydrophobicContact CD1-CB 4.47Å; L290-H486 HydrophobicContact CD2-CB 3.9Å | ||
| 487 | T | 24.4 | Very low | 25.2 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 69% | 0.685 | S | S | * | * | 178.3 | 138.9 | 100.8 | 28.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 488 | S | 25 | Very low | 25.2 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | trans | 65.9 | 161.1 | 144.6 | 70.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 489 | T | 26.9 | Very low | 25.4 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 69% | 0.685 | S | S | * | * | cis | -168.2 | 159.9 | 1.4 | 9.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 490 | S | 27.7 | Very low | 25.6 | Very low | 86 Ų | 86 | 124.5 Ų | 124.5 | 60% | 0.601 | 67% | 0.669 | S | S | * | * | cis | -178.7 | -157.2 | -10.4 | 48.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 491 | N | 26.3 | Very low | 25.8 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 69% | 0.69 | 66% | 0.664 | S | S | * | * | trans | 89.9 | 134.3 | 163.8 | -52.7 | -6.7 | 0 | 0 | 0 | 114.9 | ||||
| 492 | L | 25.7 | Very low | 26.2 | Very low | 146 Ų | 146 | 126 Ų | 126 | 76% | 0.764 | 67% | 0.67 | S | S | * | * | cis | -169.2 | 158.3 | -10.7 | -128 | 33.9 | 0 | 0 | 0 | 104.7 | ||||
| 493 | S | 25.7 | Very low | 26.3 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 51% | 0.51 | 66% | 0.664 | S | S | . | * | cis | -175.3 | -179.5 | -16.2 | 48 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 494 | Q | 25.3 | Very low | 26.4 | Very low | 150 Ų | 150 | 128 Ų | 128 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | trans | 43.4 | 108.6 | 149.8 | -67.4 | 147.1 | -29.4 | 0 | 0 | 117.1 | ||||
| 495 | T | 25.8 | Very low | 26.6 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | -155.8 | 130.3 | 66.6 | 28.8 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 496 | Q | 25.5 | Very low | 26.7 | Very low | 140 Ų | 140 | 127 Ų | 127 | 65% | 0.654 | 68% | 0.675 | S | S | * | * | cis | 60.4 | 111.1 | 47.7 | -160.5 | -163.8 | -50.8 | 0 | 0 | 111.2 | ||||
| 497 | E | 25.8 | Very low | 26.5 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | -179.6 | 170 | 113.7 | -96.2 | -177.5 | 156.6 | 0 | 0 | 114.1 | |||||
| 498 | E | 25.7 | Very low | 26.4 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 61% | 0.612 | 68% | 0.68 | S | S | * | * | trans | -12.5 | 135.3 | 164.4 | -47.9 | -169.2 | 96.8 | 0 | 0 | 116.5 | K501 | E498-K501 IonicContact OE1-NZ 3.86Å; E498-K501 PolarHBondContact OE1-NZ 3.48Å | ||
| 499 | I | 31.6 | Very low | 26.4 | Very low | 154 Ų | 154 | 131.7 Ų | 131.7 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | -152.3 | 114.1 | 65.3 | -82.5 | 155.2 | 0 | 0 | 0 | 106.7 | |||||
| 500 | S | 28.2 | Very low | 26.2 | Very low | 59 Ų | 59 | 129.6 Ų | 129.6 | 41% | 0.413 | 66% | 0.663 | S | S | . | * | 72.2 | 143.6 | 50.2 | 95.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 501 | K | 29.5 | Very low | 25.9 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 65% | 0.648 | 66% | 0.662 | S | S | * | * | trans | 54.3 | 78.8 | 151.2 | -50.7 | 156.2 | -155 | 129.1 | 0 | 115.2 | E498 | E498-K501 IonicContact OE1-NZ 3.86Å; E498-K501 PolarHBondContact OE1-NZ 3.48Å | ||
| 502 | N | 31 | Very low | 25.8 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | -174.7 | 113.7 | 109.5 | -86.7 | -25.1 | 0 | 0 | 0 | 111.1 | |||||
| 503 | I | 25.6 | Very low | 25.7 | Very low | 125 Ų | 125 | 124.5 Ų | 124.5 | 64% | 0.641 | 63% | 0.631 | S | S | * | * | 85.4 | 109.8 | 102.8 | -73.7 | 172.7 | 0 | 0 | 0 | 110.6 | |||||
| 504 | F | 25.3 | Very low | 25.6 | Very low | 192 Ų | 192 | 126 Ų | 126 | 84% | 0.842 | 63% | 0.633 | S | S | * | * | 65.2 | 160.2 | 81.1 | -113.1 | -111.3 | 0 | 0 | 0 | 113.6 | |||||
| 505 | N | 26.1 | Very low | 25.6 | Very low | 114 Ų | 114 | 124 Ų | 124 | 61% | 0.61 | 63% | 0.628 | S | S | * | * | trans | 71.9 | 103.4 | 169.3 | -58.2 | -35.5 | 0 | 0 | 0 | 115.2 | ||||
| 506 | L | 25.3 | Very low | 25.7 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | 72.1 | 97.4 | 95.4 | -90 | 71.4 | 0 | 0 | 0 | 111.1 | |||||
| 507 | T | 23.8 | Very low | 25.7 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 63% | 0.632 | 62% | 0.624 | S | S | * | * | 60.4 | 145.9 | 86.2 | 70.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 508 | R | 22.9 | Very low | 26 | Very low | 203 Ų | 203 | 125.3 Ų | 125.3 | 77% | 0.766 | 63% | 0.627 | S | S | * | * | trans | 82.4 | 143.5 | 142 | -88.2 | 170.1 | 177.7 | 156.7 | -1.4 | 118.9 | ||||
| 509 | H | 24.7 | Very low | 25.9 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | trans | 64.6 | 95.1 | 152.1 | -61.5 | -44.6 | 0 | 0 | 0 | 117.3 | F318 | F318-H509 AromaticContact CE2-NE2 3.99Å; F318-H509 AromaticContact CZ-CE1 3.52Å; F318-H509 AromaticContact CZ-ND1 3.99Å; F318-H509 AromaticContact CZ-NE2 3.29Å; F318-H509 VanDerWaalsContact CZ-NE2 3.29Å; F318-H509 WeakPolarHBondContact CZ-NE2 3.5Å | ||
| 510 | T | 21.9 | Very low | 25.6 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 49% | 0.491 | 64% | 0.636 | S | S | . | * | 74.9 | 173.7 | 77.7 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | F318 | F318-T510 HydrophobicContact CE1-CG2 4.02Å; F318-T510 HydrophobicContact CZ-CG2 4.05Å | |||
| 511 | S | 22.9 | Very low | 25.4 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 57% | 0.566 | 65% | 0.652 | S | S | * | * | trans | 86.2 | 146.8 | 177.3 | 85.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 512 | F | 23.2 | Very low | 25.1 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 61% | 0.61 | 66% | 0.655 | S | S | * | * | cis | -146.2 | 136.3 | -28 | -136.2 | -79.4 | 0 | 0 | 0 | 113.3 | T313 T314 I315 | T313-F512 WeakPolarHBondContact CB-O 3.17Å; T313-F512 WeakPolarHBondContact CG2-O 3.3Å; T313-F512 PolarHBondContact OG1-O 3.26Å; T314-F512 VanDerWaalsContact OG1-CA 3.28Å; T314-F512 WeakPolarHBondContact OG1-CA 3.48Å; I315-F512 HydrophobicContact CD1-CD2 3.81Å; I315-F512 HydrophobicContact CD1-CE1 4.44Å; I315-F512 HydrophobicContact CD1-CE2 3.56Å; I315-F512 HydrophobicContact CD1-CG 4.35Å; I315-F512 HydrophobicContact CD1-CZ 3.9Å; I315-F512 HydrophobicContact CG2-CE1 4.47Å; I315-F512 HydrophobicContact CG2-CZ 4.36Å | ||
| 513 | V | 23.6 | Very low | 24.6 | Very low | 34 Ų | 34 | 131 Ų | 131 | 21% | 0.206 | 65% | 0.653 | C | S | . | * | trans | -16.3 | 142.5 | -172.3 | -172.5 | 0 | 0 | 0 | 0 | 120.4 | T313 T314 I315 N515 | T313-V513 VanDerWaalsContact OG1-C 3.31Å; T313-V513 PolarHBondContact OG1-O 3.04Å; T314-V513 WeakPolarHBondContact O-CA 3.41Å; T314-V513 WeakPolarHBondContact O-CG1 3.45Å; T314-V513 PolarHBondContact OG1-N 3.23Å; I315-V513 HydrophobicContact CB-CG2 3.68Å; I315-V513 HydrophobicContact CG2-CG2 3.64Å; V513-N515 VanDerWaalsContact CG1-ND2 3.31Å; V513-N515 WeakPolarHBondContact CG1-ND2 3.49Å | ||
| 514 | N | 24.3 | Very low | 24.6 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 55% | 0.551 | 66% | 0.655 | S | S | * | * | 163.3 | 117.9 | 124.8 | -84 | -63.2 | 0 | 0 | 0 | 108.7 | S312 T313 | S312-N514 CarbonylContact C-O 3.47Å; S312-N514 VanDerWaalsContact O-O 3.14Å; T313-N514 PolarHBondContact N-O 2.78Å; T313-N514 CarbonylContact O-C 3.48Å; T313-N514 PolarHBondContact O-N 3.42Å | |||
| 515 | N | 24.4 | Very low | 24.5 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 59% | 0.588 | 65% | 0.649 | S | S | * | * | 79.4 | 137 | 66.1 | -65.4 | -24.8 | 0 | 0 | 0 | 111.9 | V513 | V513-N515 VanDerWaalsContact CG1-ND2 3.31Å; V513-N515 WeakPolarHBondContact CG1-ND2 3.49Å | |||
| 516 | D | 28.2 | Very low | 24.3 | Very low | 136 Ų | 136 | 124.8 Ų | 124.8 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | cis | -131.9 | 143.2 | 33.9 | -78.9 | -51.5 | 0 | 0 | 0 | 117.8 | ||||
| 517 | E | 25.9 | Very low | 24.3 | Very low | 137 Ų | 137 | 122.9 Ų | 122.9 | 64% | 0.64 | 63% | 0.626 | S | S | * | * | trans | 37.7 | 131.3 | 134.6 | -48.1 | -172.2 | 134.2 | 0 | 0 | 121.8 | ||||
| 518 | K | 32.3 | Very low | 24.2 | Very low | 173 Ų | 173 | 123.4 Ų | 123.4 | 75% | 0.752 | 62% | 0.621 | S | S | * | * | -153.6 | 138.8 | 52.3 | -105.2 | 97.2 | -173 | 155.8 | 0 | 113 | |||||
| 519 | N | 23.1 | Very low | 24 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 73% | 0.727 | 63% | 0.632 | S | S | * | * | trans | -80.3 | 145.6 | 171.8 | -73.9 | -54.8 | 0 | 0 | 0 | 112.9 | ||||
| 520 | Y | 26.2 | Very low | 24 | Very low | 224 Ų | 224 | 120.8 Ų | 120.8 | 88% | 0.878 | 63% | 0.629 | S | S | * | * | trans | -138.5 | 85.6 | 142.2 | -95.3 | -72.5 | 0 | 0 | 0 | 110.2 | ||||
| 521 | T | 22.2 | Very low | 24.1 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 73% | 0.73 | 64% | 0.638 | S | S | * | * | trans | -77.1 | 129.2 | 166.4 | 37.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 522 | I | 24.6 | Very low | 24.2 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 73% | 0.728 | 64% | 0.639 | S | S | * | * | trans | -129.6 | 124 | 166.7 | -62.7 | -178.7 | 0 | 0 | 0 | 107.2 | ||||
| 523 | N | 20.7 | Very low | 24.7 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 68% | 0.684 | 63% | 0.626 | S | S | * | * | trans | -65.5 | 132.9 | 176.9 | -70.5 | -11.5 | 0 | 0 | 0 | 110.7 | ||||
| 524 | L | 25.9 | Very low | 25.5 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 69% | 0.691 | 64% | 0.636 | S | S | * | * | trans | -121.3 | 36.1 | 165 | -78.9 | 155.5 | 0 | 0 | 0 | 110.8 | S526 V527 | L524-S526 CarbonylContact C-O 3.56Å; L524-S526 CarbonylContact O-C 3.6Å; L524-S526 PolarHBondContact O-N 3.21Å; L524-V527 HydrophobicContact CD2-CB 3.91Å; L524-V527 HydrophobicContact CD2-CG2 3.92Å | ||
| 525 | D | 23.2 | Very low | 26.1 | Very low | 132 Ų | 132 | 117 Ų | 117 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -57.8 | 115.9 | 145 | -92.1 | -33.1 | 0 | 0 | 0 | 106.6 | P1072 | D525-P1072 WeakPolarHBondContact O-CD 3.25Š|
| 526 | S | 21.9 | Very low | 26.8 | Very low | 38 Ų | 38 | 113.5 Ų | 113.5 | 27% | 0.266 | 60% | 0.595 | S | S | . | * | trans | 66.7 | 121.9 | -153.7 | 81.6 | 0 | 0 | 0 | 0 | 114.8 | L524 T1070 L1071 P1072 | L524-S526 CarbonylContact C-O 3.56Å; L524-S526 CarbonylContact O-C 3.6Å; L524-S526 PolarHBondContact O-N 3.21Å; S526-T1070 WeakPolarHBondContact CB-O 3.42Å; S526-L1071 WeakPolarHBondContact OG-CA 3.46Å; S526-L1071 WeakPolarHBondContact OG-CD2 3.46Å; S526-L1071 WeakPolarHBondContact OG-CG 2.99Å; S526-P1072 WeakPolarHBondContact OG-CD 3.41Å | ||
| 527 | V | 23.8 | Very low | 27.4 | Very low | 96 Ų | 96 | 108.1 Ų | 108.1 | 58% | 0.582 | 57% | 0.567 | S | S | * | * | -170 | 143 | 120.4 | 146.8 | 0 | 0 | 0 | 0 | 107.8 | L524 L1071 | L524-V527 HydrophobicContact CD2-CB 3.91Å; L524-V527 HydrophobicContact CD2-CG2 3.92Å; V527-L1071 HydrophobicContact CG2-CD2 4.07Å; V527-L1071 HydrophobicContact CG2-CG 4.47Å | |||
| 528 | E | 21.4 | Very low | 28.1 | Very low | 115 Ų | 115 | 104.4 Ų | 104.4 | 54% | 0.537 | 55% | 0.547 | S | S | . | . | trans | -41 | 148.3 | -166.8 | -59.8 | 174.2 | 130.9 | 0 | 0 | 118.8 | S530 | E528-S530 PolarHBondContact O-N 3.15Š| ||
| 529 | M | 20.5 | Very low | 28.2 | Very low | 202 Ų | 202 | 96.4 Ų | 96.4 | 100% | 0.995 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 39.7 | -168.5 | -162 | -178.4 | -177.8 | 0 | 0 | 115.3 | ||
| 530 | S | 22.9 | Very low | 29 | Very low | 80 Ų | 80 | 91.7 Ų | 91.7 | 56% | 0.559 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | -8.9 | -155.6 | 61.4 | 0 | 0 | 0 | 0 | 118.7 | E528 | E528-S530 PolarHBondContact O-N 3.15Š|
| 531 | T | 24.9 | Very low | 29.5 | Very low | 111 Ų | 111 | 83.5 Ų | 83.5 | 68% | 0.681 | 46% | 0.459 | S | S | * | . | trans | -131.8 | 88 | -171.9 | 58.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 532 | C | 25 | Very low | 30 | Very low | 85 Ų | 85 | 78.5 Ų | 78.5 | 57% | 0.574 | 43% | 0.43 | S | S | * | . | trans | 179.4 | 81.8 | 139.1 | -108 | 0 | 0 | 0 | 0 | 114 | ||||
| 533 | K | 33.5 | Very low | 30.6 | Very low | 77 Ų | 77 | 72.8 Ų | 72.8 | 34% | 0.335 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -111.1 | 135.8 | 154.5 | -66.4 | 178.6 | -178 | -133.6 | 0 | 107.2 | L535 F568 | K533-L535 PolarHBondContact O-N 3.42Å; K533-L535 VanDerWaalsContact O-N 3.09Å; K533-F568 HydrophobicContact CD-CB 3.88Å; K533-F568 WeakPolarHBondContact CE-O 3.46Å; K533-F568 HydrophobicContact CG-CB 4.27Å; K533-F568 VanDerWaalsContact NZ-C 3.28Å; K533-F568 PolarHBondContact NZ-O 3.14Å |
| 534 | S | 39.7 | Very low | 31.4 | Very low | 59 Ų | 59 | 68.9 Ų | 68.9 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | trans | -48.9 | 115.7 | -164.6 | -179.5 | 0 | 0 | 0 | 0 | 113.2 | H536 L537 R538 | S534-H536 PolarHBondContact O-N 3.38Å; S534-L537 PolarHBondContact O-N 2.97Å; S534-R538 PolarHBondContact O-N 2.93Å | ||
| 535 | L | 38.2 | Very low | 31.7 | Very low | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.131 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.6 | -35.2 | 178.1 | -169.5 | 71.4 | 0 | 0 | 0 | 111.4 | K533 L537 R538 A539 L830 | K533-L535 PolarHBondContact O-N 3.42Å; K533-L535 VanDerWaalsContact O-N 3.09Å; L535-L537 VanDerWaalsContact C-N 3.29Å; L535-L537 PolarHBondContact O-N 3.27Å; L535-R538 PolarHBondContact O-N 2.94Å; L535-A539 WeakPolarHBondContact O-CB 3.31Å; L535-A539 PolarHBondContact O-N 2.63Å; L535-L830 HydrophobicContact CD1-CD1 3.74Å; L535-L830 HydrophobicContact CD1-CD2 4.44Å; L535-L830 HydrophobicContact CD2-CB 4.31Å; L535-L830 HydrophobicContact CD2-CD1 4.14Å; L535-L830 HydrophobicContact CD2-CD2 4.26Å; L535-L830 HydrophobicContact CD2-CG 4.5Å; L535-L830 HydrophobicContact CG-CD1 3.9Å |
| 536 | H | 38.8 | Very low | 32.1 | Very low | 36 Ų | 36 | 60.5 Ų | 60.5 | 17% | 0.167 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 173.9 | -155.6 | 67.4 | 0 | 0 | 0 | 111.5 | S534 N540 I765 Y831 | S534-H536 PolarHBondContact O-N 3.38Å; H536-N540 WeakPolarHBondContact O-CB 3.09Å; H536-N540 PolarHBondContact O-N 3.16Å; H536-N540 PolarHBondContact O-OD1 3.48Å; H536-I765 PolarHBondContact CE1-O 3.46Å; H536-I765 PolarHBondContact NE2-O 3.47Å; H536-Y831 AromaticContact CE1-CE2 3.48Å; H536-Y831 VanDerWaalsContact CE1-CE2 3.48Å; H536-Y831 WeakPolarHBondContact CE1-CE2 3.11Å; H536-Y831 AromaticContact CE1-CZ 3.58Å; H536-Y831 PolarHBondContact CE1-OH 3.34Å; H536-Y831 VanDerWaalsContact CE1-OH 3.28Å; H536-Y831 AromaticContact ND1-CD2 3.9Å; H536-Y831 AromaticContact ND1-CE2 3.11Å; H536-Y831 WeakPolarHBondContact ND1-CE2 3.19Å; H536-Y831 AromaticContact ND1-CZ 3.72Å |
| 537 | L | 41 | Very low | 32.8 | Very low | 24 Ų | 24 | 64.3 Ų | 64.3 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -75.5 | -31.4 | 178.5 | -170.8 | 132.3 | 0 | 0 | 0 | 112.6 | S534 L535 N540 L541 F568 L593 | S534-L537 PolarHBondContact O-N 2.97Å; L535-L537 VanDerWaalsContact C-N 3.29Å; L535-L537 PolarHBondContact O-N 3.27Å; L537-N540 PolarHBondContact O-N 3.19Å; L537-L541 HydrophobicContact CD2-CD1 3.68Å; L537-L541 HydrophobicContact CD2-CG 4.19Å; L537-L541 WeakPolarHBondContact O-CB 3.43Å; L537-L541 WeakPolarHBondContact O-CG 3.46Å; L537-L541 PolarHBondContact O-N 3.44Å; L537-F568 HydrophobicContact CD1-CE1 3.86Å; L537-F568 HydrophobicContact CD1-CE2 4.32Å; L537-F568 HydrophobicContact CD1-CZ 3.37Å; L537-F568 HydrophobicContact CD2-CD2 4.31Å; L537-F568 HydrophobicContact CD2-CE1 3.91Å; L537-F568 HydrophobicContact CD2-CE2 3.49Å; L537-F568 VanDerWaalsContact CD2-CE2 3.49Å; L537-F568 HydrophobicContact CD2-CZ 3.3Å; L537-F568 HydrophobicContact CG-CE1 4.42Å; L537-F568 HydrophobicContact CG-CZ 3.94Å; L537-L593 HydrophobicContact CD1-CD1 4.06Å; L537-L593 HydrophobicContact CD1-CD2 3.92Å |
| 538 | R | 39.6 | Very low | 33.2 | Very low | 58 Ų | 58 | 61 Ų | 61 | 22% | 0.219 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 171.1 | -66.4 | 177.1 | -178.9 | 166.6 | -15.5 | 112.1 | S534 L535 L541 A542 | S534-R538 PolarHBondContact O-N 2.93Å; L535-R538 PolarHBondContact O-N 2.94Å; R538-L541 PolarHBondContact O-N 2.61Å; R538-A542 WeakPolarHBondContact O-CB 3.41Å; R538-A542 PolarHBondContact O-N 3.16Å |
| 539 | A | 36.1 | Very low | 34 | Very low | 6 Ų | 6 | 59.9 Ų | 59.9 | 5% | 0.05 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -43.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | L535 L541 A542 L543 | L535-A539 WeakPolarHBondContact O-CB 3.31Å; L535-A539 PolarHBondContact O-N 2.63Å; A539-L541 PolarHBondContact O-N 3.3Å; A539-A542 PolarHBondContact O-N 3.28Å; A539-L543 WeakPolarHBondContact O-CG 3.31Å; A539-L543 PolarHBondContact O-N 2.94Å |
| 540 | N | 39.7 | Very low | 34.6 | Very low | 37 Ų | 37 | 52.4 Ų | 52.4 | 20% | 0.198 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 173.3 | -70 | -6.4 | 0 | 0 | 0 | 111.8 | H536 L537 A542 L543 I544 I765 | H536-N540 WeakPolarHBondContact O-CB 3.09Å; H536-N540 PolarHBondContact O-N 3.16Å; H536-N540 PolarHBondContact O-OD1 3.48Å; L537-N540 PolarHBondContact O-N 3.19Å; N540-A542 VanDerWaalsContact C-N 3.32Å; N540-A542 PolarHBondContact O-N 3.4Å; N540-L543 PolarHBondContact O-N 2.82Å; N540-L543 VanDerWaalsContact O-N 3.15Å; N540-I544 HydrophobicContact CB-CD1 4.26Å; N540-I544 VanDerWaalsContact O-CB 3.3Å; N540-I544 WeakPolarHBondContact O-CB 3.37Å; N540-I544 WeakPolarHBondContact O-CD1 3.37Å; N540-I544 WeakPolarHBondContact O-CG1 3.45Å; N540-I544 PolarHBondContact O-N 2.73Å; N540-I765 VanDerWaalsContact OD1-CG2 3.29Å; N540-I765 WeakPolarHBondContact OD1-CG2 3.21Å |
| 541 | L | 35.5 | Very low | 34.9 | Very low | 51 Ų | 51 | 49.9 Ų | 49.9 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 173.8 | -78.1 | 171.3 | 0 | 0 | 0 | 112.4 | L537 R538 A539 L543 I544 Y545 F597 | L537-L541 HydrophobicContact CD2-CD1 3.68Å; L537-L541 HydrophobicContact CD2-CG 4.19Å; L537-L541 WeakPolarHBondContact O-CB 3.43Å; L537-L541 WeakPolarHBondContact O-CG 3.46Å; L537-L541 PolarHBondContact O-N 3.44Å; R538-L541 PolarHBondContact O-N 2.61Å; A539-L541 PolarHBondContact O-N 3.3Å; L541-L543 VanDerWaalsContact C-N 3.32Å; L541-L543 PolarHBondContact O-N 3.13Å; L541-I544 PolarHBondContact O-N 3.08Å; L541-Y545 PolarHBondContact O-N 3.45Å; L541-F597 HydrophobicContact CD2-CE1 3.59Å; L541-F597 HydrophobicContact CD2-CZ 3.81Å |
| 542 | A | 33.6 | Very low | 35.1 | Very low | 15 Ų | 15 | 53.3 Ų | 53.3 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.7 | -25.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R538 A539 N540 | R538-A542 WeakPolarHBondContact O-CB 3.41Å; R538-A542 PolarHBondContact O-N 3.16Å; A539-A542 PolarHBondContact O-N 3.28Å; N540-A542 VanDerWaalsContact C-N 3.32Å; N540-A542 PolarHBondContact O-N 3.4Å |
| 543 | L | 36.2 | Very low | 35.2 | Very low | 22 Ų | 22 | 52.4 Ų | 52.4 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -88.3 | -26.5 | 174.3 | -70.1 | 168.3 | 0 | 0 | 0 | 113.3 | A539 N540 L541 I765 C827 | A539-L543 WeakPolarHBondContact O-CG 3.31Å; A539-L543 PolarHBondContact O-N 2.94Å; N540-L543 PolarHBondContact O-N 2.82Å; N540-L543 VanDerWaalsContact O-N 3.15Å; L541-L543 VanDerWaalsContact C-N 3.32Å; L541-L543 PolarHBondContact O-N 3.13Å; L543-I765 HydrophobicContact CD1-CD1 3.36Å; L543-C827 HydrophobicContact CD1-CB 4.14Å; L543-C827 HydrophobicContact CD2-CB 4.17Å; L543-C827 HydrophobicContact CG-CB 4.24Å |
| 544 | I | 37.2 | Very low | 34.8 | Very low | 45 Ų | 45 | 54.1 Ų | 54.1 | 23% | 0.231 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -87.2 | -34.7 | -179.5 | -67.1 | 163.5 | 0 | 0 | 0 | 111.4 | N540 L541 F597 | N540-I544 HydrophobicContact CB-CD1 4.26Å; N540-I544 VanDerWaalsContact O-CB 3.3Å; N540-I544 WeakPolarHBondContact O-CB 3.37Å; N540-I544 WeakPolarHBondContact O-CD1 3.37Å; N540-I544 WeakPolarHBondContact O-CG1 3.45Å; N540-I544 PolarHBondContact O-N 2.73Å; L541-I544 PolarHBondContact O-N 3.08Å; I544-F597 HydrophobicContact CD1-CB 4.33Å; I544-F597 HydrophobicContact CD1-CD1 4.07Å; I544-F597 HydrophobicContact CD1-CG 4.23Å; I544-F597 HydrophobicContact CG2-CD1 4.1Å |
| 545 | Y | 33.7 | Very low | 34.2 | Very low | 36 Ų | 36 | 52 Ų | 52 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | trans | -105.1 | 111.9 | 172.5 | -82.8 | -105.5 | 0 | 0 | 0 | 111.4 | L541 W547 W601 | L541-Y545 PolarHBondContact O-N 3.45Å; Y545-W547 PolarHBondContact O-N 3.26Å; Y545-W547 PolarHBondContact O-NE1 3.1Å; Y545-W547 VanDerWaalsContact O-NE1 3.15Å; Y545-W601 AromaticContact CD1-CD2 3.58Å; Y545-W601 HydrophobicContact CD1-CD2 3.58Å; Y545-W601 AromaticContact CD1-CE2 3.97Å; Y545-W601 AromaticContact CD1-CE3 3.27Å; Y545-W601 HydrophobicContact CD1-CE3 3.27Å; Y545-W601 HydrophobicContact CD1-CG 4.28Å; Y545-W601 AromaticContact CD1-CH2 3.82Å; Y545-W601 HydrophobicContact CD1-CH2 3.82Å; Y545-W601 HydrophobicContact CD1-CZ2 4.09Å; Y545-W601 AromaticContact CD1-CZ3 3.39Å; Y545-W601 HydrophobicContact CD1-CZ3 3.39Å; Y545-W601 HydrophobicContact CE1-CB 4.43Å; Y545-W601 AromaticContact CE1-CD2 3.55Å; Y545-W601 HydrophobicContact CE1-CD2 3.55Å; Y545-W601 AromaticContact CE1-CE2 3.77Å; Y545-W601 AromaticContact CE1-CE3 3.79Å; Y545-W601 HydrophobicContact CE1-CE3 3.79Å; Y545-W601 AromaticContact CE1-CG 3.87Å; Y545-W601 HydrophobicContact CE1-CG 3.87Å; Y545-W601 HydrophobicContact CE1-CH2 4.37Å; Y545-W601 HydrophobicContact CE1-CZ2 4.17Å; Y545-W601 HydrophobicContact CE1-CZ3 4.18Å; Y545-W601 HydrophobicContact CE2-CB 4.47Å; Y545-W601 HydrophobicContact CG-CD2 4.29Å; Y545-W601 AromaticContact CG-CE3 3.72Å; Y545-W601 HydrophobicContact CG-CE3 3.72Å; Y545-W601 AromaticContact CG-CZ3 3.97Å; Y545-W601 HydrophobicContact CG-CZ3 3.97Å | ||
| 546 | P | 31.7 | Very low | 33.8 | Very low | 52 Ų | 52 | 62 Ų | 62 | 34% | 0.338 | 31% | 0.309 | S | S | . | . | trans | -85 | 98.3 | 160.6 | 4.7 | 11.1 | 0 | 0 | 0 | 109.2 | W601 P603 | P546-W601 VanDerWaalsContact O-CZ3 3.28Å; P546-W601 WeakPolarHBondContact O-CZ3 3.26Å; P546-P603 HydrophobicContact CG-CB 3.41Å; P546-P603 VanDerWaalsContact CG-CB 3.41Å; P546-P603 HydrophobicContact CG-CG 3.63Å | ||
| 547 | W | 36.6 | Very low | 33.5 | Very low | 119 Ų | 119 | 64 Ų | 64 | 45% | 0.451 | 32% | 0.319 | S | S | . | . | trans | -67.6 | 147.1 | -167.6 | -58.5 | 68.6 | 0 | 0 | 0 | 113.2 | Y545 T938 | Y545-W547 PolarHBondContact O-N 3.26Å; Y545-W547 PolarHBondContact O-NE1 3.1Å; Y545-W547 VanDerWaalsContact O-NE1 3.15Å; W547-T938 HydrophobicContact CB-CG2 3.49Å; W547-T938 VanDerWaalsContact CB-CG2 3.49Å; W547-T938 HydrophobicContact CD2-CG2 3.63Å; W547-T938 HydrophobicContact CE3-CG2 4.13Å; W547-T938 HydrophobicContact CG-CG2 3.3Å | ||
| 548 | G | 31.8 | Very low | 33 | Very low | 27 Ų | 27 | 65.7 Ų | 65.7 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | trans | 164.6 | 121.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | D550 | G548-D550 PolarHBondContact O-N 3.49Š| ||
| 549 | D | 38.3 | Very low | 32.7 | Very low | 91 Ų | 91 | 67.1 Ų | 67.1 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -2.3 | -166.3 | -88.3 | 13.7 | 0 | 0 | 0 | 116.2 | K1128 | D549-K1128 IonicContact OD2-NZ 3.2Å; D549-K1128 PolarHBondContact OD2-NZ 3.23Å |
| 550 | D | 33.2 | Very low | 32.6 | Very low | 45 Ų | 45 | 67.8 Ų | 67.8 | 24% | 0.241 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -4.6 | -172.6 | -76.5 | -25.3 | 0 | 0 | 0 | 116.7 | G548 I552 L998 R1049 | G548-D550 PolarHBondContact O-N 3.49Å; D550-I552 PolarHBondContact O-N 3.13Å; D550-L998 VanDerWaalsContact OD2-CB 3.28Å; D550-L998 WeakPolarHBondContact OD2-CB 3.22Å; D550-R1049 VanDerWaalsContact CG-NH1 3.32Å; D550-R1049 IonicContact OD1-CZ 3.46Å; D550-R1049 IonicContact OD1-NH1 3.34Å; D550-R1049 PolarHBondContact OD1-NH1 3.01Å; D550-R1049 IonicContact OD1-NH2 3.56Å; D550-R1049 PolarHBondContact OD1-NH2 2.67Å; D550-R1049 IonicContact OD2-CZ 2.86Å; D550-R1049 IonicContact OD2-NH1 2.9Å; D550-R1049 PolarHBondContact OD2-NH1 2.71Å; D550-R1049 IonicContact OD2-NH2 3.03Å; D550-R1049 PolarHBondContact OD2-NH2 2.89Å |
| 551 | S | 29.6 | Very low | 32.3 | Very low | 27 Ų | 27 | 69.2 Ų | 69.2 | 19% | 0.189 | 35% | 0.349 | C | S | . | . | trans | -77.4 | 116.3 | -179.6 | 73.3 | 0 | 0 | 0 | 0 | 111.1 | S553 F554 W601 | S551-S553 WeakPolarHBondContact CB-OG 3.43Å; S551-S553 PolarHBondContact O-N 3.13Å; S551-F554 PolarHBondContact O-N 3.27Å; S551-W601 WeakPolarHBondContact OG-CZ2 3.49Å | ||
| 552 | I | 28.1 | Very low | 32.2 | Very low | 182 Ų | 182 | 68.9 Ų | 68.9 | 93% | 0.933 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 2.5 | 171 | -68.3 | 167.3 | 0 | 0 | 0 | 113 | D550 | D550-I552 PolarHBondContact O-N 3.13Š|
| 553 | S | 26.8 | Very low | 32.3 | Very low | 66 Ų | 66 | 72.1 Ų | 72.1 | 46% | 0.462 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 24.6 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 114.3 | S551 P555 W601 | S551-S553 WeakPolarHBondContact CB-OG 3.43Å; S551-S553 PolarHBondContact O-N 3.13Å; S553-P555 WeakPolarHBondContact O-CD 3.4Å; S553-P555 VanDerWaalsContact O-N 3.12Å; S553-W601 VanDerWaalsContact O-CD1 3.26Å; S553-W601 PolarHBondContact O-NE1 3.45Å |
| 554 | F | 25.9 | Very low | 32 | Very low | 113 Ų | 113 | 72.9 Ų | 72.9 | 50% | 0.496 | 37% | 0.37 | S | S | . | . | trans | -53.1 | 120.7 | 162.3 | -141.4 | -70.5 | 0 | 0 | 0 | 107.2 | S551 I561 P1196 | S551-F554 PolarHBondContact O-N 3.27Å; F554-I561 HydrophobicContact CE1-CD1 4.24Å; F554-P1196 HydrophobicContact CB-CB 4.31Å; F554-P1196 HydrophobicContact CB-CG 3.7Å; F554-P1196 HydrophobicContact CD1-CB 3.9Å; F554-P1196 HydrophobicContact CD1-CG 4.02Å; F554-P1196 HydrophobicContact CE1-CB 4.38Å; F554-P1196 HydrophobicContact CG-CB 4.03Å; F554-P1196 HydrophobicContact CG-CG 3.96Å | ||
| 555 | P | 27.4 | Very low | 31.8 | Very low | 16 Ų | 16 | 78.9 Ų | 78.9 | 10% | 0.104 | 39% | 0.39 | C | S | . | . | trans | -66.7 | 149.3 | -162.8 | 22.9 | -32.3 | 0 | 0 | 0 | 112 | S553 E557 I600 | S553-P555 WeakPolarHBondContact O-CD 3.4Å; S553-P555 VanDerWaalsContact O-N 3.12Å; P555-E557 PolarHBondContact O-N 2.96Å; P555-I600 HydrophobicContact CB-CG2 3.55Å; P555-I600 HydrophobicContact CG-CG2 3.58Å | ||
| 556 | R | 29.5 | Very low | 31.9 | Very low | 234 Ų | 234 | 79.3 Ų | 79.3 | 88% | 0.883 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -71.9 | 24.6 | -177.4 | -68.8 | 179.7 | 168.4 | 179.7 | -4.9 | 113.7 | ||
| 557 | E | 32.1 | Very low | 31.8 | Very low | 79 Ų | 79 | 80.9 Ų | 80.9 | 37% | 0.369 | 40% | 0.404 | S | S | . | . | trans | -134.4 | 67.4 | -164.7 | -68.2 | 179.2 | -137.2 | 0 | 0 | 111.2 | P555 K559 S560 I600 | P555-E557 PolarHBondContact O-N 2.96Å; E557-K559 PolarHBondContact O-N 3.47Å; E557-S560 PolarHBondContact O-N 2.92Å; E557-S560 PolarHBondContact OE2-OG 2.85Å; E557-I600 WeakPolarHBondContact OE2-CD1 3.37Å | ||
| 558 | T | 30.1 | Very low | 31.6 | Very low | 58 Ų | 58 | 77.5 Ų | 77.5 | 36% | 0.356 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.6 | -19.4 | 172.1 | 42.8 | 0 | 0 | 0 | 0 | 113 | A562 V1199 | T558-A562 PolarHBondContact O-N 3.5Å; T558-V1199 HydrophobicContact CG2-CB 4.48Å; T558-V1199 HydrophobicContact CG2-CG1 4.49Å; T558-V1199 HydrophobicContact CG2-CG2 4.17Å |
| 559 | K | 33.4 | Very low | 31.6 | Very low | 89 Ų | 89 | 79.4 Ų | 79.4 | 39% | 0.387 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -55.3 | -56.3 | 166.9 | -104.2 | 178.6 | 138.1 | -81.7 | 0 | 111.9 | E557 I561 A562 E563 S1186 | E557-K559 PolarHBondContact O-N 3.47Å; K559-I561 PolarHBondContact O-N 3.31Å; K559-I561 VanDerWaalsContact O-N 3.16Å; K559-A562 PolarHBondContact O-N 3.18Å; K559-E563 IonicContact NZ-OE1 3.85Å; K559-E563 PolarHBondContact NZ-OE1 3.3Å; K559-E563 WeakPolarHBondContact O-CB 3.47Å; K559-E563 WeakPolarHBondContact O-CG 3.28Å; K559-E563 PolarHBondContact O-N 2.86Å; K559-S1186 PolarHBondContact NZ-OG 3.25Å; K559-S1186 VanDerWaalsContact NZ-OG 3.11Å |
| 560 | S | 34.5 | Very low | 31.3 | Very low | 20 Ų | 20 | 78.9 Ų | 78.9 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.1 | -31.1 | -172.3 | -46.3 | 0 | 0 | 0 | 0 | 112.3 | E557 L564 | E557-S560 PolarHBondContact O-N 2.92Å; E557-S560 PolarHBondContact OE2-OG 2.85Å; S560-L564 WeakPolarHBondContact O-CB 3.39Å; S560-L564 WeakPolarHBondContact O-CD1 3.26Å; S560-L564 VanDerWaalsContact O-CG 3.24Å; S560-L564 WeakPolarHBondContact O-CG 3.47Å; S560-L564 PolarHBondContact O-N 3.26Å; S560-L564 VanDerWaalsContact O-N 3.14Å |
| 561 | I | 32.3 | Very low | 31.1 | Very low | 67 Ų | 67 | 83.7 Ų | 83.7 | 34% | 0.344 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -76.8 | -38.5 | 174.5 | -63.2 | 174.6 | 0 | 0 | 0 | 111.9 | F554 K559 W565 | F554-I561 HydrophobicContact CE1-CD1 4.24Å; K559-I561 PolarHBondContact O-N 3.31Å; K559-I561 VanDerWaalsContact O-N 3.16Å; I561-W565 WeakPolarHBondContact O-CB 3.29Å; I561-W565 PolarHBondContact O-N 3.09Å |
| 562 | A | 34.4 | Very low | 30.9 | Very low | 44 Ų | 44 | 87.9 Ų | 87.9 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T558 K559 W565 S566 | T558-A562 PolarHBondContact O-N 3.5Å; K559-A562 PolarHBondContact O-N 3.18Å; A562-W565 PolarHBondContact O-N 2.68Å; A562-W565 VanDerWaalsContact O-N 3.15Å; A562-S566 PolarHBondContact O-N 3.21Å; A562-S566 PolarHBondContact O-OG 2.83Å |
| 563 | E | 34.6 | Very low | 30.9 | Very low | 82 Ų | 82 | 86.5 Ų | 86.5 | 38% | 0.383 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.6 | -35 | 176.5 | -71.2 | 161.7 | -165.7 | 0 | 0 | 111.9 | K559 S566 L567 | K559-E563 IonicContact NZ-OE1 3.85Å; K559-E563 PolarHBondContact NZ-OE1 3.3Å; K559-E563 WeakPolarHBondContact O-CB 3.47Å; K559-E563 WeakPolarHBondContact O-CG 3.28Å; K559-E563 PolarHBondContact O-N 2.86Å; E563-S566 PolarHBondContact O-OG 3.27Å; E563-L567 WeakPolarHBondContact O-CB 3.4Å; E563-L567 WeakPolarHBondContact O-CG 3.24Å; E563-L567 PolarHBondContact O-N 3.01Å |
| 564 | L | 30.1 | Very low | 31 | Very low | 38 Ų | 38 | 90.1 Ų | 90.1 | 20% | 0.199 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67 | -43.7 | 166.9 | -78.3 | 166 | 0 | 0 | 0 | 112 | S560 S566 L567 F568 L593 F597 | S560-L564 WeakPolarHBondContact O-CB 3.39Å; S560-L564 WeakPolarHBondContact O-CD1 3.26Å; S560-L564 VanDerWaalsContact O-CG 3.24Å; S560-L564 WeakPolarHBondContact O-CG 3.47Å; S560-L564 PolarHBondContact O-N 3.26Å; S560-L564 VanDerWaalsContact O-N 3.14Å; L564-S566 PolarHBondContact O-N 3.48Å; L564-L567 PolarHBondContact O-N 3.37Å; L564-F568 HydrophobicContact CB-CE2 4.13Å; L564-F568 HydrophobicContact CD2-CE2 3.9Å; L564-F568 HydrophobicContact CD2-CZ 4.16Å; L564-F568 WeakPolarHBondContact O-CD2 3.24Å; L564-F568 VanDerWaalsContact O-CE2 3.26Å; L564-F568 WeakPolarHBondContact O-CE2 3.48Å; L564-F568 PolarHBondContact O-N 3.47Å; L564-L593 HydrophobicContact CD2-CD2 3.84Å; L564-F597 HydrophobicContact CD1-CE1 4.06Å; L564-F597 HydrophobicContact CD1-CE2 4.09Å; L564-F597 HydrophobicContact CD1-CZ 3.45Å; L564-F597 VanDerWaalsContact CD1-CZ 3.45Å; L564-F597 HydrophobicContact CD2-CE2 3.84Å; L564-F597 HydrophobicContact CD2-CZ 3.87Å; L564-F597 HydrophobicContact CG-CZ 4.35Å |
| 565 | W | 33.8 | Very low | 31.1 | Very low | 171 Ų | 171 | 92.5 Ų | 92.5 | 65% | 0.648 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | -176.8 | -160.4 | -69.6 | 0 | 0 | 0 | 112 | I561 A562 F568 T569 | I561-W565 WeakPolarHBondContact O-CB 3.29Å; I561-W565 PolarHBondContact O-N 3.09Å; A562-W565 PolarHBondContact O-N 2.68Å; A562-W565 VanDerWaalsContact O-N 3.15Å; W565-F568 PolarHBondContact O-N 3.14Å; W565-F568 VanDerWaalsContact O-N 3.15Å; W565-T569 PolarHBondContact O-N 3.16Å; W565-T569 VanDerWaalsContact O-N 3.13Å; W565-T569 PolarHBondContact O-OG1 3.03Å |
| 566 | S | 34.7 | Very low | 31.1 | Very low | 45 Ų | 45 | 97.2 Ų | 97.2 | 32% | 0.315 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 176.8 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | A562 E563 L564 F568 T569 N570 | A562-S566 PolarHBondContact O-N 3.21Å; A562-S566 PolarHBondContact O-OG 2.83Å; E563-S566 PolarHBondContact O-OG 3.27Å; L564-S566 PolarHBondContact O-N 3.48Å; S566-F568 PolarHBondContact O-N 3.47Å; S566-F568 VanDerWaalsContact O-N 3.12Å; S566-T569 WeakPolarHBondContact CA-OG1 3.25Å; S566-T569 PolarHBondContact O-N 3.27Å; S566-T569 VanDerWaalsContact O-N 3.1Å; S566-T569 PolarHBondContact O-OG1 2.96Å; S566-T569 VanDerWaalsContact O-OG1 3.05Å; S566-N570 PolarHBondContact O-N 3.49Å; S566-N570 PolarHBondContact O-OD1 2.96Å |
| 567 | L | 31.6 | Very low | 31 | Very low | 86 Ų | 86 | 91.5 Ų | 91.5 | 45% | 0.45 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.4 | -28.9 | 171 | -82.7 | 169.8 | 0 | 0 | 0 | 113.1 | E563 L564 I592 | E563-L567 WeakPolarHBondContact O-CB 3.4Å; E563-L567 WeakPolarHBondContact O-CG 3.24Å; E563-L567 PolarHBondContact O-N 3.01Å; L564-L567 PolarHBondContact O-N 3.37Å; L567-I592 HydrophobicContact CD1-CG2 4.38Å |
| 568 | F | 30.6 | Very low | 30.6 | Very low | 48 Ų | 48 | 95.4 Ų | 95.4 | 21% | 0.211 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -6.8 | 177.6 | -57.6 | -52 | 0 | 0 | 0 | 115.4 | K533 L537 L564 W565 S566 L593 | K533-F568 HydrophobicContact CD-CB 3.88Å; K533-F568 WeakPolarHBondContact CE-O 3.46Å; K533-F568 HydrophobicContact CG-CB 4.27Å; K533-F568 VanDerWaalsContact NZ-C 3.28Å; K533-F568 PolarHBondContact NZ-O 3.14Å; L537-F568 HydrophobicContact CD1-CE1 3.86Å; L537-F568 HydrophobicContact CD1-CE2 4.32Å; L537-F568 HydrophobicContact CD1-CZ 3.37Å; L537-F568 HydrophobicContact CD2-CD2 4.31Å; L537-F568 HydrophobicContact CD2-CE1 3.91Å; L537-F568 HydrophobicContact CD2-CE2 3.49Å; L537-F568 VanDerWaalsContact CD2-CE2 3.49Å; L537-F568 HydrophobicContact CD2-CZ 3.3Å; L537-F568 HydrophobicContact CG-CE1 4.42Å; L537-F568 HydrophobicContact CG-CZ 3.94Å; L564-F568 HydrophobicContact CB-CE2 4.13Å; L564-F568 HydrophobicContact CD2-CE2 3.9Å; L564-F568 HydrophobicContact CD2-CZ 4.16Å; L564-F568 WeakPolarHBondContact O-CD2 3.24Å; L564-F568 VanDerWaalsContact O-CE2 3.26Å; L564-F568 WeakPolarHBondContact O-CE2 3.48Å; L564-F568 PolarHBondContact O-N 3.47Å; W565-F568 PolarHBondContact O-N 3.14Å; W565-F568 VanDerWaalsContact O-N 3.15Å; S566-F568 PolarHBondContact O-N 3.47Å; S566-F568 VanDerWaalsContact O-N 3.12Å; F568-L593 HydrophobicContact CZ-CD2 4.17Å |
| 569 | T | 31.7 | Very low | 30.5 | Very low | 66 Ų | 66 | 99.4 Ų | 99.4 | 41% | 0.405 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -27.6 | 172.9 | 43.2 | 0 | 0 | 0 | 0 | 112.7 | W565 S566 N571 | W565-T569 PolarHBondContact O-N 3.16Å; W565-T569 VanDerWaalsContact O-N 3.13Å; W565-T569 PolarHBondContact O-OG1 3.03Å; S566-T569 WeakPolarHBondContact CA-OG1 3.25Å; S566-T569 PolarHBondContact O-N 3.27Å; S566-T569 VanDerWaalsContact O-N 3.1Å; S566-T569 PolarHBondContact O-OG1 2.96Å; S566-T569 VanDerWaalsContact O-OG1 3.05Å; T569-N571 VanDerWaalsContact C-N 3.33Å; T569-N571 PolarHBondContact O-N 3.44Å |
| 570 | N | 32.1 | Very low | 30.1 | Very low | 80 Ų | 80 | 102.5 Ų | 102.5 | 43% | 0.428 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.8 | 4.5 | -162.3 | -61.9 | 7.5 | 0 | 0 | 0 | 115.4 | S566 S1178 | S566-N570 PolarHBondContact O-N 3.49Å; S566-N570 PolarHBondContact O-OD1 2.96Å; N570-S1178 WeakPolarHBondContact OD1-CB 3.17Å |
| 571 | N | 28.9 | Very low | 29.8 | Very low | 146 Ų | 146 | 108.5 Ų | 108.5 | 78% | 0.781 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | 4.6 | -171.2 | -101.7 | 32.1 | 0 | 0 | 0 | 116 | T569 | T569-N571 VanDerWaalsContact C-N 3.33Å; T569-N571 PolarHBondContact O-N 3.44Å |
| 572 | N | 26.2 | Very low | 29.4 | Very low | 116 Ų | 116 | 110 Ų | 110 | 62% | 0.62 | 60% | 0.6 | S | S | * | * | trans | -112.6 | 79.3 | 177.3 | -79.9 | 10.7 | 0 | 0 | 0 | 111.5 | ||||
| 573 | N | 28.8 | Very low | 29 | Very low | 152 Ų | 152 | 115.3 Ų | 115.3 | 81% | 0.813 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -178.4 | 144.5 | 137.9 | -90.6 | -21.3 | 0 | 0 | 0 | 111.8 | ||
| 574 | N | 29.2 | Very low | 28.8 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | trans | 75.9 | 67.3 | 162.9 | -56.8 | -5.3 | 0 | 0 | 0 | 119.6 | ||||
| 575 | N | 26.8 | Very low | 28.5 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 88% | 0.877 | 67% | 0.671 | S | S | * | * | 42.4 | 98 | 127.2 | -58.4 | -6.7 | 0 | 0 | 0 | 120.6 | |||||
| 576 | S | 27.5 | Very low | 28.3 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | trans | -146.9 | 144.5 | 133.2 | 55.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 577 | P | 28.4 | Very low | 27.9 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 69% | 0.694 | S | S | * | * | trans | -86 | 148.1 | -171.4 | 33.5 | -35 | 0 | 0 | 0 | 113 | I579 | P577-I579 PolarHBondContact O-N 3.08Š| ||
| 578 | I | 23.7 | Very low | 27.8 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 82% | 0.821 | 70% | 0.702 | S | S | * | * | trans | -74.2 | 106.7 | 168.1 | -59.9 | 171.8 | 0 | 0 | 0 | 108.2 | I580 | I578-I580 HydrophobicContact CG2-CG1 4.26Š| ||
| 579 | I | 26.9 | Very low | 27.5 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -85.2 | 123.5 | 159.2 | -65.6 | 177.3 | 0 | 0 | 0 | 107 | P577 D581 | P577-I579 PolarHBondContact O-N 3.08Å; I579-D581 PolarHBondContact O-N 3.23Å | ||
| 580 | I | 24.7 | Very low | 27.5 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -83.8 | 95.2 | 170.6 | -58.1 | 172.1 | 0 | 0 | 0 | 106.2 | I578 | I578-I580 HydrophobicContact CG2-CG1 4.26Š| ||
| 581 | D | 28.2 | Very low | 27.3 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -85.7 | 139.5 | 165.2 | -151.7 | -16.4 | 0 | 0 | 0 | 109.4 | I579 | I579-D581 PolarHBondContact O-N 3.23Š| ||
| 582 | S | 24.3 | Very low | 27.4 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | trans | -111.4 | 57.7 | -154.5 | 66.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 583 | D | 26.6 | Very low | 27.5 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -157.4 | 160.8 | 152.9 | -109.9 | -38.1 | 0 | 0 | 0 | 113.8 | ||
| 584 | Q | 29.4 | Very low | 27.5 | Very low | 189 Ų | 189 | 132 Ų | 132 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | trans | 59.7 | 64.6 | -179.7 | -55.6 | -156.6 | 21.8 | 0 | 0 | 117.8 | K586 | Q584-K586 PolarHBondContact O-N 3.04Š| ||
| 585 | K | 24.5 | Very low | 27.6 | Very low | 163 Ų | 163 | 128.8 Ų | 128.8 | 71% | 0.709 | 70% | 0.7 | S | S | * | * | trans | -66.7 | 107.8 | 170.7 | -68.1 | 177.8 | 178.4 | 172.3 | 0 | 113.7 | E771 | K585-E771 PolarHBondContact NZ-O 3.21Š| ||
| 586 | K | 30.2 | Very low | 27.8 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 68% | 0.683 | 68% | 0.683 | S | S | * | * | trans | -156.2 | 97.2 | 151.5 | -119.3 | 159.1 | -171.2 | 157.4 | 0 | 113.7 | Q584 | Q584-K586 PolarHBondContact O-N 3.04Š| ||
| 587 | I | 26.2 | Very low | 27.8 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 76% | 0.764 | 65% | 0.652 | S | S | * | * | trans | -84.9 | 125 | -171.9 | -59.9 | 161 | 0 | 0 | 0 | 110.7 | ||||
| 588 | V | 27.9 | Very low | 27.9 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 62% | 0.624 | 64% | 0.643 | S | S | * | * | trans | -125.3 | 55.5 | -176.9 | -166.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 589 | N | 25.6 | Very low | 28.2 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 87% | 0.866 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -131.5 | 8.8 | 169.5 | -97.4 | -28.1 | 0 | 0 | 0 | 113.9 | ||
| 590 | G | 30.8 | Very low | 28.5 | Very low | 52 Ų | 52 | 116.2 Ų | 116.2 | 54% | 0.536 | 61% | 0.611 | S | S | . | * | trans | -90.7 | 2.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.9 | I592 | G590-I592 PolarHBondContact O-N 3.32Š| ||
| 591 | H | 29.3 | Very low | 28.6 | Very low | 108 Ų | 108 | 110.5 Ų | 110.5 | 50% | 0.5 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.1 | -21 | -160.2 | -81.3 | -66.6 | 0 | 0 | 0 | 116.7 | L593 | H591-L593 VanDerWaalsContact C-N 3.33Å; H591-L593 PolarHBondContact O-N 3.2Å |
| 592 | I | 30.4 | Very low | 28.6 | Very low | 128 Ų | 128 | 108.9 Ų | 108.9 | 66% | 0.656 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.7 | -21.6 | -174.9 | -63.9 | 173.6 | 0 | 0 | 0 | 112.3 | L567 G590 | L567-I592 HydrophobicContact CD1-CG2 4.38Å; G590-I592 PolarHBondContact O-N 3.32Å |
| 593 | L | 27.5 | Very low | 28.7 | Very low | 62 Ų | 62 | 105 Ų | 105 | 33% | 0.325 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -92.4 | -5.4 | -169.8 | -75.9 | 172.3 | 0 | 0 | 0 | 116.2 | L537 L564 F568 H591 F597 | L537-L593 HydrophobicContact CD1-CD1 4.06Å; L537-L593 HydrophobicContact CD1-CD2 3.92Å; L564-L593 HydrophobicContact CD2-CD2 3.84Å; F568-L593 HydrophobicContact CZ-CD2 4.17Å; H591-L593 VanDerWaalsContact C-N 3.33Å; H591-L593 PolarHBondContact O-N 3.2Å; L593-F597 WeakPolarHBondContact O-CD2 3.06Å |
| 594 | N | 29.1 | Very low | 28.9 | Very low | 108 Ų | 108 | 104.1 Ų | 104.1 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -111.9 | -19.7 | -176.2 | -83.1 | -12.1 | 0 | 0 | 0 | 115.2 | ||
| 595 | S | 31.6 | Very low | 29.2 | Very low | 75 Ų | 75 | 97.3 Ų | 97.3 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -80.3 | -48.6 | -176.3 | 50 | 0 | 0 | 0 | 0 | 113.5 | F597 | S595-F597 PolarHBondContact O-N 3.49Å |
| 596 | H | 30.8 | Very low | 29.6 | Very low | 110 Ų | 110 | 91.5 Ų | 91.5 | 51% | 0.509 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -30 | -174.6 | -83.3 | -81.8 | 0 | 0 | 0 | 114.1 | Q598 I600 | H596-Q598 VanDerWaalsContact C-N 3.31Å; H596-Q598 PolarHBondContact O-N 3.14Å; H596-I600 HydrophobicContact CB-CD1 4.43Å; H596-I600 WeakPolarHBondContact O-CD1 3.46Å; H596-I600 WeakPolarHBondContact O-CG1 3.45Å |
| 597 | F | 27.9 | Very low | 29.8 | Very low | 35 Ų | 35 | 86.4 Ų | 86.4 | 15% | 0.154 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -68.7 | -21.5 | -173.5 | -85.3 | -74.4 | 0 | 0 | 0 | 115.1 | L541 I544 L564 L593 S595 N599 | L541-F597 HydrophobicContact CD2-CE1 3.59Å; L541-F597 HydrophobicContact CD2-CZ 3.81Å; I544-F597 HydrophobicContact CD1-CB 4.33Å; I544-F597 HydrophobicContact CD1-CD1 4.07Å; I544-F597 HydrophobicContact CD1-CG 4.23Å; I544-F597 HydrophobicContact CG2-CD1 4.1Å; L564-F597 HydrophobicContact CD1-CE1 4.06Å; L564-F597 HydrophobicContact CD1-CE2 4.09Å; L564-F597 HydrophobicContact CD1-CZ 3.45Å; L564-F597 VanDerWaalsContact CD1-CZ 3.45Å; L564-F597 HydrophobicContact CD2-CE2 3.84Å; L564-F597 HydrophobicContact CD2-CZ 3.87Å; L564-F597 HydrophobicContact CG-CZ 4.35Å; L593-F597 WeakPolarHBondContact O-CD2 3.06Å; S595-F597 PolarHBondContact O-N 3.49Å; F597-N599 PolarHBondContact O-N 3.03Å |
| 598 | Q | 30.5 | Very low | 30.5 | Very low | 118 Ų | 118 | 82.4 Ų | 82.4 | 55% | 0.551 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -77.9 | -20.5 | -169.8 | -68.2 | -167.7 | -43.1 | 0 | 0 | 115.4 | H596 N702 | H596-Q598 VanDerWaalsContact C-N 3.31Å; H596-Q598 PolarHBondContact O-N 3.14Å; Q598-N702 PolarHBondContact NE2-OD1 3.28Å |
| 599 | N | 30.8 | Very low | 31.4 | Very low | 137 Ų | 137 | 78.5 Ų | 78.5 | 73% | 0.733 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -102.4 | -16.1 | -176 | -83.5 | -36.4 | 0 | 0 | 0 | 114.9 | F597 | F597-N599 PolarHBondContact O-N 3.03Å |
| 600 | I | 31.3 | Very low | 32 | Very low | 31 Ų | 31 | 74.2 Ų | 74.2 | 16% | 0.159 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -94.1 | -29.7 | -155.1 | -70.6 | 178.8 | 0 | 0 | 0 | 114.1 | P555 E557 H596 | P555-I600 HydrophobicContact CB-CG2 3.55Å; P555-I600 HydrophobicContact CG-CG2 3.58Å; E557-I600 WeakPolarHBondContact OE2-CD1 3.37Å; H596-I600 HydrophobicContact CB-CD1 4.43Å; H596-I600 WeakPolarHBondContact O-CD1 3.46Å; H596-I600 WeakPolarHBondContact O-CG1 3.45Å |
| 601 | W | 28.1 | Very low | 32.6 | Very low | 33 Ų | 33 | 80 Ų | 80 | 13% | 0.125 | 40% | 0.397 | C | S | . | . | trans | -138.8 | 138.1 | 170.8 | -125.2 | 48.4 | 0 | 0 | 0 | 111.8 | Y545 P546 S551 S553 | Y545-W601 AromaticContact CD1-CD2 3.58Å; Y545-W601 HydrophobicContact CD1-CD2 3.58Å; Y545-W601 AromaticContact CD1-CE2 3.97Å; Y545-W601 AromaticContact CD1-CE3 3.27Å; Y545-W601 HydrophobicContact CD1-CE3 3.27Å; Y545-W601 HydrophobicContact CD1-CG 4.28Å; Y545-W601 AromaticContact CD1-CH2 3.82Å; Y545-W601 HydrophobicContact CD1-CH2 3.82Å; Y545-W601 HydrophobicContact CD1-CZ2 4.09Å; Y545-W601 AromaticContact CD1-CZ3 3.39Å; Y545-W601 HydrophobicContact CD1-CZ3 3.39Å; Y545-W601 HydrophobicContact CE1-CB 4.43Å; Y545-W601 AromaticContact CE1-CD2 3.55Å; Y545-W601 HydrophobicContact CE1-CD2 3.55Å; Y545-W601 AromaticContact CE1-CE2 3.77Å; Y545-W601 AromaticContact CE1-CE3 3.79Å; Y545-W601 HydrophobicContact CE1-CE3 3.79Å; Y545-W601 AromaticContact CE1-CG 3.87Å; Y545-W601 HydrophobicContact CE1-CG 3.87Å; Y545-W601 HydrophobicContact CE1-CH2 4.37Å; Y545-W601 HydrophobicContact CE1-CZ2 4.17Å; Y545-W601 HydrophobicContact CE1-CZ3 4.18Å; Y545-W601 HydrophobicContact CE2-CB 4.47Å; Y545-W601 HydrophobicContact CG-CD2 4.29Å; Y545-W601 AromaticContact CG-CE3 3.72Å; Y545-W601 HydrophobicContact CG-CE3 3.72Å; Y545-W601 AromaticContact CG-CZ3 3.97Å; Y545-W601 HydrophobicContact CG-CZ3 3.97Å; P546-W601 VanDerWaalsContact O-CZ3 3.28Å; P546-W601 WeakPolarHBondContact O-CZ3 3.26Å; S551-W601 WeakPolarHBondContact OG-CZ2 3.49Å; S553-W601 VanDerWaalsContact O-CD1 3.26Å; S553-W601 PolarHBondContact O-NE1 3.45Å | ||
| 602 | K | 27.1 | Very low | 33.4 | Very low | 114 Ų | 114 | 78.9 Ų | 78.9 | 50% | 0.496 | 39% | 0.388 | S | S | . | . | trans | -119.2 | 112.5 | 176.7 | -76.8 | 168.7 | -179.2 | 153.4 | 0 | 108.3 | K604 L610 | K602-K604 PolarHBondContact O-N 3.34Å; K602-L610 HydrophobicContact CD-CD1 4.4Å | ||
| 603 | P | 26.8 | Very low | 34.3 | Very low | 17 Ų | 17 | 73.3 Ų | 73.3 | 11% | 0.11 | 36% | 0.362 | C | S | . | . | trans | -50.5 | 133.6 | 173 | -29.8 | 36.7 | 0 | 0 | 0 | 110.9 | P546 P605 L606 S607 | P546-P603 HydrophobicContact CG-CB 3.41Å; P546-P603 VanDerWaalsContact CG-CB 3.41Å; P546-P603 HydrophobicContact CG-CG 3.63Å; P603-P605 VanDerWaalsContact C-CD 3.45Å; P603-P605 VanDerWaalsContact C-N 3.28Å; P603-P605 HydrophobicContact CB-CG 4.1Å; P603-L606 HydrophobicContact CB-CB 4.02Å; P603-L606 HydrophobicContact CB-CD1 3.98Å; P603-L606 HydrophobicContact CG-CB 4.29Å; P603-L606 HydrophobicContact CG-CD1 3.72Å; P603-L606 CarbonylContact O-C 3.29Å; P603-L606 WeakPolarHBondContact O-CA 3.37Å; P603-L606 PolarHBondContact O-N 3.4Å; P603-S607 PolarHBondContact O-N 3.23Å | ||
| 604 | K | 30.2 | Very low | 35.2 | Very low | 135 Ų | 135 | 80.3 Ų | 80.3 | 59% | 0.587 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -48.3 | -41.9 | 174.4 | -86.1 | -179.5 | 174.5 | 174.7 | 0 | 113 | K602 S607 | K602-K604 PolarHBondContact O-N 3.34Å; K604-S607 PolarHBondContact O-N 3.31Å; K604-S607 PolarHBondContact O-OG 3.42Å |
| 605 | P | 35.7 | Very low | 36.1 | Very low | 46 Ų | 46 | 80.2 Ų | 80.2 | 30% | 0.299 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 172 | 23.2 | -33.2 | 0 | 0 | 0 | 113.9 | P603 S607 D608 Y609 E820 | P603-P605 VanDerWaalsContact C-CD 3.45Å; P603-P605 VanDerWaalsContact C-N 3.28Å; P603-P605 HydrophobicContact CB-CG 4.1Å; P605-S607 PolarHBondContact O-N 2.91Å; P605-D608 PolarHBondContact O-N 2.96Å; P605-D608 VanDerWaalsContact O-N 3.13Å; P605-Y609 HydrophobicContact CB-CE2 4.27Å; P605-Y609 WeakPolarHBondContact O-CD2 3.39Å; P605-Y609 PolarHBondContact O-N 3.43Å; P605-Y609 VanDerWaalsContact O-N 3.16Å; P605-E820 VanDerWaalsContact CB-OE1 3.25Å; P605-E820 WeakPolarHBondContact CB-OE1 3.28Å; P605-E820 WeakPolarHBondContact CG-OE1 3.21Å |
| 606 | L | 33.8 | Very low | 36.9 | Very low | 42 Ų | 42 | 79.2 Ų | 79.2 | 22% | 0.22 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.7 | -18.6 | 175.3 | -88 | 138.1 | 0 | 0 | 0 | 113.9 | P603 D608 Y609 L610 Y758 | P603-L606 HydrophobicContact CB-CB 4.02Å; P603-L606 HydrophobicContact CB-CD1 3.98Å; P603-L606 HydrophobicContact CG-CB 4.29Å; P603-L606 HydrophobicContact CG-CD1 3.72Å; P603-L606 CarbonylContact O-C 3.29Å; P603-L606 WeakPolarHBondContact O-CA 3.37Å; P603-L606 PolarHBondContact O-N 3.4Å; L606-D608 VanDerWaalsContact C-N 3.33Å; L606-Y609 PolarHBondContact O-N 3.06Å; L606-L610 VanDerWaalsContact O-CB 3.29Å; L606-L610 WeakPolarHBondContact O-CB 3.05Å; L606-L610 WeakPolarHBondContact O-CG 3.26Å; L606-L610 PolarHBondContact O-N 2.99Å; L606-Y758 HydrophobicContact CD1-CE1 4.05Å |
| 607 | S | 34.5 | Very low | 38 | Very low | 50 Ų | 50 | 75 Ų | 75 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -67.6 | -34 | 171.2 | 78.9 | 0 | 0 | 0 | 0 | 112.5 | P603 K604 P605 R611 | P603-S607 PolarHBondContact O-N 3.23Å; K604-S607 PolarHBondContact O-N 3.31Å; K604-S607 PolarHBondContact O-OG 3.42Å; P605-S607 PolarHBondContact O-N 2.91Å; S607-R611 WeakPolarHBondContact O-CG 3.43Å; S607-R611 PolarHBondContact O-N 3.44Å; S607-R611 VanDerWaalsContact O-N 3.09Å |
| 608 | D | 40.3 | Very low | 38.9 | Very low | 64 Ų | 64 | 79.2 Ų | 79.2 | 34% | 0.342 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.5 | -41.2 | 170.7 | -93 | 0 | 0 | 0 | 0 | 111.2 | P605 L606 L610 R611 W612 | P605-D608 PolarHBondContact O-N 2.96Å; P605-D608 VanDerWaalsContact O-N 3.13Å; L606-D608 VanDerWaalsContact C-N 3.33Å; D608-L610 VanDerWaalsContact C-N 3.35Å; D608-L610 PolarHBondContact O-N 3.18Å; D608-R611 WeakPolarHBondContact O-CB 3.37Å; D608-R611 PolarHBondContact O-N 3.32Å; D608-W612 WeakPolarHBondContact O-CB 3.42Å; D608-W612 VanDerWaalsContact O-CG 3.3Å; D608-W612 PolarHBondContact O-N 2.94Å |
| 609 | Y | 46.8 | Very low | 39.7 | Very low | 22 Ų | 22 | 74.3 Ų | 74.3 | 9% | 0.086 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -33.8 | 175.5 | -62.6 | -60.2 | 0 | 0 | 0 | 113 | P605 L606 W612 G613 I691 R751 L755 | P605-Y609 HydrophobicContact CB-CE2 4.27Å; P605-Y609 WeakPolarHBondContact O-CD2 3.39Å; P605-Y609 PolarHBondContact O-N 3.43Å; P605-Y609 VanDerWaalsContact O-N 3.16Å; L606-Y609 PolarHBondContact O-N 3.06Å; Y609-W612 AromaticContact CD1-CE3 3.74Å; Y609-W612 HydrophobicContact CD1-CE3 3.74Å; Y609-W612 HydrophobicContact CD1-CZ3 4.26Å; Y609-W612 AromaticContact CE1-CE3 3.89Å; Y609-W612 HydrophobicContact CE1-CE3 3.89Å; Y609-W612 AromaticContact CE1-CZ3 3.92Å; Y609-W612 HydrophobicContact CE1-CZ3 3.92Å; Y609-W612 CarbonylContact O-C 3.51Å; Y609-W612 WeakPolarHBondContact O-CA 3.39Å; Y609-W612 WeakPolarHBondContact O-CB 3.39Å; Y609-W612 PolarHBondContact O-N 2.88Å; Y609-G613 PolarHBondContact O-N 2.91Å; Y609-I691 HydrophobicContact CD1-CG2 4.45Å; Y609-R751 HydrophobicContact CE1-CB 4.26Å; Y609-R751 WeakPolarHBondContact OH-CB 3.13Å; Y609-R751 PolarHBondContact OH-O 2.9Å; Y609-L755 HydrophobicContact CD1-CD1 3.68Å; Y609-L755 HydrophobicContact CE1-CD1 4.11Å; Y609-L755 HydrophobicContact CG-CD1 3.96Å |
| 610 | L | 39.6 | Very low | 40.3 | Very low | 72 Ų | 72 | 77 Ų | 77 | 38% | 0.377 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.5 | -29.5 | 171.9 | -79.3 | 166.7 | 0 | 0 | 0 | 112.8 | K602 L606 D608 W612 G613 R614 | K602-L610 HydrophobicContact CD-CD1 4.4Å; L606-L610 VanDerWaalsContact O-CB 3.29Å; L606-L610 WeakPolarHBondContact O-CB 3.05Å; L606-L610 WeakPolarHBondContact O-CG 3.26Å; L606-L610 PolarHBondContact O-N 2.99Å; D608-L610 VanDerWaalsContact C-N 3.35Å; D608-L610 PolarHBondContact O-N 3.18Å; L610-W612 VanDerWaalsContact C-N 3.34Å; L610-G613 PolarHBondContact O-N 3.27Å; L610-R614 WeakPolarHBondContact O-CB 3.41Å; L610-R614 VanDerWaalsContact O-CG 3.29Å; L610-R614 WeakPolarHBondContact O-CG 3.43Å; L610-R614 PolarHBondContact O-N 3.19Å; L610-R614 VanDerWaalsContact O-N 3.08Å |
| 611 | R | 42.3 | Very low | 41.2 | Very low | 173 Ų | 173 | 75.7 Ų | 75.7 | 65% | 0.653 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 164.6 | -81.8 | 175 | 157.3 | -164.5 | -7.3 | 110.7 | S607 D608 G613 R614 V615 | S607-R611 WeakPolarHBondContact O-CG 3.43Å; S607-R611 PolarHBondContact O-N 3.44Å; S607-R611 VanDerWaalsContact O-N 3.09Å; D608-R611 WeakPolarHBondContact O-CB 3.37Å; D608-R611 PolarHBondContact O-N 3.32Å; R611-G613 PolarHBondContact O-N 3.12Å; R611-R614 PolarHBondContact O-N 3.45Å; R611-R614 VanDerWaalsContact O-N 3.1Å; R611-V615 PolarHBondContact O-N 3.35Å |
| 612 | W | 46.5 | Very low | 41.9 | Very low | 85 Ų | 85 | 80.9 Ų | 80.9 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.1 | -12.7 | 175.5 | -67.3 | 0.4 | 0 | 0 | 0 | 114 | D608 Y609 L610 I691 W692 R751 | D608-W612 WeakPolarHBondContact O-CB 3.42Å; D608-W612 VanDerWaalsContact O-CG 3.3Å; D608-W612 PolarHBondContact O-N 2.94Å; Y609-W612 AromaticContact CD1-CE3 3.74Å; Y609-W612 HydrophobicContact CD1-CE3 3.74Å; Y609-W612 HydrophobicContact CD1-CZ3 4.26Å; Y609-W612 AromaticContact CE1-CE3 3.89Å; Y609-W612 HydrophobicContact CE1-CE3 3.89Å; Y609-W612 AromaticContact CE1-CZ3 3.92Å; Y609-W612 HydrophobicContact CE1-CZ3 3.92Å; Y609-W612 CarbonylContact O-C 3.51Å; Y609-W612 WeakPolarHBondContact O-CA 3.39Å; Y609-W612 WeakPolarHBondContact O-CB 3.39Å; Y609-W612 PolarHBondContact O-N 2.88Å; L610-W612 VanDerWaalsContact C-N 3.34Å; W612-I691 HydrophobicContact CE3-CB 4.35Å; W612-I691 HydrophobicContact CE3-CG2 3.45Å; W612-I691 VanDerWaalsContact CE3-CG2 3.45Å; W612-I691 HydrophobicContact CZ3-CB 4.46Å; W612-I691 HydrophobicContact CZ3-CD1 4.02Å; W612-I691 HydrophobicContact CZ3-CG2 3.73Å; W612-W692 WeakPolarHBondContact O-CA 3.35Å; W612-R751 VanDerWaalsContact CH2-NH1 3.27Å; W612-R751 HydrophobicContact CZ3-CB 4.41Å |
| 613 | G | 48.9 | Very low | 42.9 | Very low | 10 Ų | 10 | 77.1 Ų | 77.1 | 10% | 0.103 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -94.4 | -18.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y609 L610 R611 | Y609-G613 PolarHBondContact O-N 2.91Å; L610-G613 PolarHBondContact O-N 3.27Å; R611-G613 PolarHBondContact O-N 3.12Å |
| 614 | R | 46.5 | Very low | 43.9 | Very low | 210 Ų | 210 | 77.4 Ų | 77.4 | 79% | 0.792 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -90.4 | -35.7 | -179.1 | -80.2 | 177.9 | 173 | -146.7 | -6.1 | 113.8 | L610 R611 | L610-R614 WeakPolarHBondContact O-CB 3.41Å; L610-R614 VanDerWaalsContact O-CG 3.29Å; L610-R614 WeakPolarHBondContact O-CG 3.43Å; L610-R614 PolarHBondContact O-N 3.19Å; L610-R614 VanDerWaalsContact O-N 3.08Å; R611-R614 PolarHBondContact O-N 3.45Å; R611-R614 VanDerWaalsContact O-N 3.1Å |
| 615 | V | 49.1 | Very low | 44.6 | Very low | 106 Ų | 106 | 74.3 Ų | 74.3 | 64% | 0.642 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -113.1 | 114.7 | -178.4 | -178 | 0 | 0 | 0 | 0 | 108.9 | R611 W692 | R611-V615 PolarHBondContact O-N 3.35Å; V615-W692 VanDerWaalsContact O-CD1 3.27Å |
| 616 | M | 48.1 | Very low | 45 | Very low | 54 Ų | 54 | 82.1 Ų | 82.1 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | trans | -59.3 | 133.4 | 169.7 | -175.1 | 171.4 | 171.7 | 0 | 0 | 109.1 | T625 Y689 W692 | M616-T625 HydrophobicContact CE-CG2 4.09Å; M616-Y689 HydrophobicContact CE-CD2 4.46Å; M616-Y689 HydrophobicContact CE-CE2 4.1Å; M616-W692 HydrophobicContact CB-CZ2 4.47Å | ||
| 617 | P | 52.9 | Low | 45.6 | Very low | 22 Ų | 22 | 85.7 Ų | 85.7 | 14% | 0.143 | 42% | 0.419 | C | S | . | . | trans | -55.6 | 143.5 | 174.8 | -21.2 | 30.6 | 0 | 0 | 0 | 109.8 | T619 A688 W692 | P617-T619 HydrophobicContact CB-CG2 4.23Å; P617-T619 PolarHBondContact O-N 2.96Å; P617-A688 HydrophobicContact CB-CB 3.92Å; P617-A688 HydrophobicContact CG-CB 3.74Å; P617-A688 WeakPolarHBondContact CG-O 3.28Å; P617-W692 HydrophobicContact CG-CB 4.07Å | ||
| 618 | P | 46.9 | Very low | 46.2 | Very low | 122 Ų | 122 | 86 Ų | 86 | 79% | 0.792 | 41% | 0.413 | S | S | * | . | trans | -72.4 | 71.3 | 178 | 30.1 | -35.3 | 0 | 0 | 0 | 110.5 | K620 | P618-K620 PolarHBondContact O-N 3.44Š| ||
| 619 | T | 47.3 | Very low | 46.5 | Very low | 16 Ų | 16 | 87.1 Ų | 87.1 | 10% | 0.098 | 42% | 0.419 | C | S | . | . | trans | -70.7 | 101.5 | -177.2 | 51.3 | 0 | 0 | 0 | 0 | 109.7 | P617 I621 N685 | P617-T619 HydrophobicContact CB-CG2 4.23Å; P617-T619 PolarHBondContact O-N 2.96Å; T619-I621 HydrophobicContact CG2-CD1 4.43Å; T619-I621 PolarHBondContact O-N 2.89Å; T619-N685 HydrophobicContact CG2-CB 4.4Å | ||
| 620 | K | 43.5 | Very low | 46.5 | Very low | 193 Ų | 193 | 90.3 Ų | 90.3 | 84% | 0.839 | 44% | 0.443 | S | S | * | . | trans | -68.6 | 50.5 | 159.8 | -65.9 | -168.7 | 174.2 | -169.3 | 0 | 111.2 | P618 | P618-K620 PolarHBondContact O-N 3.44Š| ||
| 621 | I | 50.1 | Low | 46.9 | Very low | 4 Ų | 4 | 92.9 Ų | 92.9 | 2% | 0.021 | 46% | 0.455 | C | S | . | . | trans | -121.8 | 80 | 177.5 | -54.4 | 175.8 | 0 | 0 | 0 | 106 | T619 G623 L624 T625 Y682 N685 | T619-I621 HydrophobicContact CG2-CD1 4.43Å; T619-I621 PolarHBondContact O-N 2.89Å; I621-G623 PolarHBondContact O-N 3.2Å; I621-L624 HydrophobicContact CD1-CD1 4.36Å; I621-L624 HydrophobicContact CG2-CB 4.21Å; I621-L624 HydrophobicContact CG2-CD1 4.01Å; I621-L624 HydrophobicContact CG2-CG 4.12Å; I621-L624 PolarHBondContact O-N 3.45Å; I621-T625 PolarHBondContact O-OG1 2.87Å; I621-Y682 HydrophobicContact CB-CE2 4.47Å; I621-Y682 HydrophobicContact CD1-CD2 4.22Å; I621-Y682 HydrophobicContact CD1-CE2 4.03Å; I621-Y682 HydrophobicContact CG1-CD2 4.11Å; I621-Y682 HydrophobicContact CG1-CE2 3.97Å; I621-Y682 HydrophobicContact CG2-CE2 3.76Å; I621-N685 HydrophobicContact CD1-CB 3.82Å; I621-N685 HydrophobicContact CG1-CB 4.45Å | ||
| 622 | E | 43.1 | Very low | 47.4 | Very low | 142 Ų | 142 | 86.6 Ų | 86.6 | 66% | 0.664 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -9 | -172.7 | -63.3 | 178.5 | 110.7 | 0 | 0 | 114.2 | R626 | E622-R626 WeakPolarHBondContact O-CD 3.31Å; E622-R626 VanDerWaalsContact O-CG 3.31Å; E622-R626 WeakPolarHBondContact O-CG 3.24Å |
| 623 | G | 48.3 | Very low | 47.6 | Very low | 34 Ų | 34 | 82.9 Ų | 82.9 | 35% | 0.351 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -41.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I621 | I621-G623 PolarHBondContact O-N 3.2Š|
| 624 | L | 48.8 | Very low | 47.7 | Very low | 23 Ų | 23 | 86.1 Ų | 86.1 | 12% | 0.12 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -39.4 | -175.1 | -81.2 | 170.4 | 0 | 0 | 0 | 112 | I621 R626 L627 Y628 L686 | I621-L624 HydrophobicContact CD1-CD1 4.36Å; I621-L624 HydrophobicContact CG2-CB 4.21Å; I621-L624 HydrophobicContact CG2-CD1 4.01Å; I621-L624 HydrophobicContact CG2-CG 4.12Å; I621-L624 PolarHBondContact O-N 3.45Å; L624-R626 PolarHBondContact O-N 3.14Å; L624-L627 PolarHBondContact O-N 2.65Å; L624-L627 VanDerWaalsContact O-N 3.1Å; L624-Y628 PolarHBondContact O-N 3.48Å; L624-L686 HydrophobicContact CD1-CD1 4.43Å |
| 625 | T | 44.2 | Very low | 48 | Very low | 71 Ų | 71 | 81.4 Ų | 81.4 | 44% | 0.436 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -13.7 | 176.3 | 43.3 | 0 | 0 | 0 | 0 | 114 | M616 I621 | M616-T625 HydrophobicContact CE-CG2 4.09Å; I621-T625 PolarHBondContact O-OG1 2.87Å |
| 626 | R | 44.5 | Very low | 48.4 | Very low | 209 Ų | 209 | 77.8 Ų | 77.8 | 79% | 0.789 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -17.5 | 170.5 | -76.4 | -177.4 | -179.5 | -160.8 | 1.5 | 113.9 | E622 L624 | E622-R626 WeakPolarHBondContact O-CD 3.31Å; E622-R626 VanDerWaalsContact O-CG 3.31Å; E622-R626 WeakPolarHBondContact O-CG 3.24Å; L624-R626 PolarHBondContact O-N 3.14Å |
| 627 | L | 45.3 | Very low | 48.7 | Very low | 118 Ų | 118 | 77.5 Ų | 77.5 | 62% | 0.618 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -43.4 | 179.9 | -74 | 166.3 | 0 | 0 | 0 | 112.1 | L624 | L624-L627 PolarHBondContact O-N 2.65Å; L624-L627 VanDerWaalsContact O-N 3.1Å |
| 628 | Y | 48 | Very low | 48.7 | Very low | 57 Ų | 57 | 79.2 Ų | 79.2 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | trans | -121 | 103.8 | -178.3 | -72.9 | -73.7 | 0 | 0 | 0 | 112.8 | L624 I636 H644 | L624-Y628 PolarHBondContact O-N 3.48Å; Y628-I636 HydrophobicContact CD1-CD1 3.63Å; Y628-I636 HydrophobicContact CD1-CG1 4.22Å; Y628-I636 HydrophobicContact CE1-CD1 3.47Å; Y628-I636 VanDerWaalsContact CE1-CD1 3.47Å; Y628-I636 HydrophobicContact CE1-CG1 3.79Å; Y628-I636 HydrophobicContact CG-CD1 4.44Å; Y628-H644 AromaticContact CD2-NE2 3.93Å; Y628-H644 AromaticContact CE2-CE1 3.76Å; Y628-H644 AromaticContact CE2-ND1 3.97Å; Y628-H644 AromaticContact CE2-NE2 3.96Å | ||
| 629 | N | 45.8 | Very low | 49.2 | Very low | 86 Ų | 86 | 80.5 Ų | 80.5 | 46% | 0.46 | 42% | 0.417 | S | S | . | . | trans | -62.8 | 134.5 | 163.6 | -176 | -24.4 | 0 | 0 | 0 | 108.5 | I631 S632 L633 | N629-I631 PolarHBondContact O-N 2.8Å; N629-I631 WeakPolarHBondContact OD1-CG1 3.42Å; N629-I631 PolarHBondContact OD1-N 3.09Å; N629-I631 VanDerWaalsContact OD1-N 3.16Å; N629-S632 PolarHBondContact O-N 3.16Å; N629-S632 PolarHBondContact O-OG 2.91Å; N629-S632 VanDerWaalsContact O-OG 3.05Å; N629-L633 PolarHBondContact O-N 3.21Å | ||
| 630 | P | 46.1 | Very low | 50 | Low | 90 Ų | 90 | 83.9 Ų | 83.9 | 58% | 0.584 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -17.8 | 178.1 | 21.3 | -34.4 | 0 | 0 | 0 | 114.4 | ||
| 631 | I | 48.5 | Very low | 50.8 | Low | 126 Ų | 126 | 75.6 Ų | 75.6 | 65% | 0.646 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -48 | 171.5 | -58.2 | 173.1 | 0 | 0 | 0 | 111.4 | N629 L633 N634 | N629-I631 PolarHBondContact O-N 2.8Å; N629-I631 WeakPolarHBondContact OD1-CG1 3.42Å; N629-I631 PolarHBondContact OD1-N 3.09Å; N629-I631 VanDerWaalsContact OD1-N 3.16Å; I631-L633 VanDerWaalsContact C-N 3.3Å; I631-L633 PolarHBondContact O-N 3.32Å; I631-N634 PolarHBondContact O-N 3.14Å |
| 632 | S | 52.3 | Low | 51.1 | Low | 40 Ų | 40 | 76.6 Ų | 76.6 | 28% | 0.28 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -72.9 | -21.5 | -178.9 | 52.8 | 0 | 0 | 0 | 0 | 113.3 | N629 N634 T635 I636 | N629-S632 PolarHBondContact O-N 3.16Å; N629-S632 PolarHBondContact O-OG 2.91Å; N629-S632 VanDerWaalsContact O-OG 3.05Å; S632-N634 PolarHBondContact O-N 3.45Å; S632-N634 VanDerWaalsContact O-N 3.08Å; S632-T635 WeakPolarHBondContact CA-OG1 3.17Å; S632-T635 PolarHBondContact O-N 2.99Å; S632-T635 PolarHBondContact O-OG1 3.18Å; S632-I636 PolarHBondContact O-N 3.31Å |
| 633 | L | 50.9 | Low | 52.1 | Low | 8 Ų | 8 | 76.5 Ų | 76.5 | 4% | 0.042 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -61.4 | -10.6 | 168.2 | -89 | 148.7 | 0 | 0 | 0 | 114.7 | N629 I631 I636 W692 | N629-L633 PolarHBondContact O-N 3.21Å; I631-L633 VanDerWaalsContact C-N 3.3Å; I631-L633 PolarHBondContact O-N 3.32Å; L633-I636 HydrophobicContact CD2-CD1 3.7Å; L633-I636 HydrophobicContact CG-CD1 4.01Å; L633-W692 HydrophobicContact CD1-CH2 4.01Å; L633-W692 HydrophobicContact CD1-CZ3 4.43Å; L633-W692 HydrophobicContact CD2-CH2 4Å; L633-W692 HydrophobicContact CD2-CZ3 4.02Å; L633-W692 HydrophobicContact CG-CH2 4.46Å |
| 634 | N | 50.9 | Low | 52.8 | Low | 77 Ų | 77 | 75.1 Ų | 75.1 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -96.9 | -6 | 170.4 | -65.2 | -37.6 | 0 | 0 | 0 | 113.6 | I631 S632 K696 K704 | I631-N634 PolarHBondContact O-N 3.14Å; S632-N634 PolarHBondContact O-N 3.45Å; S632-N634 VanDerWaalsContact O-N 3.08Å; N634-K696 PolarHBondContact OD1-NZ 3.47Å; N634-K704 PolarHBondContact O-NZ 2.8Å |
| 635 | T | 52.9 | Low | 53.5 | Low | 111 Ų | 111 | 74.9 Ų | 74.9 | 68% | 0.681 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -11 | -179.1 | 59.2 | 0 | 0 | 0 | 0 | 114.3 | S632 | S632-T635 WeakPolarHBondContact CA-OG1 3.17Å; S632-T635 PolarHBondContact O-N 2.99Å; S632-T635 PolarHBondContact O-OG1 3.18Å |
| 636 | I | 57.7 | Low | 54.4 | Low | 31 Ų | 31 | 73.5 Ų | 73.5 | 16% | 0.159 | 38% | 0.376 | C | S | . | . | trans | -44 | 135 | 171.7 | -84.1 | 174.6 | 0 | 0 | 0 | 111.9 | Y628 S632 L633 E640 L641 | Y628-I636 HydrophobicContact CD1-CD1 3.63Å; Y628-I636 HydrophobicContact CD1-CG1 4.22Å; Y628-I636 HydrophobicContact CE1-CD1 3.47Å; Y628-I636 VanDerWaalsContact CE1-CD1 3.47Å; Y628-I636 HydrophobicContact CE1-CG1 3.79Å; Y628-I636 HydrophobicContact CG-CD1 4.44Å; S632-I636 PolarHBondContact O-N 3.31Å; L633-I636 HydrophobicContact CD2-CD1 3.7Å; L633-I636 HydrophobicContact CG-CD1 4.01Å; I636-E640 WeakPolarHBondContact CA-OE2 3.41Å; I636-E640 HydrophobicContact CG2-CB 3.92Å; I636-L641 HydrophobicContact CG2-CB 3.71Å; I636-L641 HydrophobicContact CG2-CD1 4.25Å | ||
| 637 | S | 53.9 | Low | 55.3 | Low | 48 Ų | 48 | 69 Ų | 69 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | trans | -71 | 161 | 173.2 | 93.9 | 0 | 0 | 0 | 0 | 111.2 | E639 E640 L641 | S637-E639 VanDerWaalsContact C-N 3.29Å; S637-E639 PolarHBondContact O-N 3.45Å; S637-E639 PolarHBondContact OG-N 3.5Å; S637-E640 PolarHBondContact N-OE2 3.04Å; S637-E640 PolarHBondContact O-N 3.3Å; S637-E640 WeakPolarHBondContact OG-CG 3.28Å; S637-E640 PolarHBondContact OG-N 2.96Å; S637-L641 PolarHBondContact O-N 2.91Å | ||
| 638 | L | 53.5 | Low | 56.1 | Low | 58 Ų | 58 | 63.5 Ų | 63.5 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 177.1 | -167.5 | 73.5 | 0 | 0 | 0 | 111.2 | L641 E642 S716 | L638-L641 PolarHBondContact O-N 2.88Å; L638-E642 WeakPolarHBondContact O-CB 3.29Å; L638-E642 VanDerWaalsContact O-CG 3.29Å; L638-E642 WeakPolarHBondContact O-CG 3.42Å; L638-E642 PolarHBondContact O-N 2.87Å; L638-S716 WeakPolarHBondContact CD2-O 3.14Å |
| 639 | E | 57.4 | Low | 56.7 | Low | 148 Ų | 148 | 61.5 Ų | 61.5 | 69% | 0.692 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.2 | -38.1 | 177 | -60.9 | -179.5 | 142.2 | 0 | 0 | 111.8 | S637 E642 Q643 | S637-E639 VanDerWaalsContact C-N 3.29Å; S637-E639 PolarHBondContact O-N 3.45Å; S637-E639 PolarHBondContact OG-N 3.5Å; E639-E642 PolarHBondContact O-N 3.33Å; E639-Q643 WeakPolarHBondContact O-CB 3.41Å; E639-Q643 WeakPolarHBondContact O-CG 3.25Å; E639-Q643 PolarHBondContact O-N 2.91Å |
| 640 | E | 63.6 | Low | 57.6 | Low | 87 Ų | 87 | 61.3 Ų | 61.3 | 41% | 0.407 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 172.3 | -76 | 176.1 | 156.4 | 0 | 0 | 111.5 | I636 S637 E642 Q643 H644 | I636-E640 WeakPolarHBondContact CA-OE2 3.41Å; I636-E640 HydrophobicContact CG2-CB 3.92Å; S637-E640 PolarHBondContact N-OE2 3.04Å; S637-E640 PolarHBondContact O-N 3.3Å; S637-E640 WeakPolarHBondContact OG-CG 3.28Å; S637-E640 PolarHBondContact OG-N 2.96Å; E640-E642 VanDerWaalsContact C-N 3.34Å; E640-Q643 PolarHBondContact O-N 2.78Å; E640-H644 WeakPolarHBondContact O-CB 3.28Å; E640-H644 PolarHBondContact O-N 3.05Å |
| 641 | L | 61.1 | Low | 58.2 | Low | 19 Ų | 19 | 60.8 Ų | 60.8 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 176 | -168.7 | 67.7 | 0 | 0 | 0 | 111.2 | I636 S637 L638 H644 I645 L693 | I636-L641 HydrophobicContact CG2-CB 3.71Å; I636-L641 HydrophobicContact CG2-CD1 4.25Å; S637-L641 PolarHBondContact O-N 2.91Å; L638-L641 PolarHBondContact O-N 2.88Å; L641-H644 PolarHBondContact O-N 2.94Å; L641-I645 HydrophobicContact CG-CD1 4.24Å; L641-I645 WeakPolarHBondContact O-CB 3.36Å; L641-I645 VanDerWaalsContact O-CG1 3.24Å; L641-I645 WeakPolarHBondContact O-CG1 3.5Å; L641-I645 PolarHBondContact O-N 3.46Å; L641-L693 HydrophobicContact CD1-CD1 4.45Å; L641-L693 HydrophobicContact CD1-CD2 3.84Å; L641-L693 HydrophobicContact CD1-CG 4.2Å; L641-L693 HydrophobicContact CG-CD2 4.46Å |
| 642 | E | 56.1 | Low | 58.7 | Low | 26 Ų | 26 | 55.5 Ų | 55.5 | 12% | 0.121 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.5 | -39.9 | 177.8 | -74.2 | 173.4 | 172 | 0 | 0 | 112 | L638 E639 E640 H644 I645 C646 T719 G720 | L638-E642 WeakPolarHBondContact O-CB 3.29Å; L638-E642 VanDerWaalsContact O-CG 3.29Å; L638-E642 WeakPolarHBondContact O-CG 3.42Å; L638-E642 PolarHBondContact O-N 2.87Å; E639-E642 PolarHBondContact O-N 3.33Å; E640-E642 VanDerWaalsContact C-N 3.34Å; E642-H644 VanDerWaalsContact C-N 3.35Å; E642-I645 PolarHBondContact O-N 3.06Å; E642-C646 WeakPolarHBondContact O-CB 3.22Å; E642-C646 PolarHBondContact O-N 3.49Å; E642-C646 PolarHBondContact O-SG 3.02Å; E642-T719 WeakPolarHBondContact OE1-CB 3.36Å; E642-T719 PolarHBondContact OE1-OG1 2.84Å; E642-T719 WeakPolarHBondContact OE2-CB 3.43Å; E642-T719 PolarHBondContact OE2-OG1 3.28Å; E642-G720 WeakPolarHBondContact OE1-CA 3.48Å; E642-G720 PolarHBondContact OE1-N 3.38Å |
| 643 | Q | 63.9 | Low | 58.9 | Low | 139 Ų | 139 | 58.7 Ų | 58.7 | 65% | 0.65 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -60.5 | -43.6 | 168.7 | -79.5 | -170.6 | 3.5 | 0 | 0 | 111.1 | E639 E640 C646 E647 | E639-Q643 WeakPolarHBondContact O-CB 3.41Å; E639-Q643 WeakPolarHBondContact O-CG 3.25Å; E639-Q643 PolarHBondContact O-N 2.91Å; E640-Q643 PolarHBondContact O-N 2.78Å; Q643-C646 CarbonylContact O-C 3.56Å; Q643-C646 WeakPolarHBondContact O-CA 3.5Å; Q643-C646 WeakPolarHBondContact O-CB 3.26Å; Q643-C646 PolarHBondContact O-N 2.96Å; Q643-C646 VanDerWaalsContact O-N 3.14Å; Q643-E647 PolarHBondContact O-N 3.36Å |
| 644 | H | 63.1 | Low | 59 | Low | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.028 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.6 | -34 | -179.8 | -151.5 | 55.8 | 0 | 0 | 0 | 112.5 | Y628 E640 L641 E642 C646 E647 V648 Y689 | Y628-H644 AromaticContact CD2-NE2 3.93Å; Y628-H644 AromaticContact CE2-CE1 3.76Å; Y628-H644 AromaticContact CE2-ND1 3.97Å; Y628-H644 AromaticContact CE2-NE2 3.96Å; E640-H644 WeakPolarHBondContact O-CB 3.28Å; E640-H644 PolarHBondContact O-N 3.05Å; L641-H644 PolarHBondContact O-N 2.94Å; E642-H644 VanDerWaalsContact C-N 3.35Å; H644-C646 VanDerWaalsContact C-N 3.35Å; H644-E647 IonicContact CE1-OE2 3.6Å; H644-E647 IonicContact ND1-OE2 3.53Å; H644-E647 PolarHBondContact ND1-OE2 2.73Å; H644-E647 PolarHBondContact O-N 2.86Å; H644-V648 WeakPolarHBondContact O-CB 3.36Å; H644-V648 VanDerWaalsContact O-CG2 3.25Å; H644-V648 WeakPolarHBondContact O-CG2 3.39Å; H644-V648 PolarHBondContact O-N 2.99Å; H644-Y689 AromaticContact NE2-CE1 3.93Å |
| 645 | I | 62.8 | Low | 58.7 | Low | 17 Ų | 17 | 67.6 Ų | 67.6 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 166.1 | -71.8 | 164.4 | 0 | 0 | 0 | 109.5 | L641 E642 V648 V649 L693 | L641-I645 HydrophobicContact CG-CD1 4.24Å; L641-I645 WeakPolarHBondContact O-CB 3.36Å; L641-I645 VanDerWaalsContact O-CG1 3.24Å; L641-I645 WeakPolarHBondContact O-CG1 3.5Å; L641-I645 PolarHBondContact O-N 3.46Å; E642-I645 PolarHBondContact O-N 3.06Å; I645-V648 PolarHBondContact O-N 3.46Å; I645-V649 HydrophobicContact CG2-CG2 4.12Å; I645-V649 VanDerWaalsContact O-CB 3.22Å; I645-V649 WeakPolarHBondContact O-CB 3.37Å; I645-V649 WeakPolarHBondContact O-CG2 3.37Å; I645-V649 PolarHBondContact O-N 2.72Å; I645-L693 HydrophobicContact CD1-CD2 3.87Å; I645-L693 HydrophobicContact CG1-CD2 3.34Å |
| 646 | C | 63.5 | Low | 58 | Low | 42 Ų | 42 | 66.2 Ų | 66.2 | 28% | 0.284 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 178.7 | -70.3 | 0 | 0 | 0 | 0 | 112.8 | E642 Q643 H644 V649 N650 | E642-C646 WeakPolarHBondContact O-CB 3.22Å; E642-C646 PolarHBondContact O-N 3.49Å; E642-C646 PolarHBondContact O-SG 3.02Å; Q643-C646 CarbonylContact O-C 3.56Å; Q643-C646 WeakPolarHBondContact O-CA 3.5Å; Q643-C646 WeakPolarHBondContact O-CB 3.26Å; Q643-C646 PolarHBondContact O-N 2.96Å; Q643-C646 VanDerWaalsContact O-N 3.14Å; H644-C646 VanDerWaalsContact C-N 3.35Å; C646-V649 PolarHBondContact O-N 3.4Å; C646-N650 WeakPolarHBondContact O-CB 3.45Å; C646-N650 PolarHBondContact O-N 3.09Å; C646-N650 PolarHBondContact O-ND2 3.25Å; C646-N650 VanDerWaalsContact O-ND2 3.15Å |
| 647 | E | 63.4 | Low | 56.7 | Low | 116 Ų | 116 | 73.5 Ų | 73.5 | 54% | 0.542 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.6 | -50.5 | 174.2 | -77.9 | -164.7 | 125.9 | 0 | 0 | 111.3 | Q643 H644 V649 N650 L651 | Q643-E647 PolarHBondContact O-N 3.36Å; H644-E647 IonicContact CE1-OE2 3.6Å; H644-E647 IonicContact ND1-OE2 3.53Å; H644-E647 PolarHBondContact ND1-OE2 2.73Å; H644-E647 PolarHBondContact O-N 2.86Å; E647-V649 VanDerWaalsContact C-N 3.32Å; E647-V649 PolarHBondContact O-N 3.19Å; E647-N650 PolarHBondContact O-N 2.87Å; E647-L651 WeakPolarHBondContact O-CB 3.26Å; E647-L651 VanDerWaalsContact O-CG 3.31Å; E647-L651 WeakPolarHBondContact O-CG 3.4Å; E647-L651 PolarHBondContact O-N 3.11Å |
| 648 | V | 63 | Low | 55.6 | Low | 2 Ų | 2 | 78.8 Ų | 78.8 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.1 | -33.3 | -178.6 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | H644 I645 F652 L686 Y689 L690 | H644-V648 WeakPolarHBondContact O-CB 3.36Å; H644-V648 VanDerWaalsContact O-CG2 3.25Å; H644-V648 WeakPolarHBondContact O-CG2 3.39Å; H644-V648 PolarHBondContact O-N 2.99Å; I645-V648 PolarHBondContact O-N 3.46Å; V648-F652 PolarHBondContact O-N 3.42Å; V648-L686 HydrophobicContact CG1-CD1 3.97Å; V648-L686 HydrophobicContact CG1-CG 3.99Å; V648-Y689 HydrophobicContact CG1-CD1 4.47Å; V648-Y689 HydrophobicContact CG2-CD1 4.28Å; V648-Y689 HydrophobicContact CG2-CE1 4.19Å; V648-L690 HydrophobicContact CB-CD2 3.94Å; V648-L690 HydrophobicContact CG1-CD1 4.33Å; V648-L690 HydrophobicContact CG1-CD2 3.46Å; V648-L690 VanDerWaalsContact CG1-CD2 3.46Å; V648-L690 HydrophobicContact CG1-CG 3.57Å |
| 649 | V | 61.2 | Low | 54.4 | Low | 14 Ų | 14 | 82.6 Ų | 82.6 | 9% | 0.085 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 171.7 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | I645 C646 E647 F652 R653 L690 L727 | I645-V649 HydrophobicContact CG2-CG2 4.12Å; I645-V649 VanDerWaalsContact O-CB 3.22Å; I645-V649 WeakPolarHBondContact O-CB 3.37Å; I645-V649 WeakPolarHBondContact O-CG2 3.37Å; I645-V649 PolarHBondContact O-N 2.72Å; C646-V649 PolarHBondContact O-N 3.4Å; E647-V649 VanDerWaalsContact C-N 3.32Å; E647-V649 PolarHBondContact O-N 3.19Å; V649-F652 CarbonylContact O-C 3.56Å; V649-F652 WeakPolarHBondContact O-CA 3.48Å; V649-F652 VanDerWaalsContact O-CB 3.32Å; V649-F652 WeakPolarHBondContact O-CB 3.19Å; V649-F652 PolarHBondContact O-N 3.35Å; V649-F652 VanDerWaalsContact O-N 3.07Å; V649-R653 PolarHBondContact O-N 2.86Å; V649-L690 HydrophobicContact CG2-CD2 4.34Å; V649-L727 HydrophobicContact CG1-CD1 4.42Å; V649-L727 HydrophobicContact CG2-CD1 3.75Å |
| 650 | N | 63.5 | Low | 53.1 | Low | 83 Ų | 83 | 81.9 Ų | 81.9 | 44% | 0.444 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.7 | -37.7 | 175.1 | -73.9 | -26.4 | 0 | 0 | 0 | 111.6 | C646 E647 F652 R653 T654 | C646-N650 WeakPolarHBondContact O-CB 3.45Å; C646-N650 PolarHBondContact O-N 3.09Å; C646-N650 PolarHBondContact O-ND2 3.25Å; C646-N650 VanDerWaalsContact O-ND2 3.15Å; E647-N650 PolarHBondContact O-N 2.87Å; N650-F652 PolarHBondContact O-N 3.04Å; N650-R653 PolarHBondContact O-N 3.11Å; N650-T654 PolarHBondContact O-N 2.81Å; N650-T654 PolarHBondContact O-OG1 3.14Å |
| 651 | L | 59.6 | Low | 51.6 | Low | 79 Ų | 79 | 85.8 Ų | 85.8 | 41% | 0.414 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -20 | 167.4 | -70.8 | 167.9 | 0 | 0 | 0 | 113 | E647 T654 L686 | E647-L651 WeakPolarHBondContact O-CB 3.26Å; E647-L651 VanDerWaalsContact O-CG 3.31Å; E647-L651 WeakPolarHBondContact O-CG 3.4Å; E647-L651 PolarHBondContact O-N 3.11Å; L651-T654 PolarHBondContact O-OG1 3.49Å; L651-L686 HydrophobicContact CB-CD2 4.08Å |
| 652 | F | 58.1 | Low | 50.4 | Low | 15 Ų | 15 | 91 Ų | 91 | 7% | 0.066 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -86.7 | -26.6 | 168.4 | -104.2 | -73.8 | 0 | 0 | 0 | 114.1 | V648 V649 N650 L686 L687 L690 Q734 | V648-F652 PolarHBondContact O-N 3.42Å; V649-F652 CarbonylContact O-C 3.56Å; V649-F652 WeakPolarHBondContact O-CA 3.48Å; V649-F652 VanDerWaalsContact O-CB 3.32Å; V649-F652 WeakPolarHBondContact O-CB 3.19Å; V649-F652 PolarHBondContact O-N 3.35Å; V649-F652 VanDerWaalsContact O-N 3.07Å; N650-F652 PolarHBondContact O-N 3.04Å; F652-L686 HydrophobicContact CD2-CD2 3.6Å; F652-L686 HydrophobicContact CD2-CG 3.97Å; F652-L686 HydrophobicContact CE2-CB 3.72Å; F652-L686 HydrophobicContact CE2-CD2 3.54Å; F652-L686 HydrophobicContact CE2-CG 3.51Å; F652-L686 HydrophobicContact CG-CD2 4.35Å; F652-L686 HydrophobicContact CZ-CB 4.05Å; F652-L686 HydrophobicContact CZ-CD2 4.2Å; F652-L686 HydrophobicContact CZ-CG 4.29Å; F652-L687 HydrophobicContact CE2-CB 4.43Å; F652-L687 HydrophobicContact CZ-CB 3.74Å; F652-L687 HydrophobicContact CZ-CD1 4.06Å; F652-L687 HydrophobicContact CZ-CG 4.48Å; F652-L690 HydrophobicContact CD2-CD1 3.41Å; F652-L690 VanDerWaalsContact CD2-CD1 3.41Å; F652-L690 HydrophobicContact CD2-CG 4.22Å; F652-L690 HydrophobicContact CE2-CD1 3.6Å; F652-L690 HydrophobicContact CE2-CG 4.17Å; F652-L690 HydrophobicContact CG-CD1 4.27Å; F652-Q734 PolarHBondContact O-NE2 3.38Å |
| 653 | R | 56.2 | Low | 49.2 | Very low | 106 Ų | 106 | 95.5 Ų | 95.5 | 40% | 0.4 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -80.2 | -27.1 | 177.2 | -79.9 | 178.4 | 165.3 | 162.5 | -2.8 | 113.1 | V649 N650 R655 E730 | V649-R653 PolarHBondContact O-N 2.86Å; N650-R653 PolarHBondContact O-N 3.11Å; R653-R655 PolarHBondContact O-N 3.2Å; R653-E730 HydrophobicContact CG-CG 4.34Å |
| 654 | T | 54.1 | Low | 47.9 | Very low | 71 Ų | 71 | 91.8 Ų | 91.8 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | trans | -63.4 | 104.7 | 178.2 | 44 | 0 | 0 | 0 | 0 | 111.2 | N650 L651 R683 | N650-T654 PolarHBondContact O-N 2.81Å; N650-T654 PolarHBondContact O-OG1 3.14Å; L651-T654 PolarHBondContact O-OG1 3.49Å; T654-R683 PolarHBondContact O-NH2 3.46Å | ||
| 655 | R | 44.5 | Very low | 46.6 | Very low | 201 Ų | 201 | 96 Ų | 96 | 76% | 0.758 | 51% | 0.506 | S | S | * | . | trans | -79.6 | -24.5 | -174.8 | -78.6 | -174.1 | 172.4 | -167.8 | -2.1 | 114 | R653 | R653-R655 PolarHBondContact O-N 3.2Š| ||
| 656 | S | 37.2 | Very low | 45.2 | Very low | 83 Ų | 83 | 105.5 Ų | 105.5 | 58% | 0.58 | 54% | 0.54 | S | S | * | . | trans | -127.3 | 129.5 | -175.2 | 45.9 | 0 | 0 | 0 | 0 | 110.5 | E658 | S656-E658 PolarHBondContact O-N 3.42Š| ||
| 657 | F | 31.3 | Very low | 43.9 | Very low | 184 Ų | 184 | 106.9 Ų | 106.9 | 81% | 0.807 | 54% | 0.544 | S | S | * | . | trans | -96.8 | 40.5 | 174.2 | -131.3 | -75.9 | 0 | 0 | 0 | 110.9 | ||||
| 658 | E | 30.6 | Very low | 42.6 | Very low | 158 Ų | 158 | 104.6 Ų | 104.6 | 74% | 0.738 | 54% | 0.542 | S | S | * | . | trans | -131.6 | 137 | -175.8 | -71.2 | 174.1 | 162.2 | 0 | 0 | 108.7 | S656 | S656-E658 PolarHBondContact O-N 3.42Š| ||
| 659 | T | 27.4 | Very low | 41.4 | Very low | 138 Ų | 138 | 109.9 Ų | 109.9 | 85% | 0.847 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 54.8 | 88.7 | 176 | 58.7 | 0 | 0 | 0 | 0 | 117.7 | ||
| 660 | T | 30.3 | Very low | 40.4 | Very low | 133 Ų | 133 | 112.5 Ų | 112.5 | 82% | 0.816 | 59% | 0.587 | S | S | * | * | trans | -173.5 | 128.4 | 139.8 | 13.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 661 | E | 32.1 | Very low | 39.1 | Very low | 170 Ų | 170 | 118.7 Ų | 118.7 | 79% | 0.794 | 60% | 0.604 | S | S | * | * | trans | -88.8 | -16.3 | -158.5 | -62.7 | 179.8 | 115.8 | 0 | 0 | 115.2 | L663 S664 | E661-L663 PolarHBondContact O-N 2.92Å; E661-S664 VanDerWaalsContact O-CB 3.26Å; E661-S664 WeakPolarHBondContact O-CB 3.14Å; E661-S664 PolarHBondContact O-N 2.78Å; E661-S664 PolarHBondContact O-OG 3.25Å | ||
| 662 | T | 36.2 | Very low | 37.9 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -20 | -165 | 50.2 | 0 | 0 | 0 | 0 | 115.9 | ||
| 663 | L | 32.3 | Very low | 36.6 | Very low | 119 Ų | 119 | 122.1 Ų | 122.1 | 62% | 0.623 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 0.3 | 175.8 | -75.7 | 169.9 | 0 | 0 | 0 | 114 | E661 S665 R666 | E661-L663 PolarHBondContact O-N 2.92Å; L663-S665 VanDerWaalsContact C-N 3.3Å; L663-S665 PolarHBondContact O-N 3.14Å; L663-R666 PolarHBondContact O-N 3.21Å |
| 664 | S | 35.1 | Very low | 35.5 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 43% | 0.434 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.3 | -28.9 | -172.5 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | E661 | E661-S664 VanDerWaalsContact O-CB 3.26Å; E661-S664 WeakPolarHBondContact O-CB 3.14Å; E661-S664 PolarHBondContact O-N 2.78Å; E661-S664 PolarHBondContact O-OG 3.25Å |
| 665 | S | 35.9 | Very low | 34.5 | Very low | 95 Ų | 95 | 125 Ų | 125 | 66% | 0.664 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -29.8 | -177.9 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | L663 | L663-S665 VanDerWaalsContact C-N 3.3Å; L663-S665 PolarHBondContact O-N 3.14Å |
| 666 | R | 33.8 | Very low | 34 | Very low | 216 Ų | 216 | 126.3 Ų | 126.3 | 82% | 0.815 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -11.7 | -175.9 | -79.9 | -176.4 | 158.4 | -168.1 | -6.6 | 115 | L663 | L663-R666 PolarHBondContact O-N 3.21Š|
| 667 | L | 36.7 | Very low | 34.2 | Very low | 70 Ų | 70 | 126.9 Ų | 126.9 | 37% | 0.366 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -114.8 | 4.9 | -177.5 | -77.3 | 165.1 | 0 | 0 | 0 | 114 | T669 I670 | L667-T669 VanDerWaalsContact C-N 3.31Å; L667-T669 PolarHBondContact O-N 2.74Å; L667-I670 HydrophobicContact CD2-CD1 4.12Å; L667-I670 PolarHBondContact O-N 3.13Å |
| 668 | S | 36 | Very low | 34.5 | Very low | 69 Ų | 69 | 119.9 Ų | 119.9 | 48% | 0.483 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -57.2 | -36.2 | -173.3 | 53 | 0 | 0 | 0 | 0 | 114.4 | I670 R671 | S668-I670 VanDerWaalsContact C-N 3.27Å; S668-I670 PolarHBondContact O-N 3.39Å; S668-R671 PolarHBondContact O-N 2.96Å |
| 669 | T | 37.9 | Very low | 35 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 69% | 0.687 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -64 | -24 | -179.1 | 47.3 | 0 | 0 | 0 | 0 | 114.5 | L667 R671 | L667-T669 VanDerWaalsContact C-N 3.31Å; L667-T669 PolarHBondContact O-N 2.74Å; T669-R671 VanDerWaalsContact C-N 3.35Å |
| 670 | I | 39.9 | Very low | 35.8 | Very low | 70 Ų | 70 | 119.4 Ų | 119.4 | 36% | 0.359 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -81.8 | -14.6 | -176.3 | -61.1 | 179.9 | 0 | 0 | 0 | 112 | L667 S668 A672 | L667-I670 HydrophobicContact CD2-CD1 4.12Å; L667-I670 PolarHBondContact O-N 3.13Å; S668-I670 VanDerWaalsContact C-N 3.27Å; S668-I670 PolarHBondContact O-N 3.39Å; I670-A672 PolarHBondContact O-N 3.47Å; I670-A672 VanDerWaalsContact O-N 3.15Å |
| 671 | R | 36.4 | Very low | 36.9 | Very low | 213 Ų | 213 | 115.3 Ų | 115.3 | 80% | 0.804 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -69.5 | -7.9 | -177.8 | -74.1 | -175.2 | 169.3 | 177.8 | -3.6 | 115.2 | S668 T669 S673 | S668-R671 PolarHBondContact O-N 2.96Å; T669-R671 VanDerWaalsContact C-N 3.35Å; R671-S673 PolarHBondContact O-N 3.14Å |
| 672 | A | 34 | Very low | 38 | Very low | 94 Ų | 94 | 110.7 Ų | 110.7 | 78% | 0.777 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -85.6 | -0.2 | -171 | 0 | 0 | 0 | 0 | 0 | 116.2 | I670 | I670-A672 PolarHBondContact O-N 3.47Å; I670-A672 VanDerWaalsContact O-N 3.15Å |
| 673 | S | 31.3 | Very low | 39.2 | Very low | 71 Ų | 71 | 110 Ų | 110 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | trans | -108.3 | 120.8 | -177.4 | 76.1 | 0 | 0 | 0 | 0 | 113.2 | R671 N675 | R671-S673 PolarHBondContact O-N 3.14Å; S673-N675 PolarHBondContact O-N 3.28Å; S673-N675 VanDerWaalsContact O-N 3.16Å | ||
| 674 | P | 33.1 | Very low | 40.4 | Very low | 133 Ų | 133 | 106.6 Ų | 106.6 | 86% | 0.864 | 56% | 0.56 | S | S | * | * | trans | -80.6 | 10 | -174.3 | 32.5 | -36.9 | 0 | 0 | 0 | 114.3 | R676 | P674-R676 PolarHBondContact O-N 3.19Š| ||
| 675 | N | 33.7 | Very low | 41.6 | Very low | 104 Ų | 104 | 105.1 Ų | 105.1 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | trans | -91 | 104.5 | -167.6 | -110.7 | -45 | 0 | 0 | 0 | 112.2 | S673 T677 A678 | S673-N675 PolarHBondContact O-N 3.28Å; S673-N675 VanDerWaalsContact O-N 3.16Å; N675-T677 PolarHBondContact O-N 2.84Å; N675-T677 PolarHBondContact OD1-OG1 3.02Å; N675-A678 VanDerWaalsContact O-CB 3.31Å; N675-A678 WeakPolarHBondContact O-CB 3.49Å; N675-A678 PolarHBondContact O-N 2.88Å | ||
| 676 | R | 33.9 | Very low | 43 | Very low | 230 Ų | 230 | 100.7 Ų | 100.7 | 87% | 0.868 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -51.9 | -23 | 172.2 | -96.6 | -177.4 | 169 | -177.6 | -2.8 | 113.9 | P674 A678 | P674-R676 PolarHBondContact O-N 3.19Å; R676-A678 VanDerWaalsContact C-N 3.33Å |
| 677 | T | 40.7 | Very low | 44.6 | Very low | 95 Ų | 95 | 90.7 Ų | 90.7 | 58% | 0.583 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.2 | -28.5 | 174.1 | 47.1 | 0 | 0 | 0 | 0 | 113.6 | N675 K680 S681 | N675-T677 PolarHBondContact O-N 2.84Å; N675-T677 PolarHBondContact OD1-OG1 3.02Å; T677-K680 PolarHBondContact O-N 3.03Å; T677-S681 PolarHBondContact O-N 3.34Å |
| 678 | A | 37.8 | Very low | 45.7 | Very low | 37 Ų | 37 | 89 Ų | 89 | 31% | 0.306 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N675 R676 K680 S681 Y682 | N675-A678 VanDerWaalsContact O-CB 3.31Å; N675-A678 WeakPolarHBondContact O-CB 3.49Å; N675-A678 PolarHBondContact O-N 2.88Å; R676-A678 VanDerWaalsContact C-N 3.33Å; A678-K680 VanDerWaalsContact C-N 3.33Å; A678-K680 PolarHBondContact O-N 3.16Å; A678-S681 PolarHBondContact O-N 3.09Å; A678-S681 PolarHBondContact O-OG 2.96Å; A678-Y682 PolarHBondContact O-N 3.28Å |
| 679 | I | 41.6 | Very low | 47.1 | Very low | 134 Ų | 134 | 86 Ų | 86 | 69% | 0.687 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.3 | -37.5 | 178.9 | -57.8 | 176.2 | 0 | 0 | 0 | 110.8 | Y682 | I679-Y682 PolarHBondContact O-N 3.05Å |
| 680 | K | 43.1 | Very low | 48.6 | Very low | 152 Ų | 152 | 81.1 Ų | 81.1 | 66% | 0.661 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 172.3 | -79 | -172.6 | 175.2 | -178.5 | 0 | 111.7 | T677 A678 Y682 T684 | T677-K680 PolarHBondContact O-N 3.03Å; A678-K680 VanDerWaalsContact C-N 3.33Å; A678-K680 PolarHBondContact O-N 3.16Å; K680-Y682 VanDerWaalsContact C-N 3.31Å; K680-Y682 PolarHBondContact O-N 3.4Å; K680-T684 PolarHBondContact O-OG1 2.88Å |
| 681 | S | 53.2 | Low | 49.7 | Very low | 47 Ų | 47 | 78 Ų | 78 | 33% | 0.329 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.9 | -32.6 | 178.9 | 79.5 | 0 | 0 | 0 | 0 | 112.3 | T677 A678 T684 N685 | T677-S681 PolarHBondContact O-N 3.34Å; A678-S681 PolarHBondContact O-N 3.09Å; A678-S681 PolarHBondContact O-OG 2.96Å; S681-T684 WeakPolarHBondContact CA-OG1 3.39Å; S681-T684 PolarHBondContact O-N 3.09Å; S681-T684 PolarHBondContact O-OG1 2.94Å; S681-N685 WeakPolarHBondContact O-CB 3.31Å; S681-N685 PolarHBondContact O-N 3.28Å; S681-N685 PolarHBondContact O-ND2 2.74Å; S681-N685 PolarHBondContact O-OD1 3.4Å |
| 682 | Y | 54.6 | Low | 51.1 | Low | 72 Ų | 72 | 68.8 Ų | 68.8 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.6 | -51.1 | -179.8 | -161 | -81.2 | 0 | 0 | 0 | 112.6 | I621 A678 I679 K680 T684 N685 L686 | I621-Y682 HydrophobicContact CB-CE2 4.47Å; I621-Y682 HydrophobicContact CD1-CD2 4.22Å; I621-Y682 HydrophobicContact CD1-CE2 4.03Å; I621-Y682 HydrophobicContact CG1-CD2 4.11Å; I621-Y682 HydrophobicContact CG1-CE2 3.97Å; I621-Y682 HydrophobicContact CG2-CE2 3.76Å; A678-Y682 PolarHBondContact O-N 3.28Å; I679-Y682 PolarHBondContact O-N 3.05Å; K680-Y682 VanDerWaalsContact C-N 3.31Å; K680-Y682 PolarHBondContact O-N 3.4Å; Y682-T684 PolarHBondContact O-N 3.04Å; Y682-N685 PolarHBondContact O-N 3.35Å; Y682-L686 HydrophobicContact CE1-CD1 4.4Å; Y682-L686 WeakPolarHBondContact O-CB 3.49Å; Y682-L686 PolarHBondContact O-N 3.4Å |
| 683 | R | 61.5 | Low | 52.7 | Low | 114 Ų | 114 | 64.5 Ų | 64.5 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 178.5 | -95.2 | -174.1 | 174.1 | 159.7 | 2.7 | 113.1 | T654 L687 | T654-R683 PolarHBondContact O-NH2 3.46Å; R683-L687 WeakPolarHBondContact O-CB 3.34Å; R683-L687 PolarHBondContact O-N 3.42Å |
| 684 | T | 59.3 | Low | 54.3 | Low | 49 Ų | 49 | 62.2 Ų | 62.2 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.8 | -36.6 | 173.8 | 47.5 | 0 | 0 | 0 | 0 | 112.4 | K680 S681 Y682 L687 A688 V745 | K680-T684 PolarHBondContact O-OG1 2.88Å; S681-T684 WeakPolarHBondContact CA-OG1 3.39Å; S681-T684 PolarHBondContact O-N 3.09Å; S681-T684 PolarHBondContact O-OG1 2.94Å; Y682-T684 PolarHBondContact O-N 3.04Å; T684-L687 PolarHBondContact O-N 2.78Å; T684-A688 WeakPolarHBondContact O-CB 3.39Å; T684-A688 PolarHBondContact O-N 2.82Å; T684-V745 HydrophobicContact CG2-CG2 3.8Å |
| 685 | N | 60 | Low | 55.5 | Low | 30 Ų | 30 | 56.3 Ų | 56.3 | 16% | 0.16 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69 | -41.2 | 176.6 | -71.5 | -10.5 | 0 | 0 | 0 | 111.2 | T619 I621 S681 Y682 L687 A688 Y689 | T619-N685 HydrophobicContact CG2-CB 4.4Å; I621-N685 HydrophobicContact CD1-CB 3.82Å; I621-N685 HydrophobicContact CG1-CB 4.45Å; S681-N685 WeakPolarHBondContact O-CB 3.31Å; S681-N685 PolarHBondContact O-N 3.28Å; S681-N685 PolarHBondContact O-ND2 2.74Å; S681-N685 PolarHBondContact O-OD1 3.4Å; Y682-N685 PolarHBondContact O-N 3.35Å; N685-L687 VanDerWaalsContact C-N 3.35Å; N685-A688 PolarHBondContact O-N 2.93Å; N685-Y689 WeakPolarHBondContact O-CB 3.47Å; N685-Y689 PolarHBondContact O-N 3.21Å |
| 686 | L | 65.5 | Low | 56.8 | Low | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 174.8 | -158.6 | 73.5 | 0 | 0 | 0 | 111 | L624 V648 L651 F652 Y682 Y689 L690 | L624-L686 HydrophobicContact CD1-CD1 4.43Å; V648-L686 HydrophobicContact CG1-CD1 3.97Å; V648-L686 HydrophobicContact CG1-CG 3.99Å; L651-L686 HydrophobicContact CB-CD2 4.08Å; F652-L686 HydrophobicContact CD2-CD2 3.6Å; F652-L686 HydrophobicContact CD2-CG 3.97Å; F652-L686 HydrophobicContact CE2-CB 3.72Å; F652-L686 HydrophobicContact CE2-CD2 3.54Å; F652-L686 HydrophobicContact CE2-CG 3.51Å; F652-L686 HydrophobicContact CG-CD2 4.35Å; F652-L686 HydrophobicContact CZ-CB 4.05Å; F652-L686 HydrophobicContact CZ-CD2 4.2Å; F652-L686 HydrophobicContact CZ-CG 4.29Å; Y682-L686 HydrophobicContact CE1-CD1 4.4Å; Y682-L686 WeakPolarHBondContact O-CB 3.49Å; Y682-L686 PolarHBondContact O-N 3.4Å; L686-Y689 PolarHBondContact O-N 3.01Å; L686-L690 PolarHBondContact O-N 2.97Å |
| 687 | L | 66.1 | Low | 58 | Low | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.8 | -43.4 | 175.7 | -169.6 | 59 | 0 | 0 | 0 | 111.5 | F652 R683 T684 N685 Y689 L690 I691 V745 L749 L752 | F652-L687 HydrophobicContact CE2-CB 4.43Å; F652-L687 HydrophobicContact CZ-CB 3.74Å; F652-L687 HydrophobicContact CZ-CD1 4.06Å; F652-L687 HydrophobicContact CZ-CG 4.48Å; R683-L687 WeakPolarHBondContact O-CB 3.34Å; R683-L687 PolarHBondContact O-N 3.42Å; T684-L687 PolarHBondContact O-N 2.78Å; N685-L687 VanDerWaalsContact C-N 3.35Å; L687-Y689 PolarHBondContact O-N 3.07Å; L687-L690 PolarHBondContact O-N 3.41Å; L687-I691 HydrophobicContact CD1-CD1 4.46Å; L687-I691 HydrophobicContact CG-CD1 4.02Å; L687-I691 WeakPolarHBondContact O-CD1 3.42Å; L687-I691 VanDerWaalsContact O-CG1 3.27Å; L687-I691 WeakPolarHBondContact O-CG1 3.25Å; L687-I691 PolarHBondContact O-N 3.34Å; L687-V745 HydrophobicContact CD2-CG1 3.96Å; L687-V745 WeakPolarHBondContact CD2-O 3.28Å; L687-L749 HydrophobicContact CD1-CD2 4.04Å; L687-L749 HydrophobicContact CD2-CD2 4.49Å; L687-L749 HydrophobicContact CD2-CG 4.29Å; L687-L752 HydrophobicContact CD1-CD2 4.22Å |
| 688 | A | 59.4 | Low | 58.5 | Low | 35 Ų | 35 | 40 Ų | 40 | 29% | 0.289 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.6 | -35.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P617 T684 N685 W692 | P617-A688 HydrophobicContact CB-CB 3.92Å; P617-A688 HydrophobicContact CG-CB 3.74Å; P617-A688 WeakPolarHBondContact CG-O 3.28Å; T684-A688 WeakPolarHBondContact O-CB 3.39Å; T684-A688 PolarHBondContact O-N 2.82Å; N685-A688 PolarHBondContact O-N 2.93Å; A688-W692 VanDerWaalsContact O-CB 3.22Å; A688-W692 WeakPolarHBondContact O-CB 3.29Å; A688-W692 PolarHBondContact O-N 2.93Å |
| 689 | Y | 65.9 | Low | 59.1 | Low | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.1 | -44.1 | 174.4 | -170.6 | -107.9 | 0 | 0 | 0 | 112.1 | M616 H644 V648 N685 L686 L687 I691 W692 L693 | M616-Y689 HydrophobicContact CE-CD2 4.46Å; M616-Y689 HydrophobicContact CE-CE2 4.1Å; H644-Y689 AromaticContact NE2-CE1 3.93Å; V648-Y689 HydrophobicContact CG1-CD1 4.47Å; V648-Y689 HydrophobicContact CG2-CD1 4.28Å; V648-Y689 HydrophobicContact CG2-CE1 4.19Å; N685-Y689 WeakPolarHBondContact O-CB 3.47Å; N685-Y689 PolarHBondContact O-N 3.21Å; L686-Y689 PolarHBondContact O-N 3.01Å; L687-Y689 PolarHBondContact O-N 3.07Å; Y689-I691 PolarHBondContact O-N 2.65Å; Y689-W692 HydrophobicContact CD2-CE3 4.19Å; Y689-W692 AromaticContact CE2-CE3 3.92Å; Y689-W692 HydrophobicContact CE2-CE3 3.92Å; Y689-W692 HydrophobicContact CE2-CZ3 4.02Å; Y689-W692 PolarHBondContact O-N 3.1Å; Y689-L693 HydrophobicContact CE1-CD1 3.75Å; Y689-L693 WeakPolarHBondContact O-CB 3.38Å; Y689-L693 PolarHBondContact O-N 3.17Å |
| 690 | L | 68.7 | Low | 59.5 | Low | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -47 | 171.9 | -85.3 | -176.6 | 0 | 0 | 0 | 112.2 | V648 V649 F652 L686 L687 L693 M694 | V648-L690 HydrophobicContact CB-CD2 3.94Å; V648-L690 HydrophobicContact CG1-CD1 4.33Å; V648-L690 HydrophobicContact CG1-CD2 3.46Å; V648-L690 VanDerWaalsContact CG1-CD2 3.46Å; V648-L690 HydrophobicContact CG1-CG 3.57Å; V649-L690 HydrophobicContact CG2-CD2 4.34Å; F652-L690 HydrophobicContact CD2-CD1 3.41Å; F652-L690 VanDerWaalsContact CD2-CD1 3.41Å; F652-L690 HydrophobicContact CD2-CG 4.22Å; F652-L690 HydrophobicContact CE2-CD1 3.6Å; F652-L690 HydrophobicContact CE2-CG 4.17Å; F652-L690 HydrophobicContact CG-CD1 4.27Å; L686-L690 PolarHBondContact O-N 2.97Å; L687-L690 PolarHBondContact O-N 3.41Å; L690-L693 PolarHBondContact O-N 3.39Å; L690-M694 WeakPolarHBondContact O-CB 3.45Å; L690-M694 VanDerWaalsContact O-CG 3.29Å; L690-M694 WeakPolarHBondContact O-CG 3.33Å; L690-M694 PolarHBondContact O-N 3.02Å |
| 691 | I | 63.6 | Low | 59.7 | Low | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.5 | -37.5 | -178.6 | -54.3 | 157.1 | 0 | 0 | 0 | 110.6 | Y609 W612 L687 Y689 L693 A695 L752 | Y609-I691 HydrophobicContact CD1-CG2 4.45Å; W612-I691 HydrophobicContact CE3-CB 4.35Å; W612-I691 HydrophobicContact CE3-CG2 3.45Å; W612-I691 VanDerWaalsContact CE3-CG2 3.45Å; W612-I691 HydrophobicContact CZ3-CB 4.46Å; W612-I691 HydrophobicContact CZ3-CD1 4.02Å; W612-I691 HydrophobicContact CZ3-CG2 3.73Å; L687-I691 HydrophobicContact CD1-CD1 4.46Å; L687-I691 HydrophobicContact CG-CD1 4.02Å; L687-I691 WeakPolarHBondContact O-CD1 3.42Å; L687-I691 VanDerWaalsContact O-CG1 3.27Å; L687-I691 WeakPolarHBondContact O-CG1 3.25Å; L687-I691 PolarHBondContact O-N 3.34Å; Y689-I691 PolarHBondContact O-N 2.65Å; I691-L693 VanDerWaalsContact C-N 3.35Å; I691-A695 VanDerWaalsContact O-CB 3.26Å; I691-A695 WeakPolarHBondContact O-CB 3.15Å; I691-A695 PolarHBondContact O-N 2.91Å; I691-L752 HydrophobicContact CG1-CB 4.25Å; I691-L752 HydrophobicContact CG1-CD1 4.13Å; I691-L752 HydrophobicContact CG1-CD2 4.41Å; I691-L752 HydrophobicContact CG1-CG 4.49Å |
| 692 | W | 66.9 | Low | 59 | Low | 18 Ų | 18 | 34.3 Ų | 34.3 | 7% | 0.068 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 170.6 | 176.7 | 91.2 | 0 | 0 | 0 | 111.2 | W612 V615 M616 P617 L633 A688 Y689 A695 K696 | W612-W692 WeakPolarHBondContact O-CA 3.35Å; V615-W692 VanDerWaalsContact O-CD1 3.27Å; M616-W692 HydrophobicContact CB-CZ2 4.47Å; P617-W692 HydrophobicContact CG-CB 4.07Å; L633-W692 HydrophobicContact CD1-CH2 4.01Å; L633-W692 HydrophobicContact CD1-CZ3 4.43Å; L633-W692 HydrophobicContact CD2-CH2 4Å; L633-W692 HydrophobicContact CD2-CZ3 4.02Å; L633-W692 HydrophobicContact CG-CH2 4.46Å; A688-W692 VanDerWaalsContact O-CB 3.22Å; A688-W692 WeakPolarHBondContact O-CB 3.29Å; A688-W692 PolarHBondContact O-N 2.93Å; Y689-W692 HydrophobicContact CD2-CE3 4.19Å; Y689-W692 AromaticContact CE2-CE3 3.92Å; Y689-W692 HydrophobicContact CE2-CE3 3.92Å; Y689-W692 HydrophobicContact CE2-CZ3 4.02Å; Y689-W692 PolarHBondContact O-N 3.1Å; W692-A695 CarbonylContact O-C 3.55Å; W692-A695 PolarHBondContact O-N 3.13Å; W692-K696 HydrophobicContact CH2-CB 4.49Å; W692-K696 HydrophobicContact CH2-CD 4.49Å; W692-K696 HydrophobicContact CH2-CG 4.03Å; W692-K696 HydrophobicContact CZ2-CD 4.2Å; W692-K696 HydrophobicContact CZ2-CG 4.14Å; W692-K696 HydrophobicContact CZ3-CB 4.5Å; W692-K696 HydrophobicContact CZ3-CG 4.41Å; W692-K696 WeakPolarHBondContact O-CB 3.12Å; W692-K696 PolarHBondContact O-N 3.35Å |
| 693 | L | 66.6 | Low | 58.1 | Low | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -72 | -36 | -175.5 | -162.2 | 139.8 | 0 | 0 | 0 | 112.2 | L641 I645 Y689 L690 I691 K696 S697 | L641-L693 HydrophobicContact CD1-CD1 4.45Å; L641-L693 HydrophobicContact CD1-CD2 3.84Å; L641-L693 HydrophobicContact CD1-CG 4.2Å; L641-L693 HydrophobicContact CG-CD2 4.46Å; I645-L693 HydrophobicContact CD1-CD2 3.87Å; I645-L693 HydrophobicContact CG1-CD2 3.34Å; Y689-L693 HydrophobicContact CE1-CD1 3.75Å; Y689-L693 WeakPolarHBondContact O-CB 3.38Å; Y689-L693 PolarHBondContact O-N 3.17Å; L690-L693 PolarHBondContact O-N 3.39Å; I691-L693 VanDerWaalsContact C-N 3.35Å; L693-K696 PolarHBondContact O-N 3.13Å; L693-S697 PolarHBondContact O-N 2.85Å |
| 694 | M | 64.5 | Low | 56.7 | Low | 24 Ų | 24 | 34.5 Ų | 34.5 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.4 | -36.5 | 170 | -67.9 | -68.2 | -68.5 | 0 | 0 | 112.7 | L690 K696 S697 N698 L752 L755 I756 | L690-M694 WeakPolarHBondContact O-CB 3.45Å; L690-M694 VanDerWaalsContact O-CG 3.29Å; L690-M694 WeakPolarHBondContact O-CG 3.33Å; L690-M694 PolarHBondContact O-N 3.02Å; M694-K696 VanDerWaalsContact C-N 3.33Å; M694-S697 PolarHBondContact O-OG 2.75Å; M694-N698 PolarHBondContact O-N 3.2Å; M694-L752 HydrophobicContact CG-CD1 4.38Å; M694-L755 HydrophobicContact CB-CD2 4.06Å; M694-I756 HydrophobicContact CE-CG1 4.33Å |
| 695 | A | 59.6 | Low | 55.3 | Low | 9 Ų | 9 | 38.2 Ų | 38.2 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.5 | -34 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I691 W692 N698 S699 | I691-A695 VanDerWaalsContact O-CB 3.26Å; I691-A695 WeakPolarHBondContact O-CB 3.15Å; I691-A695 PolarHBondContact O-N 2.91Å; W692-A695 CarbonylContact O-C 3.55Å; W692-A695 PolarHBondContact O-N 3.13Å; A695-N698 WeakPolarHBondContact O-CB 3.36Å; A695-S699 PolarHBondContact O-N 2.81Å |
| 696 | K | 60.5 | Low | 53.7 | Low | 40 Ų | 40 | 42.9 Ų | 42.9 | 17% | 0.174 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.3 | -37 | 178.6 | -174 | 67.5 | 176.9 | 176 | 0 | 112 | N634 W692 L693 M694 N698 S699 I700 | N634-K696 PolarHBondContact OD1-NZ 3.47Å; W692-K696 HydrophobicContact CH2-CB 4.49Å; W692-K696 HydrophobicContact CH2-CD 4.49Å; W692-K696 HydrophobicContact CH2-CG 4.03Å; W692-K696 HydrophobicContact CZ2-CD 4.2Å; W692-K696 HydrophobicContact CZ2-CG 4.14Å; W692-K696 HydrophobicContact CZ3-CB 4.5Å; W692-K696 HydrophobicContact CZ3-CG 4.41Å; W692-K696 WeakPolarHBondContact O-CB 3.12Å; W692-K696 PolarHBondContact O-N 3.35Å; L693-K696 PolarHBondContact O-N 3.13Å; M694-K696 VanDerWaalsContact C-N 3.33Å; K696-N698 VanDerWaalsContact C-N 3.31Å; K696-N698 PolarHBondContact O-N 2.67Å; K696-S699 CarbonylContact O-C 3.49Å; K696-S699 WeakPolarHBondContact O-CA 3.33Å; K696-S699 WeakPolarHBondContact O-CB 3.43Å; K696-S699 PolarHBondContact O-N 3.21Å; K696-I700 HydrophobicContact CG-CD1 4.06Å; K696-I700 VanDerWaalsContact O-CG1 3.28Å; K696-I700 WeakPolarHBondContact O-CG1 3.25Å; K696-I700 PolarHBondContact O-N 2.97Å |
| 697 | S | 57.8 | Low | 51.9 | Low | 16 Ų | 16 | 49.8 Ų | 49.8 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 171.7 | 69.6 | 0 | 0 | 0 | 0 | 111.2 | L693 M694 S699 I700 N701 | L693-S697 PolarHBondContact O-N 2.85Å; M694-S697 PolarHBondContact O-OG 2.75Å; S697-S699 VanDerWaalsContact C-N 3.31Å; S697-S699 PolarHBondContact O-N 3.49Å; S697-I700 PolarHBondContact O-N 3.37Å; S697-I700 VanDerWaalsContact O-N 3.15Å; S697-N701 PolarHBondContact O-N 3.01Å |
| 698 | N | 51.8 | Low | 50 | Low | 30 Ų | 30 | 52.6 Ų | 52.6 | 16% | 0.16 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -36.7 | 171 | -121.3 | -19 | 0 | 0 | 0 | 112.4 | M694 A695 K696 N702 | M694-N698 PolarHBondContact O-N 3.2Å; A695-N698 WeakPolarHBondContact O-CB 3.36Å; K696-N698 VanDerWaalsContact C-N 3.31Å; K696-N698 PolarHBondContact O-N 2.67Å; N698-N702 WeakPolarHBondContact O-CB 3.46Å; N698-N702 PolarHBondContact O-N 3.2Å; N698-N702 VanDerWaalsContact O-N 3.17Å; N698-N702 PolarHBondContact O-ND2 3.21Å |
| 699 | S | 51.6 | Low | 48.5 | Very low | 55 Ų | 55 | 52.8 Ų | 52.8 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.2 | -31 | 173 | -171.9 | 0 | 0 | 0 | 0 | 113.3 | A695 K696 S697 G703 | A695-S699 PolarHBondContact O-N 2.81Å; K696-S699 CarbonylContact O-C 3.49Å; K696-S699 WeakPolarHBondContact O-CA 3.33Å; K696-S699 WeakPolarHBondContact O-CB 3.43Å; K696-S699 PolarHBondContact O-N 3.21Å; S697-S699 VanDerWaalsContact C-N 3.31Å; S697-S699 PolarHBondContact O-N 3.49Å; S699-G703 PolarHBondContact O-N 3.43Å; S699-G703 VanDerWaalsContact O-N 3.1Å |
| 700 | I | 50.1 | Low | 46.7 | Very low | 51 Ų | 51 | 58.1 Ų | 58.1 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -75.2 | -45.7 | 177.1 | -70.4 | 162.1 | 0 | 0 | 0 | 109.9 | K696 S697 N702 G703 K704 | K696-I700 HydrophobicContact CG-CD1 4.06Å; K696-I700 VanDerWaalsContact O-CG1 3.28Å; K696-I700 WeakPolarHBondContact O-CG1 3.25Å; K696-I700 PolarHBondContact O-N 2.97Å; S697-I700 PolarHBondContact O-N 3.37Å; S697-I700 VanDerWaalsContact O-N 3.15Å; I700-N702 PolarHBondContact O-N 3.12Å; I700-G703 CarbonylContact O-C 3.53Å; I700-G703 PolarHBondContact O-N 3.07Å; I700-G703 VanDerWaalsContact O-N 3.11Å; I700-K704 PolarHBondContact O-N 3.04Å |
| 701 | N | 47.1 | Very low | 44.8 | Very low | 46 Ų | 46 | 63.4 Ų | 63.4 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 178.3 | -76.3 | -8.7 | 0 | 0 | 0 | 112.6 | S697 | S697-N701 PolarHBondContact O-N 3.01Å |
| 702 | N | 38.6 | Very low | 43.2 | Very low | 99 Ų | 99 | 66.9 Ų | 66.9 | 53% | 0.529 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -77.6 | -20.6 | 173.6 | -71.6 | -68.3 | 0 | 0 | 0 | 113.5 | Q598 N698 I700 | Q598-N702 PolarHBondContact NE2-OD1 3.28Å; N698-N702 WeakPolarHBondContact O-CB 3.46Å; N698-N702 PolarHBondContact O-N 3.2Å; N698-N702 VanDerWaalsContact O-N 3.17Å; N698-N702 PolarHBondContact O-ND2 3.21Å; I700-N702 PolarHBondContact O-N 3.12Å |
| 703 | G | 35.7 | Very low | 41.6 | Very low | 59 Ų | 59 | 71.8 Ų | 71.8 | 61% | 0.608 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -90 | -19.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S699 I700 | S699-G703 PolarHBondContact O-N 3.43Å; S699-G703 VanDerWaalsContact O-N 3.1Å; I700-G703 CarbonylContact O-C 3.53Å; I700-G703 PolarHBondContact O-N 3.07Å; I700-G703 VanDerWaalsContact O-N 3.11Å |
| 704 | K | 31.8 | Very low | 40.2 | Very low | 130 Ų | 130 | 74.8 Ų | 74.8 | 57% | 0.565 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -147.9 | 77.6 | -172.9 | -66.8 | -176.1 | 177.1 | -178.3 | 0 | 113.5 | N634 I700 | N634-K704 PolarHBondContact O-NZ 2.8Å; I700-K704 PolarHBondContact O-N 3.04Å |
| 705 | R | 30.4 | Very low | 38.8 | Very low | 128 Ų | 128 | 82.9 Ų | 82.9 | 48% | 0.483 | 44% | 0.437 | S | S | . | . | trans | -175.3 | 135.9 | 145.4 | -100.8 | 146.3 | -161.1 | -148 | 3.4 | 113.8 | M712 | R705-M712 HydrophobicContact CG-CE 4.24Š| ||
| 706 | R | 26.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 84.4 Ų | 84.4 | 48% | 0.483 | 45% | 0.447 | S | S | . | . | trans | -91.6 | 106.5 | 172.3 | -71.4 | 170.2 | 157.9 | -146.3 | -5.3 | 110.1 | N96 V97 S708 | N96-R706 VanDerWaalsContact C-NH1 3.33Å; N96-R706 PolarHBondContact O-NH1 3.42Å; V97-R706 VanDerWaalsContact CG2-NH2 3.3Å; R706-S708 PolarHBondContact O-N 3.01Å | ||
| 707 | L | 26.9 | Very low | 36.9 | Very low | 147 Ų | 147 | 85.6 Ų | 85.6 | 77% | 0.77 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 34.5 | -168.2 | -137.7 | 122 | 0 | 0 | 0 | 115.4 | ||
| 708 | S | 26 | Very low | 36.1 | Very low | 66 Ų | 66 | 86.5 Ų | 86.5 | 46% | 0.462 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | -9.2 | -179.1 | 60.5 | 0 | 0 | 0 | 0 | 116 | R706 | R706-S708 PolarHBondContact O-N 3.01Š|
| 709 | A | 27.2 | Very low | 35.6 | Very low | 39 Ų | 39 | 87.4 Ų | 87.4 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -154.4 | 83.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N96 | N96-A709 PolarHBondContact ND2-O 3.04Š|
| 710 | I | 29.2 | Very low | 35.4 | Very low | 117 Ų | 117 | 86.2 Ų | 86.2 | 60% | 0.6 | 46% | 0.457 | S | S | * | . | trans | -163.2 | 151.9 | 137.4 | -95.4 | 148.1 | 0 | 0 | 0 | 107 | M712 | I710-M712 VanDerWaalsContact C-N 3.32Å; I710-M712 HydrophobicContact CB-CG 4.41Å; I710-M712 HydrophobicContact CG2-CE 4.46Å; I710-M712 HydrophobicContact CG2-CG 3.68Å; I710-M712 PolarHBondContact O-N 2.72Å | ||
| 711 | S | 27.6 | Very low | 35.4 | Very low | 121 Ų | 121 | 84.4 Ų | 84.4 | 85% | 0.846 | 45% | 0.448 | S | S | * | . | trans | -71.3 | 88.8 | 164.4 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 712 | M | 31.7 | Very low | 35.7 | Very low | 77 Ų | 77 | 87.9 Ų | 87.9 | 38% | 0.379 | 46% | 0.463 | S | S | . | . | trans | -87 | 122.8 | 176.8 | -74.4 | -164.9 | 156.5 | 0 | 0 | 109.9 | R705 I710 I714 | R705-M712 HydrophobicContact CG-CE 4.24Å; I710-M712 VanDerWaalsContact C-N 3.32Å; I710-M712 HydrophobicContact CB-CG 4.41Å; I710-M712 HydrophobicContact CG2-CE 4.46Å; I710-M712 HydrophobicContact CG2-CG 3.68Å; I710-M712 PolarHBondContact O-N 2.72Å; M712-I714 PolarHBondContact O-N 3.13Å; M712-I714 VanDerWaalsContact O-N 3.13Å | ||
| 713 | D | 32.2 | Very low | 36.5 | Very low | 121 Ų | 121 | 85.1 Ų | 85.1 | 65% | 0.647 | 45% | 0.448 | S | S | * | . | trans | -47.8 | 119.2 | 166.4 | -93.4 | -63.6 | 0 | 0 | 0 | 110 | R715 S716 | D713-R715 HydrophobicContact CB-CB 4.44Å; D713-R715 PolarHBondContact O-N 2.81Å; D713-R715 VanDerWaalsContact O-N 3.1Å; D713-S716 WeakPolarHBondContact O-CB 3.39Å; D713-S716 PolarHBondContact O-N 3.09Å; D713-S716 PolarHBondContact O-OG 2.82Å | ||
| 714 | I | 37.5 | Very low | 37.8 | Very low | 67 Ų | 67 | 82.7 Ų | 82.7 | 34% | 0.344 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.4 | 178.1 | -58.7 | 176.1 | 0 | 0 | 0 | 109.8 | M712 S716 Y717 L718 D773 | M712-I714 PolarHBondContact O-N 3.13Å; M712-I714 VanDerWaalsContact O-N 3.13Å; I714-S716 VanDerWaalsContact C-N 3.28Å; I714-S716 PolarHBondContact O-N 2.68Å; I714-Y717 PolarHBondContact O-N 2.87Å; I714-Y717 VanDerWaalsContact O-N 3.07Å; I714-L718 HydrophobicContact CG2-CD1 3.91Å; I714-L718 HydrophobicContact CG2-CG 4.15Å; I714-L718 WeakPolarHBondContact O-CG 3.49Å; I714-L718 PolarHBondContact O-N 2.92Å; I714-D773 HydrophobicContact CD1-CB 4.3Å; I714-D773 WeakPolarHBondContact CD1-OD2 3.4Å |
| 715 | R | 34.2 | Very low | 39.4 | Very low | 195 Ų | 195 | 77.4 Ų | 77.4 | 74% | 0.736 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -50.3 | -42.9 | 168.2 | -75.7 | -177.8 | 173.9 | 168.6 | 0.4 | 113.5 | D713 Y717 L718 T719 | D713-R715 HydrophobicContact CB-CB 4.44Å; D713-R715 PolarHBondContact O-N 2.81Å; D713-R715 VanDerWaalsContact O-N 3.1Å; R715-Y717 PolarHBondContact O-N 3.02Å; R715-L718 PolarHBondContact O-N 3.27Å; R715-T719 PolarHBondContact O-N 3.4Å; R715-T719 VanDerWaalsContact O-N 3.13Å; R715-T719 PolarHBondContact O-OG1 3.04Å |
| 716 | S | 41.1 | Very low | 41.2 | Very low | 40 Ų | 40 | 75.3 Ų | 75.3 | 28% | 0.28 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.7 | -6.1 | -179.3 | 72.2 | 0 | 0 | 0 | 0 | 114.9 | L638 D713 I714 | L638-S716 WeakPolarHBondContact CD2-O 3.14Å; D713-S716 WeakPolarHBondContact O-CB 3.39Å; D713-S716 PolarHBondContact O-N 3.09Å; D713-S716 PolarHBondContact O-OG 2.82Å; I714-S716 VanDerWaalsContact C-N 3.28Å; I714-S716 PolarHBondContact O-N 2.68Å |
| 717 | Y | 41 | Very low | 43.2 | Very low | 66 Ų | 66 | 69.9 Ų | 69.9 | 26% | 0.259 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -106.8 | -20.4 | 165.6 | -111.7 | -84.3 | 0 | 0 | 0 | 112.2 | I714 R715 I721 F763 | I714-Y717 PolarHBondContact O-N 2.87Å; I714-Y717 VanDerWaalsContact O-N 3.07Å; R715-Y717 PolarHBondContact O-N 3.02Å; Y717-I721 HydrophobicContact CD1-CD1 4.5Å; Y717-I721 VanDerWaalsContact O-CD1 3.31Å; Y717-I721 WeakPolarHBondContact O-CD1 3.38Å; Y717-I721 WeakPolarHBondContact O-CG1 3.45Å; Y717-F763 HydrophobicContact CD1-CE2 4.09Å |
| 718 | L | 39.5 | Very low | 45.2 | Very low | 35 Ų | 35 | 62.9 Ų | 62.9 | 18% | 0.183 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -76.7 | -34.8 | 179.1 | -77.8 | 166.6 | 0 | 0 | 0 | 113.3 | I714 R715 I721 Q722 P776 I780 | I714-L718 HydrophobicContact CG2-CD1 3.91Å; I714-L718 HydrophobicContact CG2-CG 4.15Å; I714-L718 WeakPolarHBondContact O-CG 3.49Å; I714-L718 PolarHBondContact O-N 2.92Å; R715-L718 PolarHBondContact O-N 3.27Å; L718-I721 CarbonylContact O-C 3.48Å; L718-I721 WeakPolarHBondContact O-CA 3.34Å; L718-I721 PolarHBondContact O-N 3.42Å; L718-Q722 WeakPolarHBondContact O-CG 3.36Å; L718-Q722 PolarHBondContact O-N 3.3Å; L718-P776 HydrophobicContact CD2-CB 4.32Å; L718-I780 HydrophobicContact CD2-CD1 4.06Å |
| 719 | T | 41.4 | Very low | 47.4 | Very low | 49 Ų | 49 | 62.7 Ų | 62.7 | 30% | 0.301 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -56.8 | -171.1 | 39.3 | 0 | 0 | 0 | 0 | 113.2 | E642 R715 I721 Q722 L723 | E642-T719 WeakPolarHBondContact OE1-CB 3.36Å; E642-T719 PolarHBondContact OE1-OG1 2.84Å; E642-T719 WeakPolarHBondContact OE2-CB 3.43Å; E642-T719 PolarHBondContact OE2-OG1 3.28Å; R715-T719 PolarHBondContact O-N 3.4Å; R715-T719 VanDerWaalsContact O-N 3.13Å; R715-T719 PolarHBondContact O-OG1 3.04Å; T719-I721 PolarHBondContact O-N 3.07Å; T719-Q722 PolarHBondContact O-N 3.4Å; T719-L723 PolarHBondContact O-N 3.42Å |
| 720 | G | 48.2 | Very low | 49.5 | Very low | 29 Ų | 29 | 62.2 Ų | 62.2 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -6.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E642 | E642-G720 WeakPolarHBondContact OE1-CA 3.48Å; E642-G720 PolarHBondContact OE1-N 3.38Å |
| 721 | I | 49.9 | Very low | 51.5 | Low | 14 Ų | 14 | 57.3 Ų | 57.3 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -112.7 | -20.6 | -176.8 | -59.9 | -172.6 | 0 | 0 | 0 | 112.5 | Y717 L718 T719 A724 P725 Y759 F763 | Y717-I721 HydrophobicContact CD1-CD1 4.5Å; Y717-I721 VanDerWaalsContact O-CD1 3.31Å; Y717-I721 WeakPolarHBondContact O-CD1 3.38Å; Y717-I721 WeakPolarHBondContact O-CG1 3.45Å; L718-I721 CarbonylContact O-C 3.48Å; L718-I721 WeakPolarHBondContact O-CA 3.34Å; L718-I721 PolarHBondContact O-N 3.42Å; T719-I721 PolarHBondContact O-N 3.07Å; I721-A724 PolarHBondContact O-N 3.18Å; I721-P725 WeakPolarHBondContact O-CD 3.39Å; I721-Y759 HydrophobicContact CD1-CE1 4.1Å; I721-Y759 HydrophobicContact CG1-CE1 4.1Å; I721-F763 HydrophobicContact CB-CE1 4.49Å; I721-F763 HydrophobicContact CD1-CB 4.28Å; I721-F763 HydrophobicContact CD1-CD1 3.74Å; I721-F763 HydrophobicContact CD1-CD2 3.31Å; I721-F763 HydrophobicContact CD1-CE1 3.76Å; I721-F763 HydrophobicContact CD1-CE2 3.35Å; I721-F763 HydrophobicContact CD1-CG 3.49Å; I721-F763 VanDerWaalsContact CD1-CG 3.49Å; I721-F763 HydrophobicContact CD1-CZ 3.56Å; I721-F763 HydrophobicContact CG2-CD1 3.77Å; I721-F763 HydrophobicContact CG2-CE1 3.65Å; I721-F763 HydrophobicContact CG2-CG 4.5Å; I721-F763 HydrophobicContact CG2-CZ 4.32Å |
| 722 | Q | 52.4 | Low | 53.6 | Low | 119 Ų | 119 | 52.2 Ų | 52.2 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64 | -34.8 | 161 | -74.4 | 177.2 | -29.8 | 0 | 0 | 110.5 | L718 T719 | L718-Q722 WeakPolarHBondContact O-CG 3.36Å; L718-Q722 PolarHBondContact O-N 3.3Å; T719-Q722 PolarHBondContact O-N 3.4Å |
| 723 | L | 57.1 | Low | 55.7 | Low | 41 Ų | 41 | 53.8 Ų | 53.8 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70 | -27.5 | 174.9 | -89.4 | 140.4 | 0 | 0 | 0 | 114.7 | T719 D726 L727 | T719-L723 PolarHBondContact O-N 3.42Å; L723-D726 PolarHBondContact O-N 2.76Å; L723-L727 HydrophobicContact CD2-CD1 4.27Å; L723-L727 WeakPolarHBondContact O-CB 3.43Å; L723-L727 PolarHBondContact O-N 2.97Å |
| 724 | A | 63 | Low | 57.7 | Low | 7 Ų | 7 | 49.2 Ų | 49.2 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.3 | -44.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I721 L727 L728 I756 | I721-A724 PolarHBondContact O-N 3.18Å; A724-L727 PolarHBondContact O-N 3.07Å; A724-L728 PolarHBondContact O-N 2.77Å; A724-I756 HydrophobicContact CB-CG2 4.41Å |
| 725 | P | 65.4 | Low | 59.4 | Low | 19 Ų | 19 | 46.1 Ų | 46.1 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -49.8 | -54.2 | 164.1 | -34 | 40.8 | 0 | 0 | 0 | 113.4 | I721 L727 L728 I729 L787 | I721-P725 WeakPolarHBondContact O-CD 3.39Å; P725-L727 VanDerWaalsContact C-N 3.33Å; P725-L727 PolarHBondContact O-N 2.92Å; P725-L728 PolarHBondContact O-N 2.92Å; P725-L728 VanDerWaalsContact O-N 3.13Å; P725-I729 PolarHBondContact O-N 2.93Å; P725-L787 HydrophobicContact CB-CD1 3.72Å; P725-L787 HydrophobicContact CG-CD1 4.21Å; P725-L787 WeakPolarHBondContact O-CD2 3.44Å |
| 726 | D | 67.2 | Low | 61.3 | Low | 84 Ų | 84 | 43.7 Ų | 43.7 | 45% | 0.449 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.8 | -35.1 | -176.3 | -90.4 | 12.6 | 0 | 0 | 0 | 112.4 | L723 E730 | L723-D726 PolarHBondContact O-N 2.76Å; D726-E730 WeakPolarHBondContact O-CB 3.32Å; D726-E730 PolarHBondContact O-N 3.16Å |
| 727 | L | 67.9 | Low | 62.6 | Low | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.1 | -53.9 | 169.1 | -114.8 | 83.7 | 0 | 0 | 0 | 110.4 | V649 L723 A724 P725 I729 E730 L731 I756 | V649-L727 HydrophobicContact CG1-CD1 4.42Å; V649-L727 HydrophobicContact CG2-CD1 3.75Å; L723-L727 HydrophobicContact CD2-CD1 4.27Å; L723-L727 WeakPolarHBondContact O-CB 3.43Å; L723-L727 PolarHBondContact O-N 2.97Å; A724-L727 PolarHBondContact O-N 3.07Å; P725-L727 VanDerWaalsContact C-N 3.33Å; P725-L727 PolarHBondContact O-N 2.92Å; L727-I729 VanDerWaalsContact C-N 3.26Å; L727-I729 PolarHBondContact O-N 3Å; L727-E730 CarbonylContact O-C 3.53Å; L727-E730 PolarHBondContact O-N 3.23Å; L727-L731 HydrophobicContact CB-CD1 4.45Å; L727-L731 HydrophobicContact CD2-CD1 4.48Å; L727-L731 WeakPolarHBondContact O-CB 3.28Å; L727-L731 WeakPolarHBondContact O-CG 3.26Å; L727-L731 PolarHBondContact O-N 3.16Å; L727-I756 HydrophobicContact CB-CD1 4.14Å; L727-I756 HydrophobicContact CD2-CD1 3.82Å |
| 728 | L | 70 | Confident | 63.3 | Low | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -33.4 | -176 | -161 | 81.2 | 0 | 0 | 0 | 111.8 | A724 P725 T732 C753 I756 L787 C791 | A724-L728 PolarHBondContact O-N 2.77Å; P725-L728 PolarHBondContact O-N 2.92Å; P725-L728 VanDerWaalsContact O-N 3.13Å; L728-T732 WeakPolarHBondContact O-CB 3.28Å; L728-T732 WeakPolarHBondContact O-CG2 3.45Å; L728-T732 PolarHBondContact O-N 2.84Å; L728-T732 PolarHBondContact O-OG1 2.88Å; L728-C753 HydrophobicContact CD1-CB 4.09Å; L728-I756 HydrophobicContact CB-CG2 4.24Å; L728-I756 HydrophobicContact CD1-CB 4.09Å; L728-I756 HydrophobicContact CD1-CG2 3.98Å; L728-L787 HydrophobicContact CB-CD2 3.83Å; L728-L787 HydrophobicContact CD2-CB 4.08Å; L728-L787 HydrophobicContact CD2-CD2 3.88Å; L728-L787 HydrophobicContact CG-CD2 4.34Å; L728-C791 HydrophobicContact CD2-CB 4.37Å |
| 729 | I | 72.8 | Confident | 64.1 | Low | 61 Ų | 61 | 45.9 Ų | 45.9 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 169.5 | -76.9 | 156.5 | 0 | 0 | 0 | 111.3 | P725 L727 T732 K733 L787 | P725-I729 PolarHBondContact O-N 2.93Å; L727-I729 VanDerWaalsContact C-N 3.26Å; L727-I729 PolarHBondContact O-N 3Å; I729-T732 WeakPolarHBondContact CA-OG1 3.34Å; I729-T732 PolarHBondContact O-OG1 3.23Å; I729-T732 VanDerWaalsContact O-OG1 3.06Å; I729-K733 HydrophobicContact CG2-CD 4.15Å; I729-K733 VanDerWaalsContact CG2-CE 3.47Å; I729-K733 WeakPolarHBondContact O-CB 3.36Å; I729-K733 VanDerWaalsContact O-CG 3.24Å; I729-K733 WeakPolarHBondContact O-CG 3.11Å; I729-K733 PolarHBondContact O-N 3.42Å; I729-L787 HydrophobicContact CD1-CD2 4Å; I729-L787 HydrophobicContact CG1-CD2 3.69Å |
| 730 | E | 69.4 | Low | 65.1 | Low | 29 Ų | 29 | 47.3 Ų | 47.3 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.4 | -35.6 | 180 | -163 | 55.8 | -140.5 | 0 | 0 | 112.3 | R653 D726 L727 K733 Q734 | R653-E730 HydrophobicContact CG-CG 4.34Å; D726-E730 WeakPolarHBondContact O-CB 3.32Å; D726-E730 PolarHBondContact O-N 3.16Å; L727-E730 CarbonylContact O-C 3.53Å; L727-E730 PolarHBondContact O-N 3.23Å; E730-K733 WeakPolarHBondContact O-CB 3.4Å; E730-K733 PolarHBondContact O-N 2.95Å; E730-K733 WeakPolarHBondContact OE2-CD 3.46Å; E730-K733 IonicContact OE2-NZ 3.67Å; E730-K733 PolarHBondContact OE2-NZ 3.26Å; E730-Q734 WeakPolarHBondContact O-CG 3.25Å; E730-Q734 PolarHBondContact O-N 2.95Å |
| 731 | L | 71.7 | Confident | 66.1 | Low | 14 Ų | 14 | 47.3 Ų | 47.3 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -42.5 | 175.2 | -65.5 | 169.4 | 0 | 0 | 0 | 111.6 | L727 Q734 L735 L749 L752 I756 | L727-L731 HydrophobicContact CB-CD1 4.45Å; L727-L731 HydrophobicContact CD2-CD1 4.48Å; L727-L731 WeakPolarHBondContact O-CB 3.28Å; L727-L731 WeakPolarHBondContact O-CG 3.26Å; L727-L731 PolarHBondContact O-N 3.16Å; L731-Q734 PolarHBondContact O-N 3.41Å; L731-L735 WeakPolarHBondContact O-CB 3.41Å; L731-L735 WeakPolarHBondContact O-CG 3.15Å; L731-L735 PolarHBondContact O-N 3.41Å; L731-L749 HydrophobicContact CD2-CD2 3.32Å; L731-L752 HydrophobicContact CD1-CB 4.39Å; L731-L752 HydrophobicContact CD1-CD2 3.84Å; L731-L752 HydrophobicContact CD1-CG 3.75Å; L731-L752 HydrophobicContact CD2-CD2 3.75Å; L731-L752 HydrophobicContact CD2-CG 4.45Å; L731-L752 HydrophobicContact CG-CD2 4.46Å; L731-I756 HydrophobicContact CD1-CD1 3.33Å |
| 732 | T | 72.7 | Confident | 67.2 | Low | 14 Ų | 14 | 49.3 Ų | 49.3 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.7 | -36.5 | 174.1 | 48.8 | 0 | 0 | 0 | 0 | 112 | L728 I729 R736 C791 | L728-T732 WeakPolarHBondContact O-CB 3.28Å; L728-T732 WeakPolarHBondContact O-CG2 3.45Å; L728-T732 PolarHBondContact O-N 2.84Å; L728-T732 PolarHBondContact O-OG1 2.88Å; I729-T732 WeakPolarHBondContact CA-OG1 3.34Å; I729-T732 PolarHBondContact O-OG1 3.23Å; I729-T732 VanDerWaalsContact O-OG1 3.06Å; T732-R736 VanDerWaalsContact O-CB 3.22Å; T732-R736 WeakPolarHBondContact O-CB 3.19Å; T732-R736 PolarHBondContact O-N 2.76Å; T732-C791 HydrophobicContact CG2-CB 4.14Å |
| 733 | K | 75.9 | Confident | 68.3 | Low | 110 Ų | 110 | 46.3 Ų | 46.3 | 48% | 0.478 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 168.4 | -74 | 167.5 | -175.1 | 167.5 | 0 | 112.1 | I729 E730 R736 S737 | I729-K733 HydrophobicContact CG2-CD 4.15Å; I729-K733 VanDerWaalsContact CG2-CE 3.47Å; I729-K733 WeakPolarHBondContact O-CB 3.36Å; I729-K733 VanDerWaalsContact O-CG 3.24Å; I729-K733 WeakPolarHBondContact O-CG 3.11Å; I729-K733 PolarHBondContact O-N 3.42Å; E730-K733 WeakPolarHBondContact O-CB 3.4Å; E730-K733 PolarHBondContact O-N 2.95Å; E730-K733 WeakPolarHBondContact OE2-CD 3.46Å; E730-K733 IonicContact OE2-NZ 3.67Å; E730-K733 PolarHBondContact OE2-NZ 3.26Å; K733-R736 PolarHBondContact O-N 3.33Å; K733-S737 PolarHBondContact O-N 2.96Å |
| 734 | Q | 73.2 | Confident | 69 | Low | 26 Ų | 26 | 49.1 Ų | 49.1 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 179.2 | -71.6 | -164.5 | 23.2 | 0 | 0 | 112.2 | F652 E730 L731 S737 L741 L749 | F652-Q734 PolarHBondContact O-NE2 3.38Å; E730-Q734 WeakPolarHBondContact O-CG 3.25Å; E730-Q734 PolarHBondContact O-N 2.95Å; L731-Q734 PolarHBondContact O-N 3.41Å; Q734-S737 WeakPolarHBondContact O-CB 3.35Å; Q734-S737 PolarHBondContact O-N 3.44Å; Q734-S737 PolarHBondContact O-OG 3.23Å; Q734-L741 HydrophobicContact CB-CD2 4.3Å; Q734-L749 HydrophobicContact CB-CD1 4.1Å |
| 735 | L | 73.2 | Confident | 69.5 | Low | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 173.8 | -78.6 | 174.6 | 0 | 0 | 0 | 112.6 | L731 S737 G738 R746 L749 V794 I798 | L731-L735 WeakPolarHBondContact O-CB 3.41Å; L731-L735 WeakPolarHBondContact O-CG 3.15Å; L731-L735 PolarHBondContact O-N 3.41Å; L735-S737 PolarHBondContact O-N 3.43Å; L735-G738 PolarHBondContact O-N 2.84Å; L735-R746 HydrophobicContact CD2-CB 4.36Å; L735-R746 PolarHBondContact O-NH2 3.36Å; L735-L749 HydrophobicContact CD1-CB 4.33Å; L735-L749 HydrophobicContact CD2-CB 3.57Å; L735-L749 HydrophobicContact CD2-CD1 4.1Å; L735-L749 HydrophobicContact CG-CB 3.86Å; L735-L749 HydrophobicContact CG-CD1 4.3Å; L735-V794 HydrophobicContact CB-CG1 3.56Å; L735-V794 HydrophobicContact CD1-CG1 4.38Å; L735-I798 HydrophobicContact CB-CD1 4.24Å; L735-I798 HydrophobicContact CD1-CD1 4.42Å; L735-I798 HydrophobicContact CD2-CD1 3.94Å; L735-I798 HydrophobicContact CG-CD1 4.44Å |
| 736 | R | 74.5 | Confident | 70.2 | Confident | 144 Ų | 144 | 48.5 Ų | 48.5 | 54% | 0.543 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.3 | -19.2 | 175.3 | 179.6 | 168.1 | -86.9 | 173 | -1.1 | 113.3 | T732 K733 G738 V794 D797 | T732-R736 VanDerWaalsContact O-CB 3.22Å; T732-R736 WeakPolarHBondContact O-CB 3.19Å; T732-R736 PolarHBondContact O-N 2.76Å; K733-R736 PolarHBondContact O-N 3.33Å; R736-G738 PolarHBondContact O-N 3Å; R736-G738 VanDerWaalsContact O-N 3.12Å; R736-V794 HydrophobicContact CB-CG2 4.16Å; R736-D797 IonicContact NH2-OD2 2.72Å |
| 737 | S | 67.4 | Low | 70.7 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 32% | 0.322 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -5.5 | 177 | 77.4 | 0 | 0 | 0 | 0 | 114.9 | K733 Q734 L735 S739 L741 | K733-S737 PolarHBondContact O-N 2.96Å; Q734-S737 WeakPolarHBondContact O-CB 3.35Å; Q734-S737 PolarHBondContact O-N 3.44Å; Q734-S737 PolarHBondContact O-OG 3.23Å; L735-S737 PolarHBondContact O-N 3.43Å; S737-S739 VanDerWaalsContact C-N 3.25Å; S737-S739 PolarHBondContact O-N 2.95Å; S737-L741 WeakPolarHBondContact OG-CD1 3.42Å |
| 738 | G | 56.3 | Low | 71 | Confident | 27 Ų | 27 | 45.1 Ų | 45.1 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | -26.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | L735 R736 | L735-G738 PolarHBondContact O-N 2.84Å; R736-G738 PolarHBondContact O-N 3Å; R736-G738 VanDerWaalsContact O-N 3.12Å |
| 739 | S | 56.8 | Low | 71.5 | Confident | 113 Ų | 113 | 45.1 Ų | 45.1 | 79% | 0.79 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.8 | -26.7 | -173.1 | 59.9 | 0 | 0 | 0 | 0 | 114.5 | S737 | S737-S739 VanDerWaalsContact C-N 3.25Å; S737-S739 PolarHBondContact O-N 2.95Å |
| 740 | A | 62.6 | Low | 71.9 | Confident | 80 Ų | 80 | 42.2 Ų | 42.2 | 66% | 0.661 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -83.1 | -16.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 741 | L | 67.8 | Low | 72.3 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -102.2 | 132.9 | -176.2 | -82.5 | 72.2 | 0 | 0 | 0 | 111.6 | Q734 S737 V745 R746 L749 | Q734-L741 HydrophobicContact CB-CD2 4.3Å; S737-L741 WeakPolarHBondContact OG-CD1 3.42Å; L741-V745 HydrophobicContact CD2-CG1 3.96Å; L741-R746 HydrophobicContact CB-CG 3.86Å; L741-L749 HydrophobicContact CD2-CD1 3.42Å; L741-L749 VanDerWaalsContact CD2-CD1 3.42Å |
| 742 | P | 72.9 | Confident | 72.5 | Confident | 56 Ų | 56 | 44 Ų | 44 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | trans | -57.1 | 144.8 | 171.3 | -22.4 | 32.2 | 0 | 0 | 0 | 112 | D744 V745 R746 | P742-D744 PolarHBondContact O-N 3.28Å; P742-D744 VanDerWaalsContact O-N 3.14Å; P742-V745 HydrophobicContact CB-CG2 4.19Å; P742-V745 HydrophobicContact CG-CG2 4.18Å; P742-V745 WeakPolarHBondContact O-CA 3.49Å; P742-V745 WeakPolarHBondContact O-CB 3.48Å; P742-V745 PolarHBondContact O-N 3.28Å; P742-R746 PolarHBondContact O-N 3.03Å | ||
| 743 | N | 77 | Confident | 72.9 | Confident | 56 Ų | 56 | 43.3 Ų | 43.3 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -57.7 | -31.3 | -177 | -81.3 | -18.7 | 0 | 0 | 0 | 113.5 | R746 T747 R805 G807 L810 | N743-R746 PolarHBondContact O-N 3.35Å; N743-T747 WeakPolarHBondContact O-CB 3.4Å; N743-T747 PolarHBondContact O-N 3.27Å; N743-T747 PolarHBondContact O-OG1 2.9Å; N743-R805 PolarHBondContact ND2-O 2.81Å; N743-G807 PolarHBondContact ND2-N 3.45Å; N743-L810 WeakPolarHBondContact OD1-CD2 3.4Å |
| 744 | D | 72.3 | Confident | 72.9 | Confident | 101 Ų | 101 | 38.3 Ų | 38.3 | 54% | 0.54 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 174 | -54.3 | -71.5 | 0 | 0 | 0 | 112.4 | P742 T747 G748 | P742-D744 PolarHBondContact O-N 3.28Å; P742-D744 VanDerWaalsContact O-N 3.14Å; D744-T747 WeakPolarHBondContact O-CB 3.26Å; D744-T747 PolarHBondContact O-N 2.89Å; D744-G748 PolarHBondContact O-N 2.73Å |
| 745 | V | 73.4 | Confident | 73 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.6 | -46.7 | 174.7 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | T684 L687 L741 P742 T747 G748 L749 | T684-V745 HydrophobicContact CG2-CG2 3.8Å; L687-V745 HydrophobicContact CD2-CG1 3.96Å; L687-V745 WeakPolarHBondContact CD2-O 3.28Å; L741-V745 HydrophobicContact CD2-CG1 3.96Å; P742-V745 HydrophobicContact CB-CG2 4.19Å; P742-V745 HydrophobicContact CG-CG2 4.18Å; P742-V745 WeakPolarHBondContact O-CA 3.49Å; P742-V745 WeakPolarHBondContact O-CB 3.48Å; P742-V745 PolarHBondContact O-N 3.28Å; V745-T747 PolarHBondContact O-N 3.43Å; V745-G748 PolarHBondContact O-N 2.83Å; V745-G748 VanDerWaalsContact O-N 3.13Å; V745-L749 HydrophobicContact CG1-CD1 4.38Å; V745-L749 WeakPolarHBondContact O-CG 3.3Å; V745-L749 PolarHBondContact O-N 2.89Å |
| 746 | R | 78.9 | Confident | 73.1 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.3 | -37.2 | 174.1 | -58.5 | -177.6 | 78.8 | -161.9 | 6.6 | 111.9 | L735 L741 P742 N743 L749 C750 E801 L810 | L735-R746 HydrophobicContact CD2-CB 4.36Å; L735-R746 PolarHBondContact O-NH2 3.36Å; L741-R746 HydrophobicContact CB-CG 3.86Å; P742-R746 PolarHBondContact O-N 3.03Å; N743-R746 PolarHBondContact O-N 3.35Å; R746-L749 PolarHBondContact O-N 3.46Å; R746-C750 PolarHBondContact O-N 2.75Å; R746-C750 PolarHBondContact O-SG 3.14Å; R746-E801 IonicContact CZ-OE1 3.66Å; R746-E801 IonicContact CZ-OE2 3.6Å; R746-E801 IonicContact NH1-OE1 2.98Å; R746-E801 PolarHBondContact NH1-OE1 2.88Å; R746-E801 IonicContact NH1-OE2 2.73Å; R746-E801 PolarHBondContact NH1-OE2 2.8Å; R746-E801 IonicContact NH2-OE1 2.68Å; R746-E801 PolarHBondContact NH2-OE1 3.49Å; R746-E801 IonicContact NH2-OE2 3.52Å; R746-L810 HydrophobicContact CB-CD1 3.57Å; R746-L810 HydrophobicContact CB-CD2 3.84Å; R746-L810 HydrophobicContact CB-CG 4.36Å |
| 747 | T | 79 | Confident | 73.1 | Confident | 18 Ų | 18 | 30.8 Ų | 30.8 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 178 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | N743 D744 V745 R751 L810 A813 | N743-T747 WeakPolarHBondContact O-CB 3.4Å; N743-T747 PolarHBondContact O-N 3.27Å; N743-T747 PolarHBondContact O-OG1 2.9Å; D744-T747 WeakPolarHBondContact O-CB 3.26Å; D744-T747 PolarHBondContact O-N 2.89Å; V745-T747 PolarHBondContact O-N 3.43Å; T747-R751 PolarHBondContact O-N 3.21Å; T747-L810 WeakPolarHBondContact OG1-CA 3.31Å; T747-A813 HydrophobicContact CG2-CB 3.71Å |
| 748 | G | 73.3 | Confident | 73.3 | Confident | 10 Ų | 10 | 31.3 Ų | 31.3 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68 | -39.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.2 | D744 V745 C750 R751 L752 | D744-G748 PolarHBondContact O-N 2.73Å; V745-G748 PolarHBondContact O-N 2.83Å; V745-G748 VanDerWaalsContact O-N 3.13Å; G748-C750 VanDerWaalsContact C-N 3.35Å; G748-C750 PolarHBondContact O-N 2.99Å; G748-R751 PolarHBondContact O-N 2.6Å; G748-L752 PolarHBondContact O-N 3.41Å |
| 749 | L | 80.5 | Confident | 74 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 176.6 | -69.4 | 172.9 | 0 | 0 | 0 | 111.9 | L687 L731 Q734 L735 L741 V745 R746 R751 L752 C753 | L687-L749 HydrophobicContact CD1-CD2 4.04Å; L687-L749 HydrophobicContact CD2-CD2 4.49Å; L687-L749 HydrophobicContact CD2-CG 4.29Å; L731-L749 HydrophobicContact CD2-CD2 3.32Å; Q734-L749 HydrophobicContact CB-CD1 4.1Å; L735-L749 HydrophobicContact CD1-CB 4.33Å; L735-L749 HydrophobicContact CD2-CB 3.57Å; L735-L749 HydrophobicContact CD2-CD1 4.1Å; L735-L749 HydrophobicContact CG-CB 3.86Å; L735-L749 HydrophobicContact CG-CD1 4.3Å; L741-L749 HydrophobicContact CD2-CD1 3.42Å; L741-L749 VanDerWaalsContact CD2-CD1 3.42Å; V745-L749 HydrophobicContact CG1-CD1 4.38Å; V745-L749 WeakPolarHBondContact O-CG 3.3Å; V745-L749 PolarHBondContact O-N 2.89Å; R746-L749 PolarHBondContact O-N 3.46Å; L749-R751 PolarHBondContact O-N 3.1Å; L749-L752 PolarHBondContact O-N 2.83Å; L749-C753 PolarHBondContact O-N 3.47Å; L749-C753 PolarHBondContact O-SG 3.14Å |
| 750 | C | 82 | Confident | 74.6 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 174.5 | -64.7 | 0 | 0 | 0 | 0 | 111.8 | R746 G748 L752 C753 S754 A813 A817 | R746-C750 PolarHBondContact O-N 2.75Å; R746-C750 PolarHBondContact O-SG 3.14Å; G748-C750 VanDerWaalsContact C-N 3.35Å; G748-C750 PolarHBondContact O-N 2.99Å; C750-L752 VanDerWaalsContact C-N 3.35Å; C750-L752 PolarHBondContact O-N 2.7Å; C750-C753 WeakPolarHBondContact O-CB 3.33Å; C750-C753 PolarHBondContact O-N 3.21Å; C750-S754 PolarHBondContact O-N 3.17Å; C750-A813 HydrophobicContact CB-CB 4.21Å; C750-A817 HydrophobicContact CB-CB 4.42Å |
| 751 | R | 76.6 | Confident | 74.9 | Confident | 79 Ų | 79 | 23.4 Ų | 23.4 | 30% | 0.298 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 177.2 | -70.5 | 178.5 | 179.2 | -137.8 | -4.6 | 112.7 | Y609 W612 T747 G748 L749 C753 S754 L755 | Y609-R751 HydrophobicContact CE1-CB 4.26Å; Y609-R751 WeakPolarHBondContact OH-CB 3.13Å; Y609-R751 PolarHBondContact OH-O 2.9Å; W612-R751 VanDerWaalsContact CH2-NH1 3.27Å; W612-R751 HydrophobicContact CZ3-CB 4.41Å; T747-R751 PolarHBondContact O-N 3.21Å; G748-R751 PolarHBondContact O-N 2.6Å; L749-R751 PolarHBondContact O-N 3.1Å; R751-C753 VanDerWaalsContact C-N 3.33Å; R751-S754 WeakPolarHBondContact O-CB 3.5Å; R751-S754 PolarHBondContact O-N 3.09Å; R751-L755 PolarHBondContact O-N 3.26Å |
| 752 | L | 76.7 | Confident | 74.9 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.4 | -35 | 176.3 | -172.8 | 55.6 | 0 | 0 | 0 | 111.7 | L687 I691 M694 L731 G748 L749 C750 L755 I756 | L687-L752 HydrophobicContact CD1-CD2 4.22Å; I691-L752 HydrophobicContact CG1-CB 4.25Å; I691-L752 HydrophobicContact CG1-CD1 4.13Å; I691-L752 HydrophobicContact CG1-CD2 4.41Å; I691-L752 HydrophobicContact CG1-CG 4.49Å; M694-L752 HydrophobicContact CG-CD1 4.38Å; L731-L752 HydrophobicContact CD1-CB 4.39Å; L731-L752 HydrophobicContact CD1-CD2 3.84Å; L731-L752 HydrophobicContact CD1-CG 3.75Å; L731-L752 HydrophobicContact CD2-CD2 3.75Å; L731-L752 HydrophobicContact CD2-CG 4.45Å; L731-L752 HydrophobicContact CG-CD2 4.46Å; G748-L752 PolarHBondContact O-N 3.41Å; L749-L752 PolarHBondContact O-N 2.83Å; C750-L752 VanDerWaalsContact C-N 3.35Å; C750-L752 PolarHBondContact O-N 2.7Å; L752-L755 PolarHBondContact O-N 2.81Å; L752-I756 HydrophobicContact CD1-CD1 4.07Å; L752-I756 HydrophobicContact CD1-CG1 4.39Å; L752-I756 HydrophobicContact CG-CD1 3.9Å; L752-I756 WeakPolarHBondContact O-CD1 3.33Å; L752-I756 WeakPolarHBondContact O-CG1 3.45Å; L752-I756 PolarHBondContact O-N 3.5Å |
| 753 | C | 80.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 172.9 | -64 | 0 | 0 | 0 | 0 | 112.4 | L728 L749 C750 R751 S757 | L728-C753 HydrophobicContact CD1-CB 4.09Å; L749-C753 PolarHBondContact O-N 3.47Å; L749-C753 PolarHBondContact O-SG 3.14Å; C750-C753 WeakPolarHBondContact O-CB 3.33Å; C750-C753 PolarHBondContact O-N 3.21Å; R751-C753 VanDerWaalsContact C-N 3.33Å; C753-S757 VanDerWaalsContact O-CB 3.3Å; C753-S757 WeakPolarHBondContact O-CB 3.39Å; C753-S757 PolarHBondContact O-N 3.47Å; C753-S757 PolarHBondContact O-OG 3.28Å |
| 754 | S | 77 | Confident | 73.9 | Confident | 5 Ų | 5 | 20.2 Ų | 20.2 | 4% | 0.035 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.2 | -50.2 | 171.8 | -61 | 0 | 0 | 0 | 0 | 112.2 | C750 R751 I756 S757 Y758 A817 E820 | C750-S754 PolarHBondContact O-N 3.17Å; R751-S754 WeakPolarHBondContact O-CB 3.5Å; R751-S754 PolarHBondContact O-N 3.09Å; S754-I756 VanDerWaalsContact C-N 3.35Å; S754-I756 PolarHBondContact O-N 2.84Å; S754-S757 WeakPolarHBondContact O-CB 3.34Å; S754-S757 PolarHBondContact O-N 3.14Å; S754-Y758 PolarHBondContact O-N 3.04Å; S754-A817 WeakPolarHBondContact OG-CA 3.24Å; S754-A817 WeakPolarHBondContact OG-CB 3.5Å; S754-E820 WeakPolarHBondContact CB-OE2 3.5Å; S754-E820 PolarHBondContact OG-OE2 3.13Å |
| 755 | L | 74 | Confident | 73.5 | Confident | 13 Ų | 13 | 15.7 Ų | 15.7 | 7% | 0.068 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.9 | -39 | -173.9 | -171.4 | 149.3 | 0 | 0 | 0 | 111.8 | Y609 M694 R751 L752 Y759 | Y609-L755 HydrophobicContact CD1-CD1 3.68Å; Y609-L755 HydrophobicContact CE1-CD1 4.11Å; Y609-L755 HydrophobicContact CG-CD1 3.96Å; M694-L755 HydrophobicContact CB-CD2 4.06Å; R751-L755 PolarHBondContact O-N 3.26Å; L752-L755 PolarHBondContact O-N 2.81Å; L755-Y759 WeakPolarHBondContact O-CB 3.29Å; L755-Y759 PolarHBondContact O-N 3.09Å; L755-Y759 VanDerWaalsContact O-N 3.07Å |
| 756 | I | 75 | Confident | 72.9 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -70.9 | -39.8 | 175.3 | -65.2 | 160.2 | 0 | 0 | 0 | 111.2 | M694 A724 L727 L728 L731 L752 S754 Y758 Y759 I760 | M694-I756 HydrophobicContact CE-CG1 4.33Å; A724-I756 HydrophobicContact CB-CG2 4.41Å; L727-I756 HydrophobicContact CB-CD1 4.14Å; L727-I756 HydrophobicContact CD2-CD1 3.82Å; L728-I756 HydrophobicContact CB-CG2 4.24Å; L728-I756 HydrophobicContact CD1-CB 4.09Å; L728-I756 HydrophobicContact CD1-CG2 3.98Å; L731-I756 HydrophobicContact CD1-CD1 3.33Å; L752-I756 HydrophobicContact CD1-CD1 4.07Å; L752-I756 HydrophobicContact CD1-CG1 4.39Å; L752-I756 HydrophobicContact CG-CD1 3.9Å; L752-I756 WeakPolarHBondContact O-CD1 3.33Å; L752-I756 WeakPolarHBondContact O-CG1 3.45Å; L752-I756 PolarHBondContact O-N 3.5Å; S754-I756 VanDerWaalsContact C-N 3.35Å; S754-I756 PolarHBondContact O-N 2.84Å; I756-Y758 VanDerWaalsContact C-N 3.32Å; I756-Y758 PolarHBondContact O-N 3.2Å; I756-Y759 PolarHBondContact O-N 2.95Å; I756-Y759 VanDerWaalsContact O-N 3.14Å; I756-I760 HydrophobicContact CG2-CD1 3.82Å; I756-I760 HydrophobicContact CG2-CG1 4.31Å; I756-I760 WeakPolarHBondContact O-CG1 3.27Å; I756-I760 PolarHBondContact O-N 3.14Å |
| 757 | S | 75.7 | Confident | 71.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.7 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | C753 S754 A761 | C753-S757 VanDerWaalsContact O-CB 3.3Å; C753-S757 WeakPolarHBondContact O-CB 3.39Å; C753-S757 PolarHBondContact O-N 3.47Å; C753-S757 PolarHBondContact O-OG 3.28Å; S754-S757 WeakPolarHBondContact O-CB 3.34Å; S754-S757 PolarHBondContact O-N 3.14Å; S757-A761 PolarHBondContact O-N 2.77Å; S757-A761 VanDerWaalsContact O-N 3.13Å |
| 758 | Y | 72.2 | Confident | 70.6 | Confident | 57 Ų | 57 | 21 Ų | 21 | 22% | 0.224 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64 | -41.9 | 173.3 | 179 | -108.4 | 0 | 0 | 0 | 112.4 | L606 S754 I756 A761 L762 | L606-Y758 HydrophobicContact CD1-CE1 4.05Å; S754-Y758 PolarHBondContact O-N 3.04Å; I756-Y758 VanDerWaalsContact C-N 3.32Å; I756-Y758 PolarHBondContact O-N 3.2Å; Y758-A761 PolarHBondContact O-N 3.5Å; Y758-L762 HydrophobicContact CD1-CD1 4.12Å; Y758-L762 HydrophobicContact CE1-CD1 3.48Å; Y758-L762 VanDerWaalsContact CE1-CD1 3.48Å; Y758-L762 HydrophobicContact CE2-CD1 4.32Å; Y758-L762 PolarHBondContact O-N 3.45Å |
| 759 | Y | 69.3 | Low | 69.5 | Low | 43 Ų | 43 | 25.7 Ų | 25.7 | 17% | 0.169 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 178.6 | -163.3 | -96.4 | 0 | 0 | 0 | 112.6 | I721 L755 I756 L762 F763 | I721-Y759 HydrophobicContact CD1-CE1 4.1Å; I721-Y759 HydrophobicContact CG1-CE1 4.1Å; L755-Y759 WeakPolarHBondContact O-CB 3.29Å; L755-Y759 PolarHBondContact O-N 3.09Å; L755-Y759 VanDerWaalsContact O-N 3.07Å; I756-Y759 PolarHBondContact O-N 2.95Å; I756-Y759 VanDerWaalsContact O-N 3.14Å; Y759-L762 PolarHBondContact O-N 2.73Å; Y759-F763 WeakPolarHBondContact O-CB 3.48Å; Y759-F763 PolarHBondContact O-N 3.38Å |
| 760 | I | 70.3 | Confident | 67.6 | Low | 11 Ų | 11 | 29.6 Ų | 29.6 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.5 | -68.2 | 167.9 | 0 | 0 | 0 | 110.6 | I756 F763 L764 T784 F788 | I756-I760 HydrophobicContact CG2-CD1 3.82Å; I756-I760 HydrophobicContact CG2-CG1 4.31Å; I756-I760 WeakPolarHBondContact O-CG1 3.27Å; I756-I760 PolarHBondContact O-N 3.14Å; I760-F763 PolarHBondContact O-N 3.21Å; I760-L764 HydrophobicContact CG2-CD1 3.9Å; I760-L764 WeakPolarHBondContact O-CG 3.42Å; I760-L764 PolarHBondContact O-N 2.86Å; I760-L764 VanDerWaalsContact O-N 3.07Å; I760-T784 HydrophobicContact CG2-CG2 3.87Å; I760-F788 HydrophobicContact CB-CZ 4.15Å; I760-F788 HydrophobicContact CG2-CE2 3.99Å; I760-F788 HydrophobicContact CG2-CZ 3.76Å |
| 761 | A | 68.4 | Low | 65.8 | Low | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -45.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S757 Y758 I765 C824 L828 | S757-A761 PolarHBondContact O-N 2.77Å; S757-A761 VanDerWaalsContact O-N 3.13Å; Y758-A761 PolarHBondContact O-N 3.5Å; A761-I765 WeakPolarHBondContact O-CB 3.4Å; A761-I765 WeakPolarHBondContact O-CD1 3.45Å; A761-I765 WeakPolarHBondContact O-CG1 3.43Å; A761-I765 PolarHBondContact O-N 3.44Å; A761-C824 HydrophobicContact CB-CB 4.03Å; A761-L828 HydrophobicContact CB-CD1 4.24Å; A761-L828 HydrophobicContact CB-CG 4.31Å |
| 762 | L | 68 | Low | 64.3 | Low | 48 Ų | 48 | 36 Ų | 36 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.8 | -46 | 175.2 | -106.9 | 168.9 | 0 | 0 | 0 | 112.3 | Y758 Y759 I765 Q766 | Y758-L762 HydrophobicContact CD1-CD1 4.12Å; Y758-L762 HydrophobicContact CE1-CD1 3.48Å; Y758-L762 VanDerWaalsContact CE1-CD1 3.48Å; Y758-L762 HydrophobicContact CE2-CD1 4.32Å; Y758-L762 PolarHBondContact O-N 3.45Å; Y759-L762 PolarHBondContact O-N 2.73Å; L762-I765 WeakPolarHBondContact O-CB 3.41Å; L762-I765 PolarHBondContact O-N 3.47Å; L762-Q766 WeakPolarHBondContact O-CG 3.19Å; L762-Q766 PolarHBondContact O-N 3.18Å |
| 763 | F | 64.5 | Low | 62.6 | Low | 15 Ų | 15 | 40 Ų | 40 | 7% | 0.066 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68 | -42.3 | -176.3 | 178.8 | -111.1 | 0 | 0 | 0 | 113 | Y717 I721 Y759 I760 I765 Q766 L767 I780 | Y717-F763 HydrophobicContact CD1-CE2 4.09Å; I721-F763 HydrophobicContact CB-CE1 4.49Å; I721-F763 HydrophobicContact CD1-CB 4.28Å; I721-F763 HydrophobicContact CD1-CD1 3.74Å; I721-F763 HydrophobicContact CD1-CD2 3.31Å; I721-F763 HydrophobicContact CD1-CE1 3.76Å; I721-F763 HydrophobicContact CD1-CE2 3.35Å; I721-F763 HydrophobicContact CD1-CG 3.49Å; I721-F763 VanDerWaalsContact CD1-CG 3.49Å; I721-F763 HydrophobicContact CD1-CZ 3.56Å; I721-F763 HydrophobicContact CG2-CD1 3.77Å; I721-F763 HydrophobicContact CG2-CE1 3.65Å; I721-F763 HydrophobicContact CG2-CG 4.5Å; I721-F763 HydrophobicContact CG2-CZ 4.32Å; Y759-F763 WeakPolarHBondContact O-CB 3.48Å; Y759-F763 PolarHBondContact O-N 3.38Å; I760-F763 PolarHBondContact O-N 3.21Å; F763-I765 PolarHBondContact O-N 3.22Å; F763-Q766 PolarHBondContact O-N 3.09Å; F763-L767 HydrophobicContact CD1-CD1 4.02Å; F763-L767 HydrophobicContact CD1-CG 4.29Å; F763-L767 HydrophobicContact CD2-CG 4.48Å; F763-L767 HydrophobicContact CE1-CD1 3.27Å; F763-L767 HydrophobicContact CE1-CD2 4.47Å; F763-L767 HydrophobicContact CE1-CG 3.63Å; F763-L767 HydrophobicContact CE2-CD1 4.41Å; F763-L767 HydrophobicContact CE2-CD2 4.33Å; F763-L767 HydrophobicContact CE2-CG 3.85Å; F763-L767 HydrophobicContact CZ-CD1 3.52Å; F763-L767 HydrophobicContact CZ-CD2 3.86Å; F763-L767 HydrophobicContact CZ-CG 3.4Å; F763-L767 PolarHBondContact O-N 3.09Å; F763-I780 HydrophobicContact CE1-CD1 3.93Å |
| 764 | L | 64.7 | Low | 61 | Low | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -32.8 | 175.9 | -72.8 | 172 | 0 | 0 | 0 | 112.1 | I760 I780 T784 L828 Y831 | I760-L764 HydrophobicContact CG2-CD1 3.9Å; I760-L764 WeakPolarHBondContact O-CG 3.42Å; I760-L764 PolarHBondContact O-N 2.86Å; I760-L764 VanDerWaalsContact O-N 3.07Å; L764-I780 HydrophobicContact CD2-CG2 3.91Å; L764-T784 HydrophobicContact CD1-CG2 4.41Å; L764-L828 HydrophobicContact CB-CD2 3.83Å; L764-L828 HydrophobicContact CD1-CD1 4.03Å; L764-L828 HydrophobicContact CD1-CD2 3.68Å; L764-L828 HydrophobicContact CG-CD2 4.42Å; L764-Y831 WeakPolarHBondContact O-CE1 3.47Å |
| 765 | I | 64.6 | Low | 59.6 | Low | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.1 | -31.5 | 173.6 | -77 | 172.5 | 0 | 0 | 0 | 112.3 | H536 N540 L543 A761 L762 F763 | H536-I765 PolarHBondContact CE1-O 3.46Å; H536-I765 PolarHBondContact NE2-O 3.47Å; N540-I765 VanDerWaalsContact OD1-CG2 3.29Å; N540-I765 WeakPolarHBondContact OD1-CG2 3.21Å; L543-I765 HydrophobicContact CD1-CD1 3.36Å; A761-I765 WeakPolarHBondContact O-CB 3.4Å; A761-I765 WeakPolarHBondContact O-CD1 3.45Å; A761-I765 WeakPolarHBondContact O-CG1 3.43Å; A761-I765 PolarHBondContact O-N 3.44Å; L762-I765 WeakPolarHBondContact O-CB 3.41Å; L762-I765 PolarHBondContact O-N 3.47Å; F763-I765 PolarHBondContact O-N 3.22Å |
| 766 | Q | 60.2 | Low | 58.1 | Low | 94 Ų | 94 | 55 Ų | 55 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -79.9 | -46.3 | 177.6 | -75 | 176.2 | -16.5 | 0 | 0 | 113 | L762 F763 N768 Q769 | L762-Q766 WeakPolarHBondContact O-CG 3.19Å; L762-Q766 PolarHBondContact O-N 3.18Å; F763-Q766 PolarHBondContact O-N 3.09Å; Q766-N768 VanDerWaalsContact C-N 3.27Å; Q766-N768 PolarHBondContact O-N 2.69Å; Q766-N768 VanDerWaalsContact O-N 3.16Å; Q766-Q769 WeakPolarHBondContact O-CB 3.24Å; Q766-Q769 PolarHBondContact O-N 2.95Å |
| 767 | L | 56.9 | Low | 56.7 | Low | 29 Ų | 29 | 56.8 Ų | 56.8 | 15% | 0.152 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -49.7 | -46.2 | -175 | -104.1 | -178.6 | 0 | 0 | 0 | 113.3 | F763 Q769 C770 L777 I780 | F763-L767 HydrophobicContact CD1-CD1 4.02Å; F763-L767 HydrophobicContact CD1-CG 4.29Å; F763-L767 HydrophobicContact CD2-CG 4.48Å; F763-L767 HydrophobicContact CE1-CD1 3.27Å; F763-L767 HydrophobicContact CE1-CD2 4.47Å; F763-L767 HydrophobicContact CE1-CG 3.63Å; F763-L767 HydrophobicContact CE2-CD1 4.41Å; F763-L767 HydrophobicContact CE2-CD2 4.33Å; F763-L767 HydrophobicContact CE2-CG 3.85Å; F763-L767 HydrophobicContact CZ-CD1 3.52Å; F763-L767 HydrophobicContact CZ-CD2 3.86Å; F763-L767 HydrophobicContact CZ-CG 3.4Å; F763-L767 PolarHBondContact O-N 3.09Å; L767-Q769 PolarHBondContact O-N 3.04Å; L767-Q769 VanDerWaalsContact O-N 3.11Å; L767-C770 PolarHBondContact O-N 3.3Å; L767-L777 HydrophobicContact CD1-CD2 4.44Å; L767-I780 HydrophobicContact CD1-CD1 4.29Å |
| 768 | N | 52.4 | Low | 55.5 | Low | 20 Ų | 20 | 61 Ų | 61 | 11% | 0.107 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 0.5 | -173.1 | -110.9 | -41.4 | 0 | 0 | 0 | 114.2 | Q766 C770 Y831 K835 | Q766-N768 VanDerWaalsContact C-N 3.27Å; Q766-N768 PolarHBondContact O-N 2.69Å; Q766-N768 VanDerWaalsContact O-N 3.16Å; N768-C770 VanDerWaalsContact C-N 3.3Å; N768-Y831 HydrophobicContact CB-CE1 3.99Å; N768-Y831 WeakPolarHBondContact CB-OH 3.45Å; N768-K835 WeakPolarHBondContact OD1-CE 3.14Å; N768-K835 PolarHBondContact OD1-NZ 3.22Å |
| 769 | Q | 50 | Low | 54.3 | Low | 108 Ų | 108 | 64.6 Ų | 64.6 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -16.4 | 166.5 | -60.9 | -170.3 | -9.9 | 0 | 0 | 112.1 | Q766 L767 E771 | Q766-Q769 WeakPolarHBondContact O-CB 3.24Å; Q766-Q769 PolarHBondContact O-N 2.95Å; L767-Q769 PolarHBondContact O-N 3.04Å; L767-Q769 VanDerWaalsContact O-N 3.11Å; Q769-E771 PolarHBondContact O-N 2.81Å |
| 770 | C | 41.2 | Very low | 53.5 | Low | 83 Ų | 83 | 63.6 Ų | 63.6 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | trans | -90 | 92.9 | 170.7 | -67.9 | 0 | 0 | 0 | 0 | 110.6 | L767 N768 S772 | L767-C770 PolarHBondContact O-N 3.3Å; N768-C770 VanDerWaalsContact C-N 3.3Å; C770-S772 PolarHBondContact O-N 2.93Å | ||
| 771 | E | 44.5 | Very low | 52.6 | Low | 141 Ų | 141 | 63.4 Ų | 63.4 | 66% | 0.659 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 43.3 | 176.2 | -58 | -167.6 | 130.9 | 0 | 0 | 113.2 | K585 Q769 | K585-E771 PolarHBondContact NZ-O 3.21Å; Q769-E771 PolarHBondContact O-N 2.81Å |
| 772 | S | 44.8 | Very low | 51.8 | Low | 73 Ų | 73 | 69.4 Ų | 69.4 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -51 | 179.9 | 54.9 | 0 | 0 | 0 | 0 | 113 | C770 | C770-S772 PolarHBondContact O-N 2.93Š|
| 773 | D | 41.1 | Very low | 51.3 | Low | 83 Ų | 83 | 69.1 Ų | 69.1 | 44% | 0.444 | 36% | 0.36 | S | S | . | . | trans | -123.6 | 122.2 | -164.2 | -58.9 | -81 | 0 | 0 | 0 | 112.4 | I714 | I714-D773 HydrophobicContact CD1-CB 4.3Å; I714-D773 WeakPolarHBondContact CD1-OD2 3.4Å | ||
| 774 | K | 45.4 | Very low | 51 | Low | 175 Ų | 175 | 68.6 Ų | 68.6 | 76% | 0.761 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -86.2 | -25.6 | -178.3 | -70 | 179.7 | 179.3 | 173.6 | 0 | 113.7 | ||
| 775 | D | 48.4 | Very low | 50.8 | Low | 133 Ų | 133 | 68.1 Ų | 68.1 | 71% | 0.711 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -68.8 | -43.1 | -167.7 | -62.1 | -17.2 | 0 | 0 | 0 | 115.7 | L777 N778 | D775-L777 PolarHBondContact O-N 3.03Å; D775-N778 PolarHBondContact O-N 2.95Å |
| 776 | P | 42.3 | Very low | 50.9 | Low | 25 Ų | 25 | 70.9 Ų | 70.9 | 16% | 0.162 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.6 | -23.1 | -177.8 | 26.3 | -34 | 0 | 0 | 0 | 113.2 | L718 I780 | L718-P776 HydrophobicContact CD2-CB 4.32Å; P776-I780 WeakPolarHBondContact O-CG1 3.35Å |
| 777 | L | 45.5 | Very low | 51.3 | Low | 40 Ų | 40 | 66.7 Ų | 66.7 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.4 | -38.9 | 176.7 | -83.6 | 159 | 0 | 0 | 0 | 112.3 | L767 D775 L779 I780 S781 | L767-L777 HydrophobicContact CD1-CD2 4.44Å; D775-L777 PolarHBondContact O-N 3.03Å; L777-L779 PolarHBondContact O-N 3.41Å; L777-I780 PolarHBondContact O-N 2.89Å; L777-S781 WeakPolarHBondContact O-CB 3.37Å; L777-S781 PolarHBondContact O-N 2.91Å; L777-S781 PolarHBondContact O-OG 3.36Å |
| 778 | N | 50.4 | Low | 52.1 | Low | 87 Ų | 87 | 65.4 Ų | 65.4 | 47% | 0.465 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71 | -28.9 | -178.1 | -73.4 | -23 | 0 | 0 | 0 | 113.3 | D775 S781 | D775-N778 PolarHBondContact O-N 2.95Å; N778-S781 PolarHBondContact O-OG 2.95Å |
| 779 | L | 47 | Very low | 53.1 | Low | 134 Ų | 134 | 65.2 Ų | 65.2 | 70% | 0.702 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -75.9 | -30.1 | 178.8 | -152.8 | 76 | 0 | 0 | 0 | 112.1 | L777 | L777-L779 PolarHBondContact O-N 3.41Å |
| 780 | I | 52 | Low | 54.5 | Low | 21 Ų | 21 | 63.5 Ų | 63.5 | 11% | 0.108 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -92.6 | -31.1 | -177.6 | -58.6 | 176.2 | 0 | 0 | 0 | 111.3 | L718 F763 L764 L767 P776 L777 H782 S783 T784 | L718-I780 HydrophobicContact CD2-CD1 4.06Å; F763-I780 HydrophobicContact CE1-CD1 3.93Å; L764-I780 HydrophobicContact CD2-CG2 3.91Å; L767-I780 HydrophobicContact CD1-CD1 4.29Å; P776-I780 WeakPolarHBondContact O-CG1 3.35Å; L777-I780 PolarHBondContact O-N 2.89Å; I780-H782 PolarHBondContact O-N 3.22Å; I780-S783 PolarHBondContact O-OG 2.83Å; I780-T784 HydrophobicContact CG2-CG2 3.79Å; I780-T784 WeakPolarHBondContact O-CB 3.25Å; I780-T784 VanDerWaalsContact O-CG2 3.29Å; I780-T784 WeakPolarHBondContact O-CG2 3.45Å; I780-T784 PolarHBondContact O-N 3.2Å; I780-T784 VanDerWaalsContact O-N 3.16Å; I780-T784 PolarHBondContact O-OG1 3.05Å |
| 781 | S | 52.3 | Low | 56.3 | Low | 7 Ų | 7 | 59.6 Ų | 59.6 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 179.2 | 62.5 | 0 | 0 | 0 | 0 | 113.1 | L777 N778 S783 T784 T838 | L777-S781 WeakPolarHBondContact O-CB 3.37Å; L777-S781 PolarHBondContact O-N 2.91Å; L777-S781 PolarHBondContact O-OG 3.36Å; N778-S781 PolarHBondContact O-OG 2.95Å; S781-S783 PolarHBondContact O-N 3.14Å; S781-T784 PolarHBondContact O-OG1 3.15Å; S781-T838 PolarHBondContact OG-O 2.94Å |
| 782 | H | 52.7 | Low | 58 | Low | 127 Ų | 127 | 53.1 Ų | 53.1 | 59% | 0.588 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -70.5 | -31.4 | -175.8 | -92.1 | -66.9 | 0 | 0 | 0 | 114.1 | I780 | I780-H782 PolarHBondContact O-N 3.22Å |
| 783 | S | 56.1 | Low | 59.8 | Low | 41 Ų | 41 | 51.1 Ų | 51.1 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -76.4 | -48.1 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 111.4 | I780 S781 G785 S786 L787 | I780-S783 PolarHBondContact O-OG 2.83Å; S781-S783 PolarHBondContact O-N 3.14Å; S783-G785 PolarHBondContact O-N 3.24Å; S783-S786 PolarHBondContact O-N 3.37Å; S783-S786 VanDerWaalsContact O-N 3.16Å; S783-S786 PolarHBondContact O-OG 2.91Å; S783-L787 WeakPolarHBondContact O-CD1 3.45Å; S783-L787 PolarHBondContact O-N 3.49Å |
| 784 | T | 58.3 | Low | 61.8 | Low | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.5 | -33.5 | -169.5 | 48.4 | 0 | 0 | 0 | 0 | 114.9 | I760 L764 I780 S781 S786 L787 F788 | I760-T784 HydrophobicContact CG2-CG2 3.87Å; L764-T784 HydrophobicContact CD1-CG2 4.41Å; I780-T784 HydrophobicContact CG2-CG2 3.79Å; I780-T784 WeakPolarHBondContact O-CB 3.25Å; I780-T784 VanDerWaalsContact O-CG2 3.29Å; I780-T784 WeakPolarHBondContact O-CG2 3.45Å; I780-T784 PolarHBondContact O-N 3.2Å; I780-T784 VanDerWaalsContact O-N 3.16Å; I780-T784 PolarHBondContact O-OG1 3.05Å; S781-T784 PolarHBondContact O-OG1 3.15Å; T784-S786 PolarHBondContact O-N 3.31Å; T784-L787 WeakPolarHBondContact O-CB 3.2Å; T784-L787 PolarHBondContact O-N 3.34Å; T784-F788 WeakPolarHBondContact O-CD2 3.44Å; T784-F788 PolarHBondContact O-N 3.15Å |
| 785 | G | 60.8 | Low | 63.6 | Low | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S783 L787 | S783-G785 PolarHBondContact O-N 3.24Å; G785-L787 VanDerWaalsContact C-N 3.34Å; G785-L787 PolarHBondContact O-N 2.66Å |
| 786 | S | 67.3 | Low | 65.3 | Low | 62 Ų | 62 | 33.1 Ų | 33.1 | 43% | 0.434 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -70.3 | -30.3 | -180 | 75.4 | 0 | 0 | 0 | 0 | 113.3 | S783 T784 S789 N790 | S783-S786 PolarHBondContact O-N 3.37Å; S783-S786 VanDerWaalsContact O-N 3.16Å; S783-S786 PolarHBondContact O-OG 2.91Å; T784-S786 PolarHBondContact O-N 3.31Å; S786-S789 PolarHBondContact O-N 3.04Å; S786-N790 PolarHBondContact O-N 3.18Å; S786-N790 VanDerWaalsContact O-N 3.09Å; S786-N790 PolarHBondContact O-ND2 3.45Å |
| 787 | L | 68.2 | Low | 67.3 | Low | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -47.1 | -178.3 | -84.8 | 150.9 | 0 | 0 | 0 | 112 | P725 L728 I729 S783 T784 G785 N790 C791 | P725-L787 HydrophobicContact CB-CD1 3.72Å; P725-L787 HydrophobicContact CG-CD1 4.21Å; P725-L787 WeakPolarHBondContact O-CD2 3.44Å; L728-L787 HydrophobicContact CB-CD2 3.83Å; L728-L787 HydrophobicContact CD2-CB 4.08Å; L728-L787 HydrophobicContact CD2-CD2 3.88Å; L728-L787 HydrophobicContact CG-CD2 4.34Å; I729-L787 HydrophobicContact CD1-CD2 4Å; I729-L787 HydrophobicContact CG1-CD2 3.69Å; S783-L787 WeakPolarHBondContact O-CD1 3.45Å; S783-L787 PolarHBondContact O-N 3.49Å; T784-L787 WeakPolarHBondContact O-CB 3.2Å; T784-L787 PolarHBondContact O-N 3.34Å; G785-L787 VanDerWaalsContact C-N 3.34Å; G785-L787 PolarHBondContact O-N 2.66Å; L787-N790 PolarHBondContact O-N 3.45Å; L787-C791 WeakPolarHBondContact O-CB 3.34Å; L787-C791 PolarHBondContact O-N 2.82Å |
| 788 | F | 72.8 | Confident | 69 | Low | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 177.5 | -67.9 | -65.4 | 0 | 0 | 0 | 112.3 | I760 T784 C791 L792 V821 L828 | I760-F788 HydrophobicContact CB-CZ 4.15Å; I760-F788 HydrophobicContact CG2-CE2 3.99Å; I760-F788 HydrophobicContact CG2-CZ 3.76Å; T784-F788 WeakPolarHBondContact O-CD2 3.44Å; T784-F788 PolarHBondContact O-N 3.15Å; F788-C791 PolarHBondContact O-N 3.18Å; F788-L792 WeakPolarHBondContact O-CB 3.11Å; F788-L792 PolarHBondContact O-N 2.9Å; F788-V821 HydrophobicContact CD1-CG1 4.29Å; F788-L828 HydrophobicContact CD2-CD1 4.43Å; F788-L828 HydrophobicContact CE2-CD1 3.51Å; F788-L828 HydrophobicContact CZ-CD1 3.81Å |
| 789 | S | 74.7 | Confident | 70.4 | Confident | 16 Ų | 16 | 29.4 Ų | 29.4 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 174.9 | -179.5 | 0 | 0 | 0 | 0 | 113.1 | S786 L792 T793 Q847 | S786-S789 PolarHBondContact O-N 3.04Å; S789-L792 PolarHBondContact O-N 3.43Å; S789-T793 PolarHBondContact O-N 2.86Å; S789-T793 VanDerWaalsContact O-N 3.12Å; S789-T793 PolarHBondContact O-OG1 3.21Å; S789-Q847 PolarHBondContact OG-NE2 2.82Å; S789-Q847 PolarHBondContact OG-OE1 3.46Å |
| 790 | N | 78 | Confident | 72 | Confident | 73 Ų | 73 | 30.4 Ų | 30.4 | 39% | 0.39 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67.2 | -38.1 | 176.7 | -76.8 | -63.3 | 0 | 0 | 0 | 112.3 | S786 L787 T793 V794 | S786-N790 PolarHBondContact O-N 3.18Å; S786-N790 VanDerWaalsContact O-N 3.09Å; S786-N790 PolarHBondContact O-ND2 3.45Å; L787-N790 PolarHBondContact O-N 3.45Å; N790-T793 PolarHBondContact O-OG1 2.92Å; N790-T793 VanDerWaalsContact O-OG1 3.1Å; N790-V794 WeakPolarHBondContact O-CG2 3.44Å; N790-V794 PolarHBondContact O-N 3.15Å |
| 791 | C | 79.2 | Confident | 73.2 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -46 | 175.2 | -164.7 | 0 | 0 | 0 | 0 | 111.7 | L728 T732 L787 F788 T793 V794 L795 | L728-C791 HydrophobicContact CD2-CB 4.37Å; T732-C791 HydrophobicContact CG2-CB 4.14Å; L787-C791 WeakPolarHBondContact O-CB 3.34Å; L787-C791 PolarHBondContact O-N 2.82Å; F788-C791 PolarHBondContact O-N 3.18Å; C791-T793 PolarHBondContact O-N 3.46Å; C791-V794 PolarHBondContact O-N 3.07Å; C791-L795 WeakPolarHBondContact O-CG 3.45Å; C791-L795 PolarHBondContact O-N 3.42Å |
| 792 | L | 80.5 | Confident | 73.9 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.2 | -46.4 | 179.9 | -153.5 | 85.1 | 0 | 0 | 0 | 111.8 | F788 S789 L795 I796 L818 V821 L822 Q847 A851 | F788-L792 WeakPolarHBondContact O-CB 3.11Å; F788-L792 PolarHBondContact O-N 2.9Å; S789-L792 PolarHBondContact O-N 3.43Å; L792-L795 PolarHBondContact O-N 2.84Å; L792-I796 HydrophobicContact CD2-CD1 4.43Å; L792-I796 HydrophobicContact CG-CD1 4.33Å; L792-I796 WeakPolarHBondContact O-CD1 3.42Å; L792-I796 VanDerWaalsContact O-CG1 3.26Å; L792-I796 WeakPolarHBondContact O-CG1 3.47Å; L792-I796 PolarHBondContact O-N 3.37Å; L792-L818 HydrophobicContact CD1-CD1 3.57Å; L792-L818 HydrophobicContact CG-CD1 3.89Å; L792-V821 HydrophobicContact CD1-CG1 3.78Å; L792-L822 HydrophobicContact CD1-CD2 3.79Å; L792-L822 HydrophobicContact CD1-CG 3.96Å; L792-L822 HydrophobicContact CD2-CD2 4.49Å; L792-Q847 HydrophobicContact CD2-CB 4.04Å; L792-A851 HydrophobicContact CD1-CB 4.48Å; L792-A851 HydrophobicContact CD2-CB 3.96Å; L792-A851 HydrophobicContact CG-CB 4.28Å |
| 793 | T | 82.9 | Confident | 74.3 | Confident | 31 Ų | 31 | 32.3 Ų | 32.3 | 19% | 0.19 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -45.1 | 178.9 | 45.5 | 0 | 0 | 0 | 0 | 112.4 | S789 N790 C791 L795 I796 D797 Q847 | S789-T793 PolarHBondContact O-N 2.86Å; S789-T793 VanDerWaalsContact O-N 3.12Å; S789-T793 PolarHBondContact O-OG1 3.21Å; N790-T793 PolarHBondContact O-OG1 2.92Å; N790-T793 VanDerWaalsContact O-OG1 3.1Å; C791-T793 PolarHBondContact O-N 3.46Å; T793-L795 VanDerWaalsContact C-N 3.32Å; T793-L795 PolarHBondContact O-N 2.9Å; T793-I796 PolarHBondContact O-N 3.19Å; T793-D797 VanDerWaalsContact O-CG 3.24Å; T793-D797 PolarHBondContact O-N 2.94Å; T793-Q847 HydrophobicContact CG2-CG 4.4Å |
| 794 | V | 83.7 | Confident | 74.6 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.024 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -35.4 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 112.3 | L735 R736 N790 C791 D797 I798 | L735-V794 HydrophobicContact CB-CG1 3.56Å; L735-V794 HydrophobicContact CD1-CG1 4.38Å; R736-V794 HydrophobicContact CB-CG2 4.16Å; N790-V794 WeakPolarHBondContact O-CG2 3.44Å; N790-V794 PolarHBondContact O-N 3.15Å; C791-V794 PolarHBondContact O-N 3.07Å; V794-D797 PolarHBondContact O-N 3.35Å; V794-I798 HydrophobicContact CG1-CD1 4.12Å; V794-I798 WeakPolarHBondContact O-CD1 2.97Å; V794-I798 VanDerWaalsContact O-CG1 3.29Å; V794-I798 WeakPolarHBondContact O-CG1 3.47Å; V794-I798 PolarHBondContact O-N 3.28Å; V794-I798 VanDerWaalsContact O-N 3.09Å |
| 795 | L | 83.4 | Confident | 74.9 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.5 | -38.8 | 174.4 | -70.3 | 169 | 0 | 0 | 0 | 112.4 | C791 L792 T793 D797 I798 I799 A814 A817 L818 V821 | C791-L795 WeakPolarHBondContact O-CG 3.45Å; C791-L795 PolarHBondContact O-N 3.42Å; L792-L795 PolarHBondContact O-N 2.84Å; T793-L795 VanDerWaalsContact C-N 3.32Å; T793-L795 PolarHBondContact O-N 2.9Å; L795-D797 VanDerWaalsContact C-N 3.35Å; L795-I798 PolarHBondContact O-N 3.5Å; L795-I799 WeakPolarHBondContact O-CD1 3.32Å; L795-I799 WeakPolarHBondContact O-CG1 3.39Å; L795-I799 PolarHBondContact O-N 2.78Å; L795-I799 VanDerWaalsContact O-N 3.08Å; L795-A814 HydrophobicContact CD2-CB 4.24Å; L795-A817 HydrophobicContact CD1-CB 3.99Å; L795-A817 HydrophobicContact CD2-CB 3.83Å; L795-L818 HydrophobicContact CB-CB 4.46Å; L795-L818 HydrophobicContact CB-CD1 4.12Å; L795-V821 HydrophobicContact CD1-CG2 3.98Å |
| 796 | I | 83.2 | Confident | 75.2 | Confident | 8 Ų | 8 | 43.6 Ų | 43.6 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 171.9 | -68.4 | 162.8 | 0 | 0 | 0 | 110.8 | L792 T793 I799 R800 L818 A851 | L792-I796 HydrophobicContact CD2-CD1 4.43Å; L792-I796 HydrophobicContact CG-CD1 4.33Å; L792-I796 WeakPolarHBondContact O-CD1 3.42Å; L792-I796 VanDerWaalsContact O-CG1 3.26Å; L792-I796 WeakPolarHBondContact O-CG1 3.47Å; L792-I796 PolarHBondContact O-N 3.37Å; T793-I796 PolarHBondContact O-N 3.19Å; I796-I799 PolarHBondContact O-N 2.9Å; I796-R800 HydrophobicContact CG2-CG 4.42Å; I796-R800 WeakPolarHBondContact O-CB 3.33Å; I796-R800 WeakPolarHBondContact O-CG 3.43Å; I796-R800 PolarHBondContact O-N 2.84Å; I796-L818 HydrophobicContact CG1-CD1 4.23Å; I796-A851 HydrophobicContact CD1-CB 4.05Å; I796-A851 HydrophobicContact CG1-CB 4.49Å |
| 797 | D | 83.7 | Confident | 75.5 | Confident | 69 Ų | 69 | 42 Ų | 42 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.8 | -44.1 | 177.8 | -68 | -27.3 | 0 | 0 | 0 | 111.4 | R736 T793 V794 L795 I799 R800 E801 | R736-D797 IonicContact NH2-OD2 2.72Å; T793-D797 VanDerWaalsContact O-CG 3.24Å; T793-D797 PolarHBondContact O-N 2.94Å; V794-D797 PolarHBondContact O-N 3.35Å; L795-D797 VanDerWaalsContact C-N 3.35Å; D797-I799 VanDerWaalsContact C-N 3.3Å; D797-I799 PolarHBondContact O-N 2.86Å; D797-R800 CarbonylContact O-C 3.59Å; D797-R800 WeakPolarHBondContact O-CB 3.39Å; D797-R800 PolarHBondContact O-N 3.26Å; D797-R800 VanDerWaalsContact O-N 3.11Å; D797-E801 PolarHBondContact O-N 3.44Å |
| 798 | I | 81.8 | Confident | 76 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.8 | -32.9 | 175.8 | -64.7 | 160.9 | 0 | 0 | 0 | 112.1 | L735 V794 L795 C806 L810 A814 | L735-I798 HydrophobicContact CB-CD1 4.24Å; L735-I798 HydrophobicContact CD1-CD1 4.42Å; L735-I798 HydrophobicContact CD2-CD1 3.94Å; L735-I798 HydrophobicContact CG-CD1 4.44Å; V794-I798 HydrophobicContact CG1-CD1 4.12Å; V794-I798 WeakPolarHBondContact O-CD1 2.97Å; V794-I798 VanDerWaalsContact O-CG1 3.29Å; V794-I798 WeakPolarHBondContact O-CG1 3.47Å; V794-I798 PolarHBondContact O-N 3.28Å; V794-I798 VanDerWaalsContact O-N 3.09Å; L795-I798 PolarHBondContact O-N 3.5Å; I798-C806 PolarHBondContact O-SG 2.96Å; I798-C806 VanDerWaalsContact O-SG 3.37Å; I798-L810 HydrophobicContact CG2-CD1 4.13Å; I798-L810 HydrophobicContact CG2-CD2 4.18Å; I798-L810 HydrophobicContact CG2-CG 3.86Å; I798-A814 HydrophobicContact CB-CB 4.14Å; I798-A814 HydrophobicContact CG2-CB 3.62Å |
| 799 | I | 79.9 | Confident | 76.3 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.3 | -32 | 174.6 | -71.7 | 165 | 0 | 0 | 0 | 111.2 | L795 I796 D797 R811 A814 V815 L818 L858 | L795-I799 WeakPolarHBondContact O-CD1 3.32Å; L795-I799 WeakPolarHBondContact O-CG1 3.39Å; L795-I799 PolarHBondContact O-N 2.78Å; L795-I799 VanDerWaalsContact O-N 3.08Å; I796-I799 PolarHBondContact O-N 2.9Å; D797-I799 VanDerWaalsContact C-N 3.3Å; D797-I799 PolarHBondContact O-N 2.86Å; I799-R811 PolarHBondContact O-NE 2.81Å; I799-R811 VanDerWaalsContact O-NE 3.11Å; I799-R811 PolarHBondContact O-NH2 3.13Å; I799-A814 HydrophobicContact CG1-CB 4.09Å; I799-V815 HydrophobicContact CD1-CG2 3.84Å; I799-V815 HydrophobicContact CG1-CG2 3.96Å; I799-L818 HydrophobicContact CD1-CB 4.31Å; I799-L818 HydrophobicContact CD1-CD2 3.7Å; I799-L858 HydrophobicContact CG2-CD1 3.89Å |
| 800 | R | 79.6 | Confident | 76.7 | Confident | 155 Ų | 155 | 50.4 Ų | 50.4 | 59% | 0.585 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -77.1 | -22.6 | 176.3 | -78.3 | 177.2 | 158.9 | -174.6 | -4.8 | 114.5 | I796 D797 H854 | I796-R800 HydrophobicContact CG2-CG 4.42Å; I796-R800 WeakPolarHBondContact O-CB 3.33Å; I796-R800 WeakPolarHBondContact O-CG 3.43Å; I796-R800 PolarHBondContact O-N 2.84Å; D797-R800 CarbonylContact O-C 3.59Å; D797-R800 WeakPolarHBondContact O-CB 3.39Å; D797-R800 PolarHBondContact O-N 3.26Å; D797-R800 VanDerWaalsContact O-N 3.11Å; R800-H854 PolarHBondContact NE-NE2 3.44Å |
| 801 | E | 78.7 | Confident | 77 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -53.3 | 144.8 | 175.5 | -83.3 | -179.8 | -149.3 | 0 | 0 | 112.7 | R746 D797 C806 | R746-E801 IonicContact CZ-OE1 3.66Å; R746-E801 IonicContact CZ-OE2 3.6Å; R746-E801 IonicContact NH1-OE1 2.98Å; R746-E801 PolarHBondContact NH1-OE1 2.88Å; R746-E801 IonicContact NH1-OE2 2.73Å; R746-E801 PolarHBondContact NH1-OE2 2.8Å; R746-E801 IonicContact NH2-OE1 2.68Å; R746-E801 PolarHBondContact NH2-OE1 3.49Å; R746-E801 IonicContact NH2-OE2 3.52Å; D797-E801 PolarHBondContact O-N 3.44Å; E801-C806 HydrophobicContact CB-CB 3.69Å |
| 802 | S | 65.3 | Low | 77.2 | Confident | 56 Ų | 56 | 51 Ų | 51 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | trans | -60.4 | 146.9 | 177.5 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | S804 R805 C806 | S802-S804 WeakPolarHBondContact CB-OG 3.31Å; S802-S804 PolarHBondContact O-N 3.49Å; S802-S804 VanDerWaalsContact O-N 3.08Å; S802-S804 PolarHBondContact OG-OG 2.93Å; S802-R805 PolarHBondContact O-N 3.33Å; S802-C806 PolarHBondContact O-N 3.13Å | ||
| 803 | S | 61.2 | Low | 77.2 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 70% | 0.699 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.1 | 176.4 | 48.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 804 | S | 63.4 | Low | 77.3 | Confident | 106 Ų | 106 | 49.6 Ų | 49.6 | 74% | 0.741 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -20.5 | 172.4 | 52.9 | 0 | 0 | 0 | 0 | 114.6 | S802 | S802-S804 WeakPolarHBondContact CB-OG 3.31Å; S802-S804 PolarHBondContact O-N 3.49Å; S802-S804 VanDerWaalsContact O-N 3.08Å; S802-S804 PolarHBondContact OG-OG 2.93Å |
| 805 | R | 63.7 | Low | 77.3 | Confident | 175 Ų | 175 | 49.4 Ų | 49.4 | 66% | 0.66 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -50.1 | 176 | -68.4 | -175.8 | 177.7 | -171.6 | 1.3 | 111.5 | N743 S802 G807 | N743-R805 PolarHBondContact ND2-O 2.81Å; S802-R805 PolarHBondContact O-N 3.33Å; R805-G807 PolarHBondContact O-N 3.24Å |
| 806 | C | 67 | Low | 77.2 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -87.3 | 93.5 | -178 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | I798 E801 S802 | I798-C806 PolarHBondContact O-SG 2.96Å; I798-C806 VanDerWaalsContact O-SG 3.37Å; E801-C806 HydrophobicContact CB-CB 3.69Å; S802-C806 PolarHBondContact O-N 3.13Å |
| 807 | G | 73.6 | Confident | 77.2 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 29% | 0.289 | 26% | 0.264 | S | S | . | . | trans | -59.6 | 147.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N743 R805 R809 L810 R811 | N743-G807 PolarHBondContact ND2-N 3.45Å; R805-G807 PolarHBondContact O-N 3.24Å; G807-R809 PolarHBondContact O-N 3.32Å; G807-L810 WeakPolarHBondContact O-CA 3.42Å; G807-L810 WeakPolarHBondContact O-CB 3.22Å; G807-L810 PolarHBondContact O-N 2.7Å; G807-R811 PolarHBondContact O-N 3.09Å; G807-R811 VanDerWaalsContact O-N 3.12Å | ||
| 808 | L | 78.6 | Confident | 77.3 | Confident | 77 Ų | 77 | 48.5 Ų | 48.5 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -53 | -33.2 | -170 | -62.8 | 168.1 | 0 | 0 | 0 | 114.1 | Q812 I920 I925 | L808-Q812 WeakPolarHBondContact O-CB 3.34Å; L808-Q812 PolarHBondContact O-N 2.87Å; L808-I920 HydrophobicContact CB-CG2 4.1Å; L808-I920 VanDerWaalsContact CD1-O 3.23Å; L808-I920 WeakPolarHBondContact CD1-O 3.43Å; L808-I925 HydrophobicContact CB-CD1 4.25Å; L808-I925 HydrophobicContact CD2-CD1 3.55Å |
| 809 | R | 80.3 | Confident | 77.3 | Confident | 123 Ų | 123 | 48.6 Ų | 48.6 | 46% | 0.464 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 173 | -70.8 | -169.1 | 167.8 | 173.6 | -2.6 | 113.4 | G807 A813 I920 | G807-R809 PolarHBondContact O-N 3.32Å; R809-A813 WeakPolarHBondContact O-CB 3.21Å; R809-A813 PolarHBondContact O-N 2.82Å; R809-I920 HydrophobicContact CG-CD1 3.77Å |
| 810 | L | 83.7 | Confident | 77.3 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -46.2 | 178.3 | 175.5 | 58.7 | 0 | 0 | 0 | 110.3 | N743 R746 T747 I798 G807 Q812 A813 A814 | N743-L810 WeakPolarHBondContact OD1-CD2 3.4Å; R746-L810 HydrophobicContact CB-CD1 3.57Å; R746-L810 HydrophobicContact CB-CD2 3.84Å; R746-L810 HydrophobicContact CB-CG 4.36Å; T747-L810 WeakPolarHBondContact OG1-CA 3.31Å; I798-L810 HydrophobicContact CG2-CD1 4.13Å; I798-L810 HydrophobicContact CG2-CD2 4.18Å; I798-L810 HydrophobicContact CG2-CG 3.86Å; G807-L810 WeakPolarHBondContact O-CA 3.42Å; G807-L810 WeakPolarHBondContact O-CB 3.22Å; G807-L810 PolarHBondContact O-N 2.7Å; L810-Q812 VanDerWaalsContact C-N 3.32Å; L810-Q812 PolarHBondContact O-N 3.33Å; L810-A813 PolarHBondContact O-N 3.05Å; L810-A813 VanDerWaalsContact O-N 3.17Å; L810-A814 WeakPolarHBondContact O-CB 3.43Å; L810-A814 PolarHBondContact O-N 3.48Å |
| 811 | R | 83.3 | Confident | 77.5 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 20% | 0.204 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 178.9 | -147.9 | 177.2 | -163.9 | -167 | 8 | 111.5 | I799 G807 V815 I925 | I799-R811 PolarHBondContact O-NE 2.81Å; I799-R811 VanDerWaalsContact O-NE 3.11Å; I799-R811 PolarHBondContact O-NH2 3.13Å; G807-R811 PolarHBondContact O-N 3.09Å; G807-R811 VanDerWaalsContact O-N 3.12Å; R811-V815 VanDerWaalsContact O-CG2 3.23Å; R811-V815 WeakPolarHBondContact O-CG2 3.47Å; R811-V815 PolarHBondContact O-N 2.84Å; R811-V815 VanDerWaalsContact O-N 3.1Å; R811-I925 HydrophobicContact CB-CD1 4.1Å |
| 812 | Q | 83.2 | Confident | 77.7 | Confident | 32 Ų | 32 | 41 Ų | 41 | 15% | 0.15 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 174.2 | -164 | -176.1 | 12.2 | 0 | 0 | 112.4 | L808 L810 V815 I816 H924 I925 S928 | L808-Q812 WeakPolarHBondContact O-CB 3.34Å; L808-Q812 PolarHBondContact O-N 2.87Å; L810-Q812 VanDerWaalsContact C-N 3.32Å; L810-Q812 PolarHBondContact O-N 3.33Å; Q812-V815 PolarHBondContact O-N 2.92Å; Q812-I816 HydrophobicContact CG-CD1 4.3Å; Q812-I816 WeakPolarHBondContact O-CG1 3.3Å; Q812-I816 PolarHBondContact O-N 2.84Å; Q812-I816 VanDerWaalsContact O-N 3.13Å; Q812-H924 PolarHBondContact NE2-O 2.89Å; Q812-I925 HydrophobicContact CB-CG1 4.15Å; Q812-S928 VanDerWaalsContact CG-OG 3.26Å; Q812-S928 WeakPolarHBondContact CG-OG 3.45Å; Q812-S928 PolarHBondContact NE2-OG 3.34Å |
| 813 | A | 81.3 | Confident | 78.3 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68 | -38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | T747 C750 R809 L810 V815 I816 A817 | T747-A813 HydrophobicContact CG2-CB 3.71Å; C750-A813 HydrophobicContact CB-CB 4.21Å; R809-A813 WeakPolarHBondContact O-CB 3.21Å; R809-A813 PolarHBondContact O-N 2.82Å; L810-A813 PolarHBondContact O-N 3.05Å; L810-A813 VanDerWaalsContact O-N 3.17Å; A813-V815 VanDerWaalsContact C-N 3.34Å; A813-I816 PolarHBondContact O-N 3.45Å; A813-A817 WeakPolarHBondContact O-CB 3.24Å; A813-A817 PolarHBondContact O-N 2.77Å |
| 814 | A | 85 | Confident | 79 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.8 | -37.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L795 I798 I799 L810 L818 | L795-A814 HydrophobicContact CD2-CB 4.24Å; I798-A814 HydrophobicContact CB-CB 4.14Å; I798-A814 HydrophobicContact CG2-CB 3.62Å; I799-A814 HydrophobicContact CG1-CB 4.09Å; L810-A814 WeakPolarHBondContact O-CB 3.43Å; L810-A814 PolarHBondContact O-N 3.48Å; A814-L818 WeakPolarHBondContact O-CB 3.31Å; A814-L818 PolarHBondContact O-N 2.82Å |
| 815 | V | 84.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 174.7 | 167.4 | 0 | 0 | 0 | 0 | 112.1 | I799 R811 Q812 A813 L818 G819 L855 L858 I925 A929 S932 | I799-V815 HydrophobicContact CD1-CG2 3.84Å; I799-V815 HydrophobicContact CG1-CG2 3.96Å; R811-V815 VanDerWaalsContact O-CG2 3.23Å; R811-V815 WeakPolarHBondContact O-CG2 3.47Å; R811-V815 PolarHBondContact O-N 2.84Å; R811-V815 VanDerWaalsContact O-N 3.1Å; Q812-V815 PolarHBondContact O-N 2.92Å; A813-V815 VanDerWaalsContact C-N 3.34Å; V815-L818 PolarHBondContact O-N 3.04Å; V815-G819 PolarHBondContact O-N 2.85Å; V815-L855 HydrophobicContact CG1-CD2 4Å; V815-L858 HydrophobicContact CG2-CD1 3.46Å; V815-L858 VanDerWaalsContact CG2-CD1 3.46Å; V815-I925 HydrophobicContact CG2-CG2 4.35Å; V815-A929 VanDerWaalsContact CG1-CA 3.45Å; V815-A929 HydrophobicContact CG1-CB 3.82Å; V815-S932 PolarHBondContact O-OG 2.86Å |
| 816 | I | 81.4 | Confident | 80.1 | Confident | 59 Ų | 59 | 22 Ų | 22 | 30% | 0.303 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 176.5 | -66.7 | 164.9 | 0 | 0 | 0 | 110.2 | Q812 A813 L818 G819 E820 | Q812-I816 HydrophobicContact CG-CD1 4.3Å; Q812-I816 WeakPolarHBondContact O-CG1 3.3Å; Q812-I816 PolarHBondContact O-N 2.84Å; Q812-I816 VanDerWaalsContact O-N 3.13Å; A813-I816 PolarHBondContact O-N 3.45Å; I816-L818 VanDerWaalsContact C-N 3.31Å; I816-L818 PolarHBondContact O-N 2.98Å; I816-G819 PolarHBondContact O-N 3.5Å; I816-G819 VanDerWaalsContact O-N 3.14Å; I816-E820 HydrophobicContact CG2-CG 4.48Å; I816-E820 PolarHBondContact O-N 3.1Å |
| 817 | A | 83 | Confident | 80.2 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | C750 S754 L795 A813 G819 E820 V821 | C750-A817 HydrophobicContact CB-CB 4.42Å; S754-A817 WeakPolarHBondContact OG-CA 3.24Å; S754-A817 WeakPolarHBondContact OG-CB 3.5Å; L795-A817 HydrophobicContact CD1-CB 3.99Å; L795-A817 HydrophobicContact CD2-CB 3.83Å; A813-A817 WeakPolarHBondContact O-CB 3.24Å; A813-A817 PolarHBondContact O-N 2.77Å; A817-G819 VanDerWaalsContact C-N 3.34Å; A817-G819 PolarHBondContact O-N 2.88Å; A817-E820 PolarHBondContact O-N 3.04Å; A817-V821 WeakPolarHBondContact O-CB 3.44Å; A817-V821 VanDerWaalsContact O-CG2 3.22Å; A817-V821 WeakPolarHBondContact O-CG2 3.39Å; A817-V821 PolarHBondContact O-N 2.98Å |
| 818 | L | 86.1 | Confident | 80 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.1 | -42.3 | 174.7 | -173.9 | 68.3 | 0 | 0 | 0 | 111.4 | L792 L795 I796 I799 A814 V815 I816 L822 A851 L855 | L792-L818 HydrophobicContact CD1-CD1 3.57Å; L792-L818 HydrophobicContact CG-CD1 3.89Å; L795-L818 HydrophobicContact CB-CB 4.46Å; L795-L818 HydrophobicContact CB-CD1 4.12Å; I796-L818 HydrophobicContact CG1-CD1 4.23Å; I799-L818 HydrophobicContact CD1-CB 4.31Å; I799-L818 HydrophobicContact CD1-CD2 3.7Å; A814-L818 WeakPolarHBondContact O-CB 3.31Å; A814-L818 PolarHBondContact O-N 2.82Å; V815-L818 PolarHBondContact O-N 3.04Å; I816-L818 VanDerWaalsContact C-N 3.31Å; I816-L818 PolarHBondContact O-N 2.98Å; L818-L822 HydrophobicContact CG-CD1 4.25Å; L818-L822 WeakPolarHBondContact O-CB 3.39Å; L818-L822 WeakPolarHBondContact O-CG 3.42Å; L818-L822 PolarHBondContact O-N 3.02Å; L818-A851 HydrophobicContact CD1-CB 4.11Å; L818-A851 HydrophobicContact CD2-CB 4.29Å; L818-A851 HydrophobicContact CG-CB 4.48Å; L818-L855 HydrophobicContact CD2-CD1 4.49Å; L818-L855 HydrophobicContact CD2-CD2 4.18Å; L818-L855 HydrophobicContact CD2-CG 4.04Å |
| 819 | G | 81.9 | Confident | 79.5 | Confident | 3 Ų | 3 | 17.7 Ų | 17.7 | 3% | 0.031 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V815 I816 A817 L822 T823 | V815-G819 PolarHBondContact O-N 2.85Å; I816-G819 PolarHBondContact O-N 3.5Å; I816-G819 VanDerWaalsContact O-N 3.14Å; A817-G819 VanDerWaalsContact C-N 3.34Å; A817-G819 PolarHBondContact O-N 2.88Å; G819-L822 PolarHBondContact O-N 2.72Å; G819-T823 PolarHBondContact O-N 3.1Å; G819-T823 PolarHBondContact O-OG1 3.3Å |
| 820 | E | 79.8 | Confident | 78.5 | Confident | 39 Ų | 39 | 12 Ų | 12 | 18% | 0.182 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.1 | -34.4 | -179.3 | -67.8 | 173.9 | 136.9 | 0 | 0 | 112.6 | P605 S754 I816 A817 T823 C824 | P605-E820 VanDerWaalsContact CB-OE1 3.25Å; P605-E820 WeakPolarHBondContact CB-OE1 3.28Å; P605-E820 WeakPolarHBondContact CG-OE1 3.21Å; S754-E820 WeakPolarHBondContact CB-OE2 3.5Å; S754-E820 PolarHBondContact OG-OE2 3.13Å; I816-E820 HydrophobicContact CG2-CG 4.48Å; I816-E820 PolarHBondContact O-N 3.1Å; A817-E820 PolarHBondContact O-N 3.04Å; E820-T823 PolarHBondContact O-OG1 2.85Å; E820-T823 VanDerWaalsContact O-OG1 3.11Å; E820-C824 WeakPolarHBondContact O-CB 3.32Å; E820-C824 PolarHBondContact O-N 2.78Å; E820-C824 PolarHBondContact O-SG 2.88Å |
| 821 | V | 82.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.3 | -42.7 | 172.7 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | F788 L792 L795 A817 S825 | F788-V821 HydrophobicContact CD1-CG1 4.29Å; L792-V821 HydrophobicContact CD1-CG1 3.78Å; L795-V821 HydrophobicContact CD1-CG2 3.98Å; A817-V821 WeakPolarHBondContact O-CB 3.44Å; A817-V821 VanDerWaalsContact O-CG2 3.22Å; A817-V821 WeakPolarHBondContact O-CG2 3.39Å; A817-V821 PolarHBondContact O-N 2.98Å; V821-S825 VanDerWaalsContact O-CB 3.27Å; V821-S825 WeakPolarHBondContact O-CB 3.28Å; V821-S825 PolarHBondContact O-N 3.07Å; V821-S825 PolarHBondContact O-OG 2.91Å |
| 822 | L | 82.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.8 | -44.7 | 178.1 | -76.8 | 169.3 | 0 | 0 | 0 | 112.2 | L792 L818 G819 S825 T826 W848 A851 L855 F936 | L792-L822 HydrophobicContact CD1-CD2 3.79Å; L792-L822 HydrophobicContact CD1-CG 3.96Å; L792-L822 HydrophobicContact CD2-CD2 4.49Å; L818-L822 HydrophobicContact CG-CD1 4.25Å; L818-L822 WeakPolarHBondContact O-CB 3.39Å; L818-L822 WeakPolarHBondContact O-CG 3.42Å; L818-L822 PolarHBondContact O-N 3.02Å; G819-L822 PolarHBondContact O-N 2.72Å; L822-S825 PolarHBondContact O-N 3.48Å; L822-T826 PolarHBondContact O-N 2.77Å; L822-T826 PolarHBondContact O-OG1 2.78Å; L822-W848 HydrophobicContact CD2-CD2 4.31Å; L822-W848 HydrophobicContact CD2-CE3 3.47Å; L822-W848 VanDerWaalsContact CD2-CE3 3.47Å; L822-W848 HydrophobicContact CD2-CH2 4.46Å; L822-W848 HydrophobicContact CD2-CZ3 3.56Å; L822-A851 HydrophobicContact CD1-CB 4.15Å; L822-A851 HydrophobicContact CD2-CB 4.16Å; L822-L855 HydrophobicContact CD1-CD1 3.79Å; L822-F936 HydrophobicContact CB-CD2 3.7Å; L822-F936 HydrophobicContact CB-CE2 3.8Å; L822-F936 HydrophobicContact CB-CG 4.3Å; L822-F936 HydrophobicContact CB-CZ 4.46Å; L822-F936 HydrophobicContact CD2-CE2 4.46Å; L822-F936 HydrophobicContact CD2-CZ 4.39Å |
| 823 | T | 78.3 | Confident | 75.1 | Confident | 24 Ų | 24 | 14.3 Ų | 14.3 | 15% | 0.147 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.4 | -43.3 | 178.8 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | G819 E820 S825 T826 C827 A935 F936 A939 | G819-T823 PolarHBondContact O-N 3.1Å; G819-T823 PolarHBondContact O-OG1 3.3Å; E820-T823 PolarHBondContact O-OG1 2.85Å; E820-T823 VanDerWaalsContact O-OG1 3.11Å; T823-S825 VanDerWaalsContact C-N 3.25Å; T823-S825 PolarHBondContact O-N 2.95Å; T823-T826 PolarHBondContact O-N 3.13Å; T823-T826 PolarHBondContact O-OG1 3.05Å; T823-T826 VanDerWaalsContact O-OG1 3.07Å; T823-C827 PolarHBondContact O-N 3.26Å; T823-C827 PolarHBondContact O-SG 3.22Å; T823-A935 HydrophobicContact CG2-CB 4.21Å; T823-F936 HydrophobicContact CG2-CB 4.36Å; T823-F936 HydrophobicContact CG2-CD2 4.38Å; T823-A939 HydrophobicContact CG2-CB 3.99Å |
| 824 | C | 76.8 | Confident | 73.7 | Confident | 5 Ų | 5 | 20.9 Ų | 20.9 | 3% | 0.034 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.6 | -40.7 | 174.4 | -68 | 0 | 0 | 0 | 0 | 111.1 | A761 E820 C827 L828 | A761-C824 HydrophobicContact CB-CB 4.03Å; E820-C824 WeakPolarHBondContact O-CB 3.32Å; E820-C824 PolarHBondContact O-N 2.78Å; E820-C824 PolarHBondContact O-SG 2.88Å; C824-C827 PolarHBondContact O-N 3.02Å; C824-L828 WeakPolarHBondContact O-CG 3.4Å; C824-L828 PolarHBondContact O-N 3.5Å; C824-L828 VanDerWaalsContact O-N 3.17Å |
| 825 | S | 77 | Confident | 72.1 | Confident | 3 Ų | 3 | 24.8 Ų | 24.8 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.6 | -40 | 179.8 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | V821 L822 T823 C827 L828 L829 | V821-S825 VanDerWaalsContact O-CB 3.27Å; V821-S825 WeakPolarHBondContact O-CB 3.28Å; V821-S825 PolarHBondContact O-N 3.07Å; V821-S825 PolarHBondContact O-OG 2.91Å; L822-S825 PolarHBondContact O-N 3.48Å; T823-S825 VanDerWaalsContact C-N 3.25Å; T823-S825 PolarHBondContact O-N 2.95Å; S825-C827 PolarHBondContact O-N 3.33Å; S825-L828 PolarHBondContact O-N 3.39Å; S825-L829 WeakPolarHBondContact O-CG 3.42Å; S825-L829 PolarHBondContact O-N 3.35Å |
| 826 | T | 72.8 | Confident | 70.2 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.6 | -37.6 | 175.2 | 33.8 | 0 | 0 | 0 | 0 | 113.2 | L822 T823 L828 L829 L830 W848 F936 I940 L945 | L822-T826 PolarHBondContact O-N 2.77Å; L822-T826 PolarHBondContact O-OG1 2.78Å; T823-T826 PolarHBondContact O-N 3.13Å; T823-T826 PolarHBondContact O-OG1 3.05Å; T823-T826 VanDerWaalsContact O-OG1 3.07Å; T826-L828 VanDerWaalsContact C-N 3.28Å; T826-L828 PolarHBondContact O-N 3.25Å; T826-L829 PolarHBondContact O-N 3.48Å; T826-L830 PolarHBondContact O-N 2.87Å; T826-W848 HydrophobicContact CG2-CH2 3.99Å; T826-W848 HydrophobicContact CG2-CZ3 3.89Å; T826-F936 HydrophobicContact CG2-CE2 3.63Å; T826-F936 HydrophobicContact CG2-CZ 4.21Å; T826-I940 HydrophobicContact CG2-CG1 4.26Å; T826-L945 HydrophobicContact CG2-CD1 3.92Å |
| 827 | C | 69 | Low | 68.5 | Low | 2 Ų | 2 | 31.4 Ų | 31.4 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.9 | -33.7 | 174.2 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | L543 T823 C824 S825 | L543-C827 HydrophobicContact CD1-CB 4.14Å; L543-C827 HydrophobicContact CD2-CB 4.17Å; L543-C827 HydrophobicContact CG-CB 4.24Å; T823-C827 PolarHBondContact O-N 3.26Å; T823-C827 PolarHBondContact O-SG 3.22Å; C824-C827 PolarHBondContact O-N 3.02Å; S825-C827 PolarHBondContact O-N 3.33Å |
| 828 | L | 69.3 | Low | 66.7 | Low | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.1 | -35.8 | 175.6 | -71.2 | 174.8 | 0 | 0 | 0 | 113.6 | A761 L764 F788 C824 S825 T826 L830 Y831 A832 I841 | A761-L828 HydrophobicContact CB-CD1 4.24Å; A761-L828 HydrophobicContact CB-CG 4.31Å; L764-L828 HydrophobicContact CB-CD2 3.83Å; L764-L828 HydrophobicContact CD1-CD1 4.03Å; L764-L828 HydrophobicContact CD1-CD2 3.68Å; L764-L828 HydrophobicContact CG-CD2 4.42Å; F788-L828 HydrophobicContact CD2-CD1 4.43Å; F788-L828 HydrophobicContact CE2-CD1 3.51Å; F788-L828 HydrophobicContact CZ-CD1 3.81Å; C824-L828 WeakPolarHBondContact O-CG 3.4Å; C824-L828 PolarHBondContact O-N 3.5Å; C824-L828 VanDerWaalsContact O-N 3.17Å; S825-L828 PolarHBondContact O-N 3.39Å; T826-L828 VanDerWaalsContact C-N 3.28Å; T826-L828 PolarHBondContact O-N 3.25Å; L828-L830 VanDerWaalsContact C-N 3.33Å; L828-L830 PolarHBondContact O-N 3.03Å; L828-Y831 WeakPolarHBondContact O-CB 3.34Å; L828-Y831 PolarHBondContact O-N 3.4Å; L828-A832 PolarHBondContact O-N 2.73Å; L828-I841 HydrophobicContact CB-CD1 4.09Å |
| 829 | L | 67.7 | Low | 65 | Low | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 174.5 | -73.5 | 170.6 | 0 | 0 | 0 | 111.9 | S825 T826 Y831 H833 I841 W848 L954 I958 | S825-L829 WeakPolarHBondContact O-CG 3.42Å; S825-L829 PolarHBondContact O-N 3.35Å; T826-L829 PolarHBondContact O-N 3.48Å; L829-Y831 PolarHBondContact O-N 2.9Å; L829-H833 PolarHBondContact O-N 3.34Å; L829-I841 HydrophobicContact CD2-CB 3.97Å; L829-I841 HydrophobicContact CD2-CD1 3.95Å; L829-I841 HydrophobicContact CD2-CG1 4.33Å; L829-I841 HydrophobicContact CD2-CG2 4.31Å; L829-I841 HydrophobicContact CG-CD1 4.27Å; L829-W848 HydrophobicContact CD1-CH2 3.76Å; L829-W848 HydrophobicContact CD1-CZ2 3.53Å; L829-W848 HydrophobicContact CG-CZ2 4.41Å; L829-L954 HydrophobicContact CD2-CD1 3.43Å; L829-L954 VanDerWaalsContact CD2-CD1 3.43Å; L829-L954 HydrophobicContact CD2-CG 4.22Å; L829-I958 HydrophobicContact CD1-CG1 4.48Å |
| 830 | L | 59.3 | Low | 63.4 | Low | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.7 | -39.4 | 171 | -85.1 | -164.9 | 0 | 0 | 0 | 112.8 | L535 T826 L828 H833 C943 L945 I948 | L535-L830 HydrophobicContact CD1-CD1 3.74Å; L535-L830 HydrophobicContact CD1-CD2 4.44Å; L535-L830 HydrophobicContact CD2-CB 4.31Å; L535-L830 HydrophobicContact CD2-CD1 4.14Å; L535-L830 HydrophobicContact CD2-CD2 4.26Å; L535-L830 HydrophobicContact CD2-CG 4.5Å; L535-L830 HydrophobicContact CG-CD1 3.9Å; T826-L830 PolarHBondContact O-N 2.87Å; L828-L830 VanDerWaalsContact C-N 3.33Å; L828-L830 PolarHBondContact O-N 3.03Å; L830-H833 WeakPolarHBondContact O-CB 3.48Å; L830-H833 PolarHBondContact O-N 3.45Å; L830-C943 HydrophobicContact CD1-CB 3.4Å; L830-C943 WeakPolarHBondContact CD1-SG 3.29Å; L830-C943 HydrophobicContact CD2-CB 4.3Å; L830-C943 HydrophobicContact CG-CB 3.89Å; L830-L945 HydrophobicContact CD2-CD2 3.76Å; L830-L945 HydrophobicContact CD2-CG 3.9Å; L830-L945 HydrophobicContact CG-CD2 4.47Å; L830-L945 HydrophobicContact CG-CG 4.38Å; L830-I948 HydrophobicContact CD2-CD1 3.34Å |
| 831 | Y | 59.9 | Low | 62.1 | Low | 40 Ų | 40 | 38.5 Ų | 38.5 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -73.1 | -40.8 | -170.9 | -155.5 | -124.4 | 0 | 0 | 0 | 111.5 | H536 L764 N768 L828 L829 H833 R834 | H536-Y831 AromaticContact CE1-CE2 3.48Å; H536-Y831 VanDerWaalsContact CE1-CE2 3.48Å; H536-Y831 WeakPolarHBondContact CE1-CE2 3.11Å; H536-Y831 AromaticContact CE1-CZ 3.58Å; H536-Y831 PolarHBondContact CE1-OH 3.34Å; H536-Y831 VanDerWaalsContact CE1-OH 3.28Å; H536-Y831 AromaticContact ND1-CD2 3.9Å; H536-Y831 AromaticContact ND1-CE2 3.11Å; H536-Y831 WeakPolarHBondContact ND1-CE2 3.19Å; H536-Y831 AromaticContact ND1-CZ 3.72Å; L764-Y831 WeakPolarHBondContact O-CE1 3.47Å; N768-Y831 HydrophobicContact CB-CE1 3.99Å; N768-Y831 WeakPolarHBondContact CB-OH 3.45Å; L828-Y831 WeakPolarHBondContact O-CB 3.34Å; L828-Y831 PolarHBondContact O-N 3.4Å; L829-Y831 PolarHBondContact O-N 2.9Å; Y831-H833 VanDerWaalsContact C-N 3.27Å; Y831-H833 PolarHBondContact O-N 3.05Å; Y831-R834 PolarHBondContact O-N 3.38Å |
| 832 | A | 60.4 | Low | 60.6 | Low | 16 Ų | 16 | 43.4 Ų | 43.4 | 13% | 0.132 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.5 | -38.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L828 R834 K835 I839 | L828-A832 PolarHBondContact O-N 2.73Å; A832-R834 VanDerWaalsContact C-N 3.26Å; A832-R834 PolarHBondContact O-N 3.29Å; A832-K835 VanDerWaalsContact O-O 3.1Å; A832-I839 HydrophobicContact CB-CB 3.87Å; A832-I839 HydrophobicContact CB-CD1 4.28Å; A832-I839 HydrophobicContact CB-CG1 4.46Å; A832-I839 HydrophobicContact CB-CG2 4.46Å |
| 833 | H | 58.1 | Low | 59.3 | Low | 80 Ų | 80 | 43.7 Ų | 43.7 | 37% | 0.37 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.7 | -22.9 | -178.7 | -165.5 | -72.5 | 0 | 0 | 0 | 114.1 | L829 L830 Y831 I948 L954 | L829-H833 PolarHBondContact O-N 3.34Å; L830-H833 WeakPolarHBondContact O-CB 3.48Å; L830-H833 PolarHBondContact O-N 3.45Å; Y831-H833 VanDerWaalsContact C-N 3.27Å; Y831-H833 PolarHBondContact O-N 3.05Å; H833-I948 WeakPolarHBondContact NE2-CG2 3.24Å; H833-L954 HydrophobicContact CB-CD2 4.21Å |
| 834 | R | 51.8 | Low | 58.6 | Low | 147 Ų | 147 | 48.6 Ų | 48.6 | 56% | 0.555 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -104.2 | -14 | -167.9 | -133.4 | -173.3 | -167.7 | -143.1 | -1.5 | 116.2 | Y831 A832 | Y831-R834 PolarHBondContact O-N 3.38Å; A832-R834 VanDerWaalsContact C-N 3.26Å; A832-R834 PolarHBondContact O-N 3.29Å |
| 835 | K | 51.3 | Low | 58 | Low | 81 Ų | 81 | 49.4 Ų | 49.4 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -113.5 | 131.1 | 162.8 | -74.2 | -163.9 | -179.8 | -172.2 | 0 | 108.2 | N768 A832 S837 | N768-K835 WeakPolarHBondContact OD1-CE 3.14Å; N768-K835 PolarHBondContact OD1-NZ 3.22Å; A832-K835 VanDerWaalsContact O-O 3.1Å; K835-S837 PolarHBondContact O-N 3.26Å; K835-S837 PolarHBondContact O-OG 3.05Å |
| 836 | S | 46 | Very low | 57.8 | Low | 141 Ų | 141 | 54.2 Ų | 54.2 | 99% | 0.986 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -73.5 | 55.1 | -176.3 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | ||
| 837 | S | 45.6 | Very low | 57.8 | Low | 58 Ų | 58 | 55.3 Ų | 55.3 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -137.7 | 134.7 | -171.8 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | K835 I839 | K835-S837 PolarHBondContact O-N 3.26Å; K835-S837 PolarHBondContact O-OG 3.05Å; S837-I839 PolarHBondContact O-N 3.49Å |
| 838 | T | 44.7 | Very low | 57.9 | Low | 97 Ų | 97 | 55.4 Ų | 55.4 | 60% | 0.595 | 30% | 0.297 | S | S | * | . | trans | -69 | 93.7 | -167.1 | 45.3 | 0 | 0 | 0 | 0 | 113.8 | S781 | S781-T838 PolarHBondContact OG-O 2.94Š| ||
| 839 | I | 51.2 | Low | 58.2 | Low | 36 Ų | 36 | 57.9 Ų | 57.9 | 19% | 0.185 | 31% | 0.308 | C | S | . | . | trans | -103.7 | 87.6 | 156.2 | -49.6 | 178.7 | 0 | 0 | 0 | 107.1 | A832 S837 I841 | A832-I839 HydrophobicContact CB-CB 3.87Å; A832-I839 HydrophobicContact CB-CD1 4.28Å; A832-I839 HydrophobicContact CB-CG1 4.46Å; A832-I839 HydrophobicContact CB-CG2 4.46Å; S837-I839 PolarHBondContact O-N 3.49Å; I839-I841 HydrophobicContact CG2-CD1 4.43Å; I839-I841 HydrophobicContact CG2-CG1 3.92Å; I839-I841 PolarHBondContact O-N 2.89Å; I839-I841 VanDerWaalsContact O-N 3.12Å | ||
| 840 | S | 47.4 | Very low | 58.8 | Low | 44 Ų | 44 | 59.9 Ų | 59.9 | 31% | 0.308 | 32% | 0.321 | S | S | . | . | trans | -78.9 | 94.5 | 173.7 | 67.8 | 0 | 0 | 0 | 0 | 109.5 | D842 | S840-D842 WeakPolarHBondContact CB-OD2 3.5Å; S840-D842 PolarHBondContact O-N 3.41Å; S840-D842 PolarHBondContact OG-OD2 3.45Å | ||
| 841 | I | 53.3 | Low | 59.7 | Low | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | trans | -77.7 | 77.4 | 167.1 | -51.3 | -170.6 | 0 | 0 | 0 | 107 | L828 L829 I839 T843 | L828-I841 HydrophobicContact CB-CD1 4.09Å; L829-I841 HydrophobicContact CD2-CB 3.97Å; L829-I841 HydrophobicContact CD2-CD1 3.95Å; L829-I841 HydrophobicContact CD2-CG1 4.33Å; L829-I841 HydrophobicContact CD2-CG2 4.31Å; L829-I841 HydrophobicContact CG-CD1 4.27Å; I839-I841 HydrophobicContact CG2-CD1 4.43Å; I839-I841 HydrophobicContact CG2-CG1 3.92Å; I839-I841 PolarHBondContact O-N 2.89Å; I839-I841 VanDerWaalsContact O-N 3.12Å; I841-T843 HydrophobicContact CG2-CG2 3.94Å; I841-T843 PolarHBondContact O-N 2.89Å; I841-T843 PolarHBondContact O-OG1 2.83Å | ||
| 842 | D | 50.7 | Low | 60.6 | Low | 102 Ų | 102 | 57.9 Ų | 57.9 | 55% | 0.545 | 31% | 0.313 | S | S | . | . | trans | -72.4 | 33 | -177.5 | -63.4 | -51.5 | 0 | 0 | 0 | 113.2 | S840 Q844 | S840-D842 WeakPolarHBondContact CB-OD2 3.5Å; S840-D842 PolarHBondContact O-N 3.41Å; S840-D842 PolarHBondContact OG-OD2 3.45Å; D842-Q844 PolarHBondContact O-N 2.89Å | ||
| 843 | T | 55.6 | Low | 61.6 | Low | 7 Ų | 7 | 62.1 Ų | 62.1 | 4% | 0.043 | 33% | 0.33 | C | S | . | . | trans | -62 | 113.2 | 159.1 | 48.5 | 0 | 0 | 0 | 0 | 108.9 | I841 A845 W848 S957 | I841-T843 HydrophobicContact CG2-CG2 3.94Å; I841-T843 PolarHBondContact O-N 2.89Å; I841-T843 PolarHBondContact O-OG1 2.83Å; T843-A845 PolarHBondContact O-N 3.5Å; T843-W848 VanDerWaalsContact CB-NE1 3.34Å; T843-W848 PolarHBondContact OG1-NE1 2.88Å; T843-S957 PolarHBondContact O-OG 3.01Å | ||
| 844 | Q | 63.1 | Low | 62.7 | Low | 127 Ų | 127 | 59.8 Ų | 59.8 | 59% | 0.593 | 32% | 0.319 | S | S | * | . | trans | -57.4 | 137.4 | 172.8 | -64.9 | 176.5 | -11.4 | 0 | 0 | 109.4 | D842 I846 Q847 | D842-Q844 PolarHBondContact O-N 2.89Å; Q844-I846 PolarHBondContact O-N 3Å; Q844-Q847 HydrophobicContact CB-CG 4.32Å; Q844-Q847 WeakPolarHBondContact O-CB 3.26Å; Q844-Q847 PolarHBondContact O-N 3.18Å | ||
| 845 | A | 64.2 | Low | 64.1 | Low | 22 Ų | 22 | 52.8 Ų | 52.8 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -50.1 | -36.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T843 Q847 W848 Q849 S957 | T843-A845 PolarHBondContact O-N 3.5Å; A845-Q847 VanDerWaalsContact C-N 3.26Å; A845-Q847 PolarHBondContact O-N 3.45Å; A845-W848 WeakPolarHBondContact O-CB 3.18Å; A845-W848 PolarHBondContact O-N 3.1Å; A845-W848 VanDerWaalsContact O-N 3.13Å; A845-Q849 WeakPolarHBondContact O-CG 3.25Å; A845-Q849 PolarHBondContact O-N 3.34Å; A845-S957 WeakPolarHBondContact CA-OG 3.1Å; A845-S957 PolarHBondContact N-OG 3.02Å |
| 846 | I | 72.6 | Confident | 65.4 | Low | 104 Ų | 104 | 49.4 Ų | 49.4 | 53% | 0.533 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.1 | -34.9 | 175.7 | -62.8 | 170.1 | 0 | 0 | 0 | 112.7 | Q844 T850 | Q844-I846 PolarHBondContact O-N 3Å; I846-T850 HydrophobicContact CG2-CG2 4.28Å; I846-T850 WeakPolarHBondContact O-CB 3.4Å; I846-T850 WeakPolarHBondContact O-CG2 3.18Å; I846-T850 PolarHBondContact O-N 2.85Å; I846-T850 PolarHBondContact O-OG1 3.43Å |
| 847 | Q | 72.2 | Confident | 67.1 | Low | 28 Ų | 28 | 51.2 Ų | 51.2 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 177.8 | -65.7 | 177.5 | -31.4 | 0 | 0 | 111.4 | S789 L792 T793 Q844 A845 T850 A851 | S789-Q847 PolarHBondContact OG-NE2 2.82Å; S789-Q847 PolarHBondContact OG-OE1 3.46Å; L792-Q847 HydrophobicContact CD2-CB 4.04Å; T793-Q847 HydrophobicContact CG2-CG 4.4Å; Q844-Q847 HydrophobicContact CB-CG 4.32Å; Q844-Q847 WeakPolarHBondContact O-CB 3.26Å; Q844-Q847 PolarHBondContact O-N 3.18Å; A845-Q847 VanDerWaalsContact C-N 3.26Å; A845-Q847 PolarHBondContact O-N 3.45Å; Q847-T850 WeakPolarHBondContact CA-OG1 2.9Å; Q847-T850 PolarHBondContact O-OG1 3.11Å; Q847-A851 WeakPolarHBondContact O-CB 3.3Å; Q847-A851 PolarHBondContact O-N 2.98Å |
| 848 | W | 71.4 | Confident | 68.7 | Low | 5 Ų | 5 | 49.3 Ų | 49.3 | 2% | 0.019 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -49.1 | 173.9 | -71.8 | 87.9 | 0 | 0 | 0 | 111.5 | L822 T826 L829 T843 A845 T850 A851 V852 F936 C961 | L822-W848 HydrophobicContact CD2-CD2 4.31Å; L822-W848 HydrophobicContact CD2-CE3 3.47Å; L822-W848 VanDerWaalsContact CD2-CE3 3.47Å; L822-W848 HydrophobicContact CD2-CH2 4.46Å; L822-W848 HydrophobicContact CD2-CZ3 3.56Å; T826-W848 HydrophobicContact CG2-CH2 3.99Å; T826-W848 HydrophobicContact CG2-CZ3 3.89Å; L829-W848 HydrophobicContact CD1-CH2 3.76Å; L829-W848 HydrophobicContact CD1-CZ2 3.53Å; L829-W848 HydrophobicContact CG-CZ2 4.41Å; T843-W848 VanDerWaalsContact CB-NE1 3.34Å; T843-W848 PolarHBondContact OG1-NE1 2.88Å; A845-W848 WeakPolarHBondContact O-CB 3.18Å; A845-W848 PolarHBondContact O-N 3.1Å; A845-W848 VanDerWaalsContact O-N 3.13Å; W848-T850 VanDerWaalsContact C-N 3.33Å; W848-T850 PolarHBondContact O-N 3.17Å; W848-A851 PolarHBondContact O-N 3.08Å; W848-V852 WeakPolarHBondContact O-CB 3.4Å; W848-V852 WeakPolarHBondContact O-CG2 3.29Å; W848-V852 PolarHBondContact O-N 3.11Å; W848-F936 HydrophobicContact CE3-CE2 4.42Å; W848-F936 AromaticContact CE3-CZ 3.94Å; W848-F936 HydrophobicContact CE3-CZ 3.94Å; W848-F936 AromaticContact CZ3-CE2 3.78Å; W848-F936 HydrophobicContact CZ3-CE2 3.78Å; W848-F936 AromaticContact CZ3-CZ 3.74Å; W848-F936 HydrophobicContact CZ3-CZ 3.74Å; W848-C961 HydrophobicContact CB-CB 4.28Å |
| 849 | Q | 75.4 | Confident | 70.3 | Confident | 59 Ų | 59 | 44.7 Ų | 44.7 | 28% | 0.276 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.5 | -45 | 177 | -65.1 | -164.3 | -58.7 | 0 | 0 | 112.2 | A845 V852 H853 S960 S964 | A845-Q849 WeakPolarHBondContact O-CG 3.25Å; A845-Q849 PolarHBondContact O-N 3.34Å; Q849-V852 PolarHBondContact O-N 2.68Å; Q849-H853 VanDerWaalsContact O-CB 3.31Å; Q849-H853 WeakPolarHBondContact O-CB 3.3Å; Q849-H853 PolarHBondContact O-CD2 2.9Å; Q849-H853 PolarHBondContact O-N 3.36Å; Q849-S960 WeakPolarHBondContact CG-OG 3.17Å; Q849-S960 PolarHBondContact NE2-O 3.5Å; Q849-S960 PolarHBondContact NE2-OG 3.06Å; Q849-S960 PolarHBondContact OE1-OG 3.08Å; Q849-S964 WeakPolarHBondContact CB-OG 3.28Å; Q849-S964 VanDerWaalsContact CG-OG 3.24Å; Q849-S964 WeakPolarHBondContact CG-OG 3.33Å; Q849-S964 PolarHBondContact NE2-OG 3.29Å |
| 850 | T | 80.1 | Confident | 71.1 | Confident | 47 Ų | 47 | 43.4 Ų | 43.4 | 29% | 0.288 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.7 | -37.8 | -179 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | I846 Q847 W848 H853 H854 | I846-T850 HydrophobicContact CG2-CG2 4.28Å; I846-T850 WeakPolarHBondContact O-CB 3.4Å; I846-T850 WeakPolarHBondContact O-CG2 3.18Å; I846-T850 PolarHBondContact O-N 2.85Å; I846-T850 PolarHBondContact O-OG1 3.43Å; Q847-T850 WeakPolarHBondContact CA-OG1 2.9Å; Q847-T850 PolarHBondContact O-OG1 3.11Å; W848-T850 VanDerWaalsContact C-N 3.33Å; W848-T850 PolarHBondContact O-N 3.17Å; T850-H853 PolarHBondContact O-N 3.04Å; T850-H854 WeakPolarHBondContact O-CB 3.48Å; T850-H854 PolarHBondContact O-CD2 3.47Å; T850-H854 PolarHBondContact O-N 2.83Å |
| 851 | A | 78.8 | Confident | 71.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.6 | -49.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L792 I796 L818 L822 Q847 W848 H854 L855 | L792-A851 HydrophobicContact CD1-CB 4.48Å; L792-A851 HydrophobicContact CD2-CB 3.96Å; L792-A851 HydrophobicContact CG-CB 4.28Å; I796-A851 HydrophobicContact CD1-CB 4.05Å; I796-A851 HydrophobicContact CG1-CB 4.49Å; L818-A851 HydrophobicContact CD1-CB 4.11Å; L818-A851 HydrophobicContact CD2-CB 4.29Å; L818-A851 HydrophobicContact CG-CB 4.48Å; L822-A851 HydrophobicContact CD1-CB 4.15Å; L822-A851 HydrophobicContact CD2-CB 4.16Å; Q847-A851 WeakPolarHBondContact O-CB 3.3Å; Q847-A851 PolarHBondContact O-N 2.98Å; W848-A851 PolarHBondContact O-N 3.08Å; A851-H854 PolarHBondContact O-N 3.3Å; A851-L855 PolarHBondContact O-N 3.22Å |
| 852 | V | 78.7 | Confident | 71.4 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -45.5 | 178.6 | 170.9 | 0 | 0 | 0 | 0 | 111.4 | W848 Q849 H854 L855 I856 F936 I965 | W848-V852 WeakPolarHBondContact O-CB 3.4Å; W848-V852 WeakPolarHBondContact O-CG2 3.29Å; W848-V852 PolarHBondContact O-N 3.11Å; Q849-V852 PolarHBondContact O-N 2.68Å; V852-H854 VanDerWaalsContact C-N 3.31Å; V852-H854 PolarHBondContact O-N 2.89Å; V852-L855 PolarHBondContact O-N 3.28Å; V852-I856 HydrophobicContact CG1-CD1 3.65Å; V852-I856 HydrophobicContact CG1-CG1 4.44Å; V852-I856 VanDerWaalsContact O-CG1 3.31Å; V852-I856 WeakPolarHBondContact O-CG1 3.49Å; V852-I856 PolarHBondContact O-N 3.35Å; V852-F936 HydrophobicContact CG2-CD1 4.19Å; V852-F936 HydrophobicContact CG2-CE1 3.57Å; V852-F936 HydrophobicContact CG2-CZ 4.45Å; V852-I965 HydrophobicContact CG1-CG1 3.79Å |
| 853 | H | 80.8 | Confident | 70.7 | Confident | 106 Ų | 106 | 45 Ų | 45 | 49% | 0.491 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.6 | -35.6 | 175.4 | -86.7 | -144.8 | 0 | 0 | 0 | 112.7 | Q849 T850 R857 | Q849-H853 VanDerWaalsContact O-CB 3.31Å; Q849-H853 WeakPolarHBondContact O-CB 3.3Å; Q849-H853 PolarHBondContact O-CD2 2.9Å; Q849-H853 PolarHBondContact O-N 3.36Å; T850-H853 PolarHBondContact O-N 3.04Å; H853-R857 WeakPolarHBondContact O-CB 3.25Å; H853-R857 PolarHBondContact O-N 2.83Å |
| 854 | H | 81.4 | Confident | 69.3 | Low | 31 Ų | 31 | 49.8 Ų | 49.8 | 14% | 0.144 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 175.1 | -80.2 | -61 | 0 | 0 | 0 | 112.5 | R800 T850 A851 V852 R857 L858 | R800-H854 PolarHBondContact NE-NE2 3.44Å; T850-H854 WeakPolarHBondContact O-CB 3.48Å; T850-H854 PolarHBondContact O-CD2 3.47Å; T850-H854 PolarHBondContact O-N 2.83Å; A851-H854 PolarHBondContact O-N 3.3Å; V852-H854 VanDerWaalsContact C-N 3.31Å; V852-H854 PolarHBondContact O-N 2.89Å; H854-R857 PolarHBondContact O-N 3.07Å; H854-L858 WeakPolarHBondContact O-CB 3.38Å; H854-L858 VanDerWaalsContact O-CG 3.31Å; H854-L858 WeakPolarHBondContact O-CG 3.46Å; H854-L858 PolarHBondContact O-N 2.94Å |
| 855 | L | 81 | Confident | 67.6 | Low | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 172.1 | -72.7 | 175.8 | 0 | 0 | 0 | 111.2 | V815 L818 L822 A851 V852 R857 L858 V859 A929 | V815-L855 HydrophobicContact CG1-CD2 4Å; L818-L855 HydrophobicContact CD2-CD1 4.49Å; L818-L855 HydrophobicContact CD2-CD2 4.18Å; L818-L855 HydrophobicContact CD2-CG 4.04Å; L822-L855 HydrophobicContact CD1-CD1 3.79Å; A851-L855 PolarHBondContact O-N 3.22Å; V852-L855 PolarHBondContact O-N 3.28Å; L855-R857 PolarHBondContact O-N 3.05Å; L855-L858 PolarHBondContact O-N 3.4Å; L855-V859 WeakPolarHBondContact O-CG2 3.44Å; L855-V859 PolarHBondContact O-N 3.06Å; L855-A929 HydrophobicContact CD2-CB 4.33Å |
| 856 | I | 79.2 | Confident | 65.7 | Low | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.051 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 177.4 | -65.9 | 164.5 | 0 | 0 | 0 | 110.9 | V852 L858 V859 T860 L933 I970 | V852-I856 HydrophobicContact CG1-CD1 3.65Å; V852-I856 HydrophobicContact CG1-CG1 4.44Å; V852-I856 VanDerWaalsContact O-CG1 3.31Å; V852-I856 WeakPolarHBondContact O-CG1 3.49Å; V852-I856 PolarHBondContact O-N 3.35Å; I856-L858 VanDerWaalsContact C-N 3.32Å; I856-L858 PolarHBondContact O-N 3.13Å; I856-V859 PolarHBondContact O-N 3.41Å; I856-T860 HydrophobicContact CG2-CG2 4.14Å; I856-T860 WeakPolarHBondContact O-CB 3.44Å; I856-T860 WeakPolarHBondContact O-CG2 3.32Å; I856-T860 PolarHBondContact O-N 2.91Å; I856-T860 PolarHBondContact O-OG1 3.29Å; I856-L933 HydrophobicContact CG1-CD1 4.36Å; I856-L933 HydrophobicContact CG1-CD2 4Å; I856-I970 HydrophobicContact CD1-CD1 3.75Å; I856-I970 HydrophobicContact CD1-CG1 4.03Å; I856-I970 HydrophobicContact CD1-CG2 3.91Å; I856-I970 HydrophobicContact CG1-CG2 4.36Å; I856-I970 HydrophobicContact CG2-CG1 4.39Å; I856-I970 HydrophobicContact CG2-CG2 4.26Å |
| 857 | R | 81.3 | Confident | 63.5 | Low | 178 Ų | 178 | 56.6 Ų | 56.6 | 67% | 0.672 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.6 | -39.7 | 177.6 | -171.2 | 172.7 | -175.9 | 168.3 | 1 | 111.6 | H853 H854 L855 T860 S861 | H853-R857 WeakPolarHBondContact O-CB 3.25Å; H853-R857 PolarHBondContact O-N 2.83Å; H854-R857 PolarHBondContact O-N 3.07Å; L855-R857 PolarHBondContact O-N 3.05Å; R857-T860 PolarHBondContact O-N 2.88Å; R857-S861 WeakPolarHBondContact O-CB 3.36Å; R857-S861 PolarHBondContact O-N 2.97Å; R857-S861 PolarHBondContact O-OG 3.26Å; R857-S861 VanDerWaalsContact O-OG 3.11Å |
| 858 | L | 80.4 | Confident | 61.4 | Low | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.5 | -34.8 | 174.4 | -73 | 168 | 0 | 0 | 0 | 113.1 | I799 V815 H854 L855 I856 I925 R926 A929 | I799-L858 HydrophobicContact CG2-CD1 3.89Å; V815-L858 HydrophobicContact CG2-CD1 3.46Å; V815-L858 VanDerWaalsContact CG2-CD1 3.46Å; H854-L858 WeakPolarHBondContact O-CB 3.38Å; H854-L858 VanDerWaalsContact O-CG 3.31Å; H854-L858 WeakPolarHBondContact O-CG 3.46Å; H854-L858 PolarHBondContact O-N 2.94Å; L855-L858 PolarHBondContact O-N 3.4Å; I856-L858 VanDerWaalsContact C-N 3.32Å; I856-L858 PolarHBondContact O-N 3.13Å; L858-I925 HydrophobicContact CD2-CG2 4.31Å; L858-R926 WeakPolarHBondContact O-CG 3.44Å; L858-A929 HydrophobicContact CB-CB 3.7Å; L858-A929 HydrophobicContact CD1-CB 4.37Å |
| 859 | V | 76.6 | Confident | 59.2 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -69.4 | -40.7 | 173.2 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | L855 I856 R926 A929 L974 | L855-V859 WeakPolarHBondContact O-CG2 3.44Å; L855-V859 PolarHBondContact O-N 3.06Å; I856-V859 PolarHBondContact O-N 3.41Å; V859-R926 VanDerWaalsContact O-CZ 3.31Å; V859-R926 PolarHBondContact O-NE 2.96Å; V859-R926 PolarHBondContact O-NH2 3.43Å; V859-A929 HydrophobicContact CG2-CB 3.77Å; V859-L974 HydrophobicContact CB-CD2 4.46Å; V859-L974 HydrophobicContact CG1-CD2 3.67Å |
| 860 | T | 68.6 | Low | 56.7 | Low | 10 Ų | 10 | 72.5 Ų | 72.5 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -92.2 | -17.4 | -168.7 | 54.4 | 0 | 0 | 0 | 0 | 115 | I856 R857 T862 R973 Q977 | I856-T860 HydrophobicContact CG2-CG2 4.14Å; I856-T860 WeakPolarHBondContact O-CB 3.44Å; I856-T860 WeakPolarHBondContact O-CG2 3.32Å; I856-T860 PolarHBondContact O-N 2.91Å; I856-T860 PolarHBondContact O-OG1 3.29Å; R857-T860 PolarHBondContact O-N 2.88Å; T860-T862 PolarHBondContact O-N 3.23Å; T860-R973 HydrophobicContact CG2-CB 3.62Å; T860-Q977 PolarHBondContact O-NE2 3.33Å; T860-Q977 PolarHBondContact O-OE1 2.83Å |
| 861 | S | 61.5 | Low | 54 | Low | 42 Ų | 42 | 73 Ų | 73 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | trans | -72.8 | 94.1 | -179.2 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | R857 | R857-S861 WeakPolarHBondContact O-CB 3.36Å; R857-S861 PolarHBondContact O-N 2.97Å; R857-S861 PolarHBondContact O-OG 3.26Å; R857-S861 VanDerWaalsContact O-OG 3.11Å | ||
| 862 | T | 46.3 | Very low | 51.5 | Low | 53 Ų | 53 | 78.3 Ų | 78.3 | 33% | 0.325 | 46% | 0.458 | S | S | . | . | trans | -83.7 | 98.9 | 155.9 | 34.4 | 0 | 0 | 0 | 0 | 109.6 | T860 S864 Q977 | T860-T862 PolarHBondContact O-N 3.23Å; T862-S864 VanDerWaalsContact C-N 3.29Å; T862-S864 PolarHBondContact O-N 3.02Å; T862-Q977 PolarHBondContact OG1-NE2 3.32Å | ||
| 863 | T | 35.7 | Very low | 48.9 | Very low | 99 Ų | 99 | 85.6 Ų | 85.6 | 61% | 0.607 | 50% | 0.497 | S | S | * | . | trans | -71.6 | 86.3 | 164.9 | 31.5 | 0 | 0 | 0 | 0 | 109.1 | I865 | T863-I865 PolarHBondContact O-N 3.35Š| ||
| 864 | S | 27.3 | Very low | 46.3 | Very low | 107 Ų | 107 | 86.5 Ų | 86.5 | 75% | 0.748 | 52% | 0.515 | S | S | * | . | trans | -67.5 | 90.8 | 178 | 41.5 | 0 | 0 | 0 | 0 | 111.8 | T862 | T862-S864 VanDerWaalsContact C-N 3.29Å; T862-S864 PolarHBondContact O-N 3.02Å | ||
| 865 | I | 26.7 | Very low | 43.9 | Very low | 155 Ų | 155 | 88.5 Ų | 88.5 | 80% | 0.795 | 54% | 0.537 | S | S | * | . | trans | -100.3 | 89.8 | 159 | -58.6 | -177.4 | 0 | 0 | 0 | 107.7 | T863 T867 | T863-I865 PolarHBondContact O-N 3.35Å; I865-T867 PolarHBondContact O-N 3.43Å | ||
| 866 | S | 24.6 | Very low | 41.3 | Very low | 101 Ų | 101 | 95.3 Ų | 95.3 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | trans | -74.3 | 114.1 | 171.9 | 37.1 | 0 | 0 | 0 | 0 | 110.7 | S868 | S866-S868 PolarHBondContact O-N 2.93Š| ||
| 867 | T | 26.2 | Very low | 38.9 | Very low | 140 Ų | 140 | 101.6 Ų | 101.6 | 86% | 0.859 | 61% | 0.607 | S | S | * | * | trans | -85 | 84 | 160.9 | 51.6 | 0 | 0 | 0 | 0 | 108.9 | I865 | I865-T867 PolarHBondContact O-N 3.43Š| ||
| 868 | S | 26.7 | Very low | 36.4 | Very low | 92 Ų | 92 | 101.5 Ų | 101.5 | 64% | 0.643 | 62% | 0.615 | S | S | * | * | trans | -76.4 | 124.9 | 179.9 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | S866 | S866-S868 PolarHBondContact O-N 2.93Š| ||
| 869 | N | 25.2 | Very low | 34 | Very low | 163 Ų | 163 | 105.2 Ų | 105.2 | 87% | 0.872 | 64% | 0.639 | S | S | * | * | trans | -153.8 | 116.1 | 154.9 | -93.4 | -26.1 | 0 | 0 | 0 | 105.1 | ||||
| 870 | L | 23.2 | Very low | 31.6 | Very low | 171 Ų | 171 | 111 Ų | 111 | 90% | 0.895 | 68% | 0.675 | S | S | * | * | S | Bend | cis | -98.7 | 167.9 | 2.1 | -59.2 | 74.8 | 0 | 0 | 0 | 110.2 | ||
| 871 | G | 24.2 | Very low | 29.6 | Very low | 56 Ų | 56 | 115.7 Ų | 115.7 | 58% | 0.577 | 71% | 0.708 | S | S | * | * | cis | 147.8 | 121.9 | -7.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 872 | S | 25.3 | Very low | 27.9 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | 65.5 | 156.6 | -179.7 | 80.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 873 | N | 24.8 | Very low | 26.9 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | cis | -166.8 | 163.4 | -27.2 | -100.2 | -13.2 | 0 | 0 | 0 | 107.8 | ||||
| 874 | S | 26.5 | Very low | 26.5 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | 72.1 | 138 | 167.7 | -159.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 875 | A | 30 | Very low | 26.5 | Very low | 73 Ų | 73 | 127.3 Ų | 127.3 | 60% | 0.603 | 76% | 0.762 | S | S | * | * | cis | -163.3 | 151.6 | -15 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 876 | N | 27.2 | Very low | 26.6 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | 54.4 | 143.7 | 139.6 | -56.6 | 0.7 | 0 | 0 | 0 | 123.8 | ||||
| 877 | N | 29.7 | Very low | 26.7 | Very low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 73.9 | 117.4 | 164.1 | -49.6 | -15.8 | 0 | 0 | 0 | 116.1 | ||||
| 878 | E | 27 | Very low | 26.9 | Very low | 177 Ų | 177 | 129 Ų | 129 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | 81.9 | 148.1 | 50.9 | -78.1 | -150.1 | 154.8 | 0 | 0 | 115.4 | |||||
| 879 | P | 30.3 | Very low | 26.9 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 62% | 0.617 | 78% | 0.778 | S | S | * | * | cis | -141.5 | 170.2 | -9.8 | 32 | -9.6 | 0 | 0 | 0 | 118.4 | ||||
| 880 | T | 26.6 | Very low | 27.2 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 68.8 | 128.5 | 140.4 | 47.8 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 881 | S | 26.2 | Very low | 27.5 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 78.5 | 147.8 | 136.9 | 80.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 882 | I | 25.6 | Very low | 27.5 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | cis | -137.7 | 154.8 | 18.1 | -77.8 | 179.2 | 0 | 0 | 0 | 111.6 | ||||
| 883 | L | 27 | Very low | 27.6 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 79.9 | 92.4 | 164.3 | -83.2 | 161.8 | 0 | 0 | 0 | 120.1 | ||||
| 884 | D | 25.4 | Very low | 28 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -79.3 | 162.9 | 159.5 | -52.9 | -86.2 | 0 | 0 | 0 | 113.8 | ||||
| 885 | A | 28.7 | Very low | 27.8 | Very low | 79 Ų | 79 | 137.2 Ų | 137.2 | 65% | 0.653 | 77% | 0.774 | S | S | * | * | trans | 173.6 | 152.8 | 136.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 886 | F | 27.8 | Very low | 28 | Very low | 193 Ų | 193 | 139.1 Ų | 139.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | 76.8 | 54.6 | 168.7 | -59.7 | -72.9 | 0 | 0 | 0 | 118.2 | ||||
| 887 | D | 27.2 | Very low | 27.9 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | 26.4 | 144.8 | 116 | -56.8 | -73.2 | 0 | 0 | 0 | 122.4 | |||||
| 888 | G | 29.7 | Very low | 27.8 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 164.5 | 92.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 889 | A | 28 | Very low | 27.7 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -70.2 | 176.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 890 | A | 30 | Very low | 27.6 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 63% | 0.628 | 79% | 0.794 | S | S | * | * | cis | -163.4 | -179.2 | 15 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 891 | I | 30.6 | Very low | 27.4 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 82% | 0.821 | 80% | 0.796 | S | S | * | * | trans | 63.2 | 113 | 151.3 | -64 | 161.4 | 0 | 0 | 0 | 115.6 | ||||
| 892 | R | 23.5 | Very low | 27.3 | Very low | 224 Ų | 224 | 141.7 Ų | 141.7 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | cis | 65.6 | 138.5 | 29.9 | -77.6 | -165.7 | 179.8 | -172.4 | 1.9 | 116.5 | ||||
| 893 | N | 28.1 | Very low | 27.2 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | 76 | 143.4 | -180 | -39.8 | -16.6 | 0 | 0 | 0 | 113.2 | ||||
| 894 | L | 31.9 | Very low | 27.1 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | cis | -130.1 | 136.2 | -7.8 | -76.4 | 97.7 | 0 | 0 | 0 | 107.7 | ||||
| 895 | E | 23.7 | Very low | 27.1 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | 74 | 143.2 | 85.4 | -102.9 | -166 | 143.4 | 0 | 0 | 117.5 | |||||
| 896 | P | 33 | Very low | 26.8 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -120.4 | 162.2 | -166.4 | 42.6 | -31 | 0 | 0 | 0 | 116.2 | ||||
| 897 | T | 26.7 | Very low | 26.6 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -145.3 | 122.6 | 170.4 | 53.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 898 | L | 25.8 | Very low | 26.5 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | 45.9 | 134 | 140.7 | -68.7 | 97.6 | 0 | 0 | 0 | 124.2 | ||||
| 899 | G | 26.9 | Very low | 26.1 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 94.1 | 155.3 | 139.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 900 | S | 26.2 | Very low | 26 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | cis | -162.7 | 145.9 | -14.6 | -165.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 901 | R | 24.1 | Very low | 25.6 | Very low | 213 Ų | 213 | 146.2 Ų | 146.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 27.5 | 132.3 | 150.6 | -76 | 178.4 | 168 | 168 | -4.3 | 122.2 | ||||
| 902 | N | 24.3 | Very low | 25.3 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 71 | 154.7 | 133.6 | -61.1 | 14.6 | 0 | 0 | 0 | 118.2 | ||||
| 903 | S | 23.4 | Very low | 25.3 | Very low | 85 Ų | 85 | 141.8 Ų | 141.8 | 59% | 0.594 | 79% | 0.79 | S | S | * | * | cis | -177.1 | 160.9 | -16.1 | 49.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 904 | F | 23.4 | Very low | 25.1 | Very low | 207 Ų | 207 | 138.3 Ų | 138.3 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | trans | 69.9 | 158.7 | 163.9 | -68.4 | -73.3 | 0 | 0 | 0 | 119.8 | ||||
| 905 | G | 26.3 | Very low | 24.9 | Very low | 66 Ų | 66 | 137.6 Ų | 137.6 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | 92 | 86.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 906 | N | 23.3 | Very low | 25 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | 67.7 | 133 | 67.9 | -79.9 | 45.4 | 0 | 0 | 0 | 116.6 | |||||
| 907 | E | 23.6 | Very low | 24.8 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 71.2 | 107.9 | 150.8 | -73.5 | 144.8 | -125.3 | 0 | 0 | 122.1 | ||||
| 908 | E | 23.2 | Very low | 25.5 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | 85.3 | 126.5 | 124.3 | -68.3 | -158.5 | -177.7 | 0 | 0 | 124.4 | |||||
| 909 | N | 22.8 | Very low | 26.9 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 57.9 | 97.8 | 132.8 | -62.3 | -33.6 | 0 | 0 | 0 | 120.8 | ||||
| 910 | S | 24.3 | Very low | 28.6 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | 175.3 | 165.2 | 113.2 | 47 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 911 | H | 23.4 | Very low | 30.9 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 85% | 0.852 | 72% | 0.721 | S | S | * | * | trans | -81.6 | 136.2 | 178.4 | -60.1 | -91.5 | 0 | 0 | 0 | 112.6 | ||||
| 912 | T | 23.2 | Very low | 33.3 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 89% | 0.89 | 70% | 0.703 | S | S | * | * | trans | -170.8 | 175.8 | 137.6 | 13.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 913 | T | 23.5 | Very low | 35.6 | Very low | 146 Ų | 146 | 119.1 Ų | 119.1 | 90% | 0.896 | 68% | 0.677 | S | S | * | * | trans | -78.5 | 139.8 | -170.1 | 43.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 914 | G | 25.2 | Very low | 38.2 | Very low | 75 Ų | 75 | 116.7 Ų | 116.7 | 77% | 0.773 | 66% | 0.656 | S | S | * | * | trans | -139.6 | 143.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 915 | T | 26.3 | Very low | 41 | Very low | 133 Ų | 133 | 107 Ų | 107 | 82% | 0.816 | 61% | 0.614 | S | S | * | * | trans | -98.2 | 125.4 | -172.6 | 45.9 | 0 | 0 | 0 | 0 | 113.4 | N917 | T915-N917 PolarHBondContact O-N 3.43Š| ||
| 916 | V | 26.7 | Very low | 43.7 | Very low | 132 Ų | 132 | 105.6 Ų | 105.6 | 80% | 0.8 | 59% | 0.588 | S | S | * | * | trans | -79.9 | 102.7 | 176 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | T918 | V916-T918 HydrophobicContact CG1-CG2 4.23Å; V916-T918 PolarHBondContact O-N 3.44Å | ||
| 917 | N | 29 | Very low | 46.4 | Very low | 130 Ų | 130 | 99.7 Ų | 99.7 | 70% | 0.695 | 56% | 0.556 | S | S | * | * | trans | -73.5 | 89.5 | 171.9 | -94.9 | -56.1 | 0 | 0 | 0 | 111.1 | T915 K919 | T915-N917 PolarHBondContact O-N 3.43Å; N917-K919 PolarHBondContact O-N 3.42Å | ||
| 918 | T | 41 | Very low | 49 | Very low | 88 Ų | 88 | 92.8 Ų | 92.8 | 54% | 0.54 | 53% | 0.525 | S | S | . | . | trans | -67.8 | 122.3 | 172.6 | 49.2 | 0 | 0 | 0 | 0 | 111 | V916 I920 | V916-T918 HydrophobicContact CG1-CG2 4.23Å; V916-T918 PolarHBondContact O-N 3.44Å; T918-I920 PolarHBondContact O-N 3.22Å | ||
| 919 | K | 54.9 | Low | 51.9 | Low | 190 Ų | 190 | 85.1 Ų | 85.1 | 83% | 0.826 | 49% | 0.489 | S | S | * | . | trans | -72.7 | 110.1 | 169.8 | -73.4 | -177.4 | 178.3 | 177.4 | 0 | 108.5 | N917 T921 | N917-K919 PolarHBondContact O-N 3.42Å; K919-T921 PolarHBondContact O-N 3.23Å | ||
| 920 | I | 62.4 | Low | 54.7 | Low | 37 Ų | 37 | 78.8 Ų | 78.8 | 19% | 0.19 | 46% | 0.455 | C | S | . | . | trans | -67.4 | 114.3 | 173.8 | -74.8 | 159 | 0 | 0 | 0 | 108.4 | L808 R809 T918 H924 | L808-I920 HydrophobicContact CB-CG2 4.1Å; L808-I920 VanDerWaalsContact CD1-O 3.23Å; L808-I920 WeakPolarHBondContact CD1-O 3.43Å; R809-I920 HydrophobicContact CG-CD1 3.77Å; T918-I920 PolarHBondContact O-N 3.22Å; I920-H924 HydrophobicContact CG2-CB 4.05Å | ||
| 921 | T | 73.8 | Confident | 57.3 | Low | 56 Ų | 56 | 76.6 Ų | 76.6 | 34% | 0.344 | 43% | 0.43 | S | S | . | . | trans | -95.5 | 168.5 | 177 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | K919 S923 H924 | K919-T921 PolarHBondContact O-N 3.23Å; T921-S923 PolarHBondContact O-N 3.01Å; T921-S923 PolarHBondContact OG1-OG 3.41Å; T921-H924 PolarHBondContact N-ND1 3.46Å; T921-H924 WeakPolarHBondContact O-CB 3.4Å; T921-H924 PolarHBondContact O-N 3.03Å; T921-H924 PolarHBondContact OG1-ND1 2.86Å | ||
| 922 | E | 75.2 | Confident | 60.1 | Low | 89 Ų | 89 | 68.3 Ų | 68.3 | 42% | 0.416 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.8 | -33.6 | 173 | -175.9 | 161.8 | -135.5 | 0 | 0 | 113.1 | H924 I925 R926 | E922-H924 PolarHBondContact O-N 3.04Å; E922-I925 WeakPolarHBondContact O-CA 3.47Å; E922-I925 WeakPolarHBondContact O-CB 3.44Å; E922-I925 PolarHBondContact O-N 3.28Å; E922-R926 PolarHBondContact O-N 3.36Å |
| 923 | S | 73.6 | Confident | 63 | Low | 30 Ų | 30 | 61.4 Ų | 61.4 | 21% | 0.21 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.6 | -27.9 | 173.8 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | T921 I925 L927 | T921-S923 PolarHBondContact O-N 3.01Å; T921-S923 PolarHBondContact OG1-OG 3.41Å; S923-I925 VanDerWaalsContact C-N 3.34Å; S923-L927 VanDerWaalsContact O-CB 3.23Å; S923-L927 WeakPolarHBondContact O-CB 3.49Å; S923-L927 PolarHBondContact O-N 2.77Å |
| 924 | H | 78 | Confident | 65.6 | Low | 35 Ų | 35 | 54.9 Ų | 54.9 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -70 | -30.9 | 170.3 | -67.9 | 79 | 0 | 0 | 0 | 112.1 | Q812 I920 T921 E922 S928 I992 | Q812-H924 PolarHBondContact NE2-O 2.89Å; I920-H924 HydrophobicContact CG2-CB 4.05Å; T921-H924 PolarHBondContact N-ND1 3.46Å; T921-H924 WeakPolarHBondContact O-CB 3.4Å; T921-H924 PolarHBondContact O-N 3.03Å; T921-H924 PolarHBondContact OG1-ND1 2.86Å; E922-H924 PolarHBondContact O-N 3.04Å; H924-S928 WeakPolarHBondContact O-CB 3.44Å; H924-S928 PolarHBondContact O-N 2.97Å; H924-S928 PolarHBondContact O-OG 3.4Å; H924-I992 WeakPolarHBondContact CE1-CD1 3.36Å |
| 925 | I | 81.4 | Confident | 67.8 | Low | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.1 | -44.8 | 176.2 | -58.6 | 172.1 | 0 | 0 | 0 | 110 | L808 R811 Q812 V815 L858 E922 S923 L927 S928 A929 | L808-I925 HydrophobicContact CB-CD1 4.25Å; L808-I925 HydrophobicContact CD2-CD1 3.55Å; R811-I925 HydrophobicContact CB-CD1 4.1Å; Q812-I925 HydrophobicContact CB-CG1 4.15Å; V815-I925 HydrophobicContact CG2-CG2 4.35Å; L858-I925 HydrophobicContact CD2-CG2 4.31Å; E922-I925 WeakPolarHBondContact O-CA 3.47Å; E922-I925 WeakPolarHBondContact O-CB 3.44Å; E922-I925 PolarHBondContact O-N 3.28Å; S923-I925 VanDerWaalsContact C-N 3.34Å; I925-L927 VanDerWaalsContact C-N 3.26Å; I925-L927 PolarHBondContact O-N 3.44Å; I925-S928 PolarHBondContact O-N 3.16Å; I925-A929 WeakPolarHBondContact O-CB 3.13Å; I925-A929 PolarHBondContact O-N 3.06Å |
| 926 | R | 82.1 | Confident | 70.4 | Confident | 36 Ų | 36 | 46.2 Ų | 46.2 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.5 | -45.1 | 172.3 | -61.2 | -170.8 | 63.5 | -161.4 | -6.3 | 110.8 | L858 V859 E922 A929 S930 Q977 L996 | L858-R926 WeakPolarHBondContact O-CG 3.44Å; V859-R926 VanDerWaalsContact O-CZ 3.31Å; V859-R926 PolarHBondContact O-NE 2.96Å; V859-R926 PolarHBondContact O-NH2 3.43Å; E922-R926 PolarHBondContact O-N 3.36Å; R926-A929 PolarHBondContact O-N 3.3Å; R926-S930 WeakPolarHBondContact O-CB 3.48Å; R926-S930 PolarHBondContact O-N 2.86Å; R926-Q977 PolarHBondContact NH2-O 3.39Å; R926-L996 HydrophobicContact CB-CD1 4.04Å; R926-L996 HydrophobicContact CB-CD2 3.92Å |
| 927 | L | 80.7 | Confident | 72.8 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | 176.1 | 173 | 61.8 | 0 | 0 | 0 | 113 | S923 I925 A929 S930 K931 I992 E995 | S923-L927 VanDerWaalsContact O-CB 3.23Å; S923-L927 WeakPolarHBondContact O-CB 3.49Å; S923-L927 PolarHBondContact O-N 2.77Å; I925-L927 VanDerWaalsContact C-N 3.26Å; I925-L927 PolarHBondContact O-N 3.44Å; L927-A929 VanDerWaalsContact C-N 3.35Å; L927-S930 PolarHBondContact O-N 3.27Å; L927-K931 HydrophobicContact CD1-CD 3.95Å; L927-K931 HydrophobicContact CD1-CG 4.35Å; L927-K931 HydrophobicContact CG-CD 4.2Å; L927-K931 WeakPolarHBondContact O-CB 3.37Å; L927-K931 WeakPolarHBondContact O-CG 3.44Å; L927-K931 PolarHBondContact O-N 3.47Å; L927-I992 HydrophobicContact CD2-CG2 4.04Å; L927-E995 HydrophobicContact CD1-CB 3.88Å; L927-E995 HydrophobicContact CD1-CG 4.06Å; L927-E995 WeakPolarHBondContact CD1-O 3.48Å; L927-E995 HydrophobicContact CD2-CB 4.35Å; L927-E995 WeakPolarHBondContact CD2-OE2 3.42Å |
| 928 | S | 79.4 | Confident | 74.7 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -37.1 | 175.2 | -78.2 | 0 | 0 | 0 | 0 | 112.6 | Q812 H924 I925 S932 | Q812-S928 VanDerWaalsContact CG-OG 3.26Å; Q812-S928 WeakPolarHBondContact CG-OG 3.45Å; Q812-S928 PolarHBondContact NE2-OG 3.34Å; H924-S928 WeakPolarHBondContact O-CB 3.44Å; H924-S928 PolarHBondContact O-N 2.97Å; H924-S928 PolarHBondContact O-OG 3.4Å; I925-S928 PolarHBondContact O-N 3.16Å; S928-S932 WeakPolarHBondContact O-CB 3.26Å; S928-S932 PolarHBondContact O-N 3.28Å; S928-S932 PolarHBondContact O-OG 3.06Å |
| 929 | A | 83.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V815 L855 L858 V859 I925 R926 L927 S932 L933 | V815-A929 VanDerWaalsContact CG1-CA 3.45Å; V815-A929 HydrophobicContact CG1-CB 3.82Å; L855-A929 HydrophobicContact CD2-CB 4.33Å; L858-A929 HydrophobicContact CB-CB 3.7Å; L858-A929 HydrophobicContact CD1-CB 4.37Å; V859-A929 HydrophobicContact CG2-CB 3.77Å; I925-A929 WeakPolarHBondContact O-CB 3.13Å; I925-A929 PolarHBondContact O-N 3.06Å; R926-A929 PolarHBondContact O-N 3.3Å; L927-A929 VanDerWaalsContact C-N 3.35Å; A929-S932 WeakPolarHBondContact O-CB 3.29Å; A929-S932 PolarHBondContact O-N 3.42Å; A929-L933 PolarHBondContact O-N 3.28Å |
| 930 | S | 81.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.2 | -48 | 176.6 | -172.5 | 0 | 0 | 0 | 0 | 111.6 | R926 L927 S932 L933 D934 S999 C1000 T1003 | R926-S930 WeakPolarHBondContact O-CB 3.48Å; R926-S930 PolarHBondContact O-N 2.86Å; L927-S930 PolarHBondContact O-N 3.27Å; S930-S932 VanDerWaalsContact C-N 3.3Å; S930-S932 PolarHBondContact O-N 2.97Å; S930-L933 PolarHBondContact O-N 3.09Å; S930-D934 WeakPolarHBondContact O-CB 3.39Å; S930-D934 PolarHBondContact O-N 2.9Å; S930-S999 VanDerWaalsContact C-OG 3.23Å; S930-S999 WeakPolarHBondContact CB-OG 3.26Å; S930-S999 PolarHBondContact O-OG 3.09Å; S930-S999 VanDerWaalsContact OG-C 3.27Å; S930-S999 WeakPolarHBondContact OG-CB 3.27Å; S930-S999 PolarHBondContact OG-OG 2.79Å; S930-C1000 PolarHBondContact OG-N 3.12Å; S930-T1003 WeakPolarHBondContact O-CG2 3.4Å |
| 931 | K | 78.7 | Confident | 76.8 | Confident | 79 Ų | 79 | 22.6 Ų | 22.6 | 34% | 0.343 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -62.6 | -35.4 | 176.4 | -75 | 169.4 | 168.8 | 170.5 | 0 | 113 | L927 D934 A935 E995 S999 | L927-K931 HydrophobicContact CD1-CD 3.95Å; L927-K931 HydrophobicContact CD1-CG 4.35Å; L927-K931 HydrophobicContact CG-CD 4.2Å; L927-K931 WeakPolarHBondContact O-CB 3.37Å; L927-K931 WeakPolarHBondContact O-CG 3.44Å; L927-K931 PolarHBondContact O-N 3.47Å; K931-D934 PolarHBondContact O-N 3.05Å; K931-A935 PolarHBondContact O-N 3.46Å; K931-A935 VanDerWaalsContact O-N 3.1Å; K931-E995 WeakPolarHBondContact CE-OE1 3.11Å; K931-E995 IonicContact NZ-OE1 3.36Å; K931-E995 PolarHBondContact NZ-OE1 2.91Å; K931-E995 IonicContact NZ-OE2 3.19Å; K931-E995 PolarHBondContact NZ-OE2 3.47Å; K931-S999 PolarHBondContact N-OG 3.31Å |
| 932 | S | 81.9 | Confident | 76.2 | Confident | 9 Ų | 9 | 20.9 Ų | 20.9 | 6% | 0.063 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.2 | -40.6 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | V815 S928 A929 S930 F936 | V815-S932 PolarHBondContact O-OG 2.86Å; S928-S932 WeakPolarHBondContact O-CB 3.26Å; S928-S932 PolarHBondContact O-N 3.28Å; S928-S932 PolarHBondContact O-OG 3.06Å; A929-S932 WeakPolarHBondContact O-CB 3.29Å; A929-S932 PolarHBondContact O-N 3.42Å; S930-S932 VanDerWaalsContact C-N 3.3Å; S930-S932 PolarHBondContact O-N 2.97Å; S932-F936 WeakPolarHBondContact O-CB 3.37Å; S932-F936 PolarHBondContact O-N 2.98Å; S932-F936 VanDerWaalsContact O-N 3.09Å |
| 933 | L | 83.5 | Confident | 75.4 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.9 | -36.7 | 174.9 | -171.8 | 65.4 | 0 | 0 | 0 | 112 | I856 A929 S930 F936 V937 T1003 | I856-L933 HydrophobicContact CG1-CD1 4.36Å; I856-L933 HydrophobicContact CG1-CD2 4Å; A929-L933 PolarHBondContact O-N 3.28Å; S930-L933 PolarHBondContact O-N 3.09Å; L933-F936 PolarHBondContact O-N 3.18Å; L933-V937 HydrophobicContact CD1-CG2 4.26Å; L933-V937 HydrophobicContact CG-CG2 4.33Å; L933-V937 WeakPolarHBondContact O-CB 3.42Å; L933-V937 VanDerWaalsContact O-CG2 3.3Å; L933-V937 WeakPolarHBondContact O-CG2 3.5Å; L933-V937 PolarHBondContact O-N 3.34Å; L933-T1003 HydrophobicContact CB-CG2 4.02Å; L933-T1003 HydrophobicContact CD2-CG2 4.16Å; L933-T1003 HydrophobicContact CG-CG2 4.08Å |
| 934 | D | 78 | Confident | 74.7 | Confident | 9 Ų | 9 | 17.1 Ų | 17.1 | 5% | 0.048 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.7 | -47.3 | -179.9 | -159.1 | 20.1 | 0 | 0 | 0 | 111.3 | S930 K931 F936 T938 S1002 T1003 | S930-D934 WeakPolarHBondContact O-CB 3.39Å; S930-D934 PolarHBondContact O-N 2.9Å; K931-D934 PolarHBondContact O-N 3.05Å; D934-F936 VanDerWaalsContact C-N 3.33Å; D934-F936 PolarHBondContact O-N 3.09Å; D934-T938 WeakPolarHBondContact O-CB 3.35Å; D934-T938 PolarHBondContact O-N 3.38Å; D934-T938 PolarHBondContact O-OG1 2.8Å; D934-S1002 VanDerWaalsContact CG-CB 3.48Å; D934-S1002 VanDerWaalsContact CG-OG 3.26Å; D934-S1002 WeakPolarHBondContact OD1-CB 3.44Å; D934-S1002 PolarHBondContact OD1-OG 2.7Å; D934-S1002 WeakPolarHBondContact OD2-CB 3.39Å; D934-S1002 PolarHBondContact OD2-OG 2.82Å; D934-T1003 HydrophobicContact CB-CG2 3.69Å; D934-T1003 PolarHBondContact OD1-N 3.23Å |
| 935 | A | 72.4 | Confident | 73.7 | Confident | 26 Ų | 26 | 15.9 Ų | 15.9 | 22% | 0.215 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T823 K931 A939 | T823-A935 HydrophobicContact CG2-CB 4.21Å; K931-A935 PolarHBondContact O-N 3.46Å; K931-A935 VanDerWaalsContact O-N 3.1Å; A935-A939 WeakPolarHBondContact O-CB 3.49Å; A935-A939 PolarHBondContact O-N 2.91Å |
| 936 | F | 81 | Confident | 72.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.3 | -50.2 | -179.7 | -175.1 | -125.6 | 0 | 0 | 0 | 113.4 | L822 T823 T826 W848 V852 S932 L933 D934 T938 A939 I940 I965 | L822-F936 HydrophobicContact CB-CD2 3.7Å; L822-F936 HydrophobicContact CB-CE2 3.8Å; L822-F936 HydrophobicContact CB-CG 4.3Å; L822-F936 HydrophobicContact CB-CZ 4.46Å; L822-F936 HydrophobicContact CD2-CE2 4.46Å; L822-F936 HydrophobicContact CD2-CZ 4.39Å; T823-F936 HydrophobicContact CG2-CB 4.36Å; T823-F936 HydrophobicContact CG2-CD2 4.38Å; T826-F936 HydrophobicContact CG2-CE2 3.63Å; T826-F936 HydrophobicContact CG2-CZ 4.21Å; W848-F936 HydrophobicContact CE3-CE2 4.42Å; W848-F936 AromaticContact CE3-CZ 3.94Å; W848-F936 HydrophobicContact CE3-CZ 3.94Å; W848-F936 AromaticContact CZ3-CE2 3.78Å; W848-F936 HydrophobicContact CZ3-CE2 3.78Å; W848-F936 AromaticContact CZ3-CZ 3.74Å; W848-F936 HydrophobicContact CZ3-CZ 3.74Å; V852-F936 HydrophobicContact CG2-CD1 4.19Å; V852-F936 HydrophobicContact CG2-CE1 3.57Å; V852-F936 HydrophobicContact CG2-CZ 4.45Å; S932-F936 WeakPolarHBondContact O-CB 3.37Å; S932-F936 PolarHBondContact O-N 2.98Å; S932-F936 VanDerWaalsContact O-N 3.09Å; L933-F936 PolarHBondContact O-N 3.18Å; D934-F936 VanDerWaalsContact C-N 3.33Å; D934-F936 PolarHBondContact O-N 3.09Å; F936-T938 VanDerWaalsContact C-N 3.27Å; F936-T938 PolarHBondContact O-N 2.9Å; F936-A939 WeakPolarHBondContact O-CB 3.39Å; F936-A939 PolarHBondContact O-N 3.44Å; F936-I940 HydrophobicContact CD1-CD1 4.22Å; F936-I940 HydrophobicContact CE1-CD1 3.82Å; F936-I940 HydrophobicContact CE2-CD1 4.23Å; F936-I940 HydrophobicContact CE2-CG1 4.4Å; F936-I940 HydrophobicContact CZ-CD1 3.82Å; F936-I940 HydrophobicContact CZ-CG1 4.44Å; F936-I940 WeakPolarHBondContact O-CG1 3.33Å; F936-I940 PolarHBondContact O-N 3.23Å; F936-I965 HydrophobicContact CD1-CD1 4.27Å; F936-I965 HydrophobicContact CE1-CD1 3.88Å |
| 937 | V | 76.7 | Confident | 71.3 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.7 | -38.5 | 176.6 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | L933 I940 H941 I965 I1007 L1010 | L933-V937 HydrophobicContact CD1-CG2 4.26Å; L933-V937 HydrophobicContact CG-CG2 4.33Å; L933-V937 WeakPolarHBondContact O-CB 3.42Å; L933-V937 VanDerWaalsContact O-CG2 3.3Å; L933-V937 WeakPolarHBondContact O-CG2 3.5Å; L933-V937 PolarHBondContact O-N 3.34Å; V937-I940 PolarHBondContact O-N 3.3Å; V937-H941 PolarHBondContact O-N 3.21Å; V937-H941 VanDerWaalsContact O-N 3.09Å; V937-I965 HydrophobicContact CG2-CG2 4.18Å; V937-I1007 HydrophobicContact CG1-CG1 4.13Å; V937-I1007 HydrophobicContact CG2-CG1 4Å; V937-L1010 HydrophobicContact CG1-CD1 3.95Å |
| 938 | T | 68.4 | Low | 69.8 | Low | 17 Ų | 17 | 24.6 Ų | 24.6 | 10% | 0.104 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -76.4 | -30.1 | 178.5 | -44.8 | 0 | 0 | 0 | 0 | 112.9 | W547 D934 F936 H941 G942 | W547-T938 HydrophobicContact CB-CG2 3.49Å; W547-T938 VanDerWaalsContact CB-CG2 3.49Å; W547-T938 HydrophobicContact CD2-CG2 3.63Å; W547-T938 HydrophobicContact CE3-CG2 4.13Å; W547-T938 HydrophobicContact CG-CG2 3.3Å; D934-T938 WeakPolarHBondContact O-CB 3.35Å; D934-T938 PolarHBondContact O-N 3.38Å; D934-T938 PolarHBondContact O-OG1 2.8Å; F936-T938 VanDerWaalsContact C-N 3.27Å; F936-T938 PolarHBondContact O-N 2.9Å; T938-H941 PolarHBondContact O-N 3.29Å; T938-G942 PolarHBondContact O-N 3.39Å |
| 939 | A | 66.7 | Low | 68.2 | Low | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.033 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60 | -47.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | T823 A935 F936 H941 G942 C943 | T823-A939 HydrophobicContact CG2-CB 3.99Å; A935-A939 WeakPolarHBondContact O-CB 3.49Å; A935-A939 PolarHBondContact O-N 2.91Å; F936-A939 WeakPolarHBondContact O-CB 3.39Å; F936-A939 PolarHBondContact O-N 3.44Å; A939-H941 VanDerWaalsContact C-N 3.31Å; A939-H941 PolarHBondContact O-N 3.39Å; A939-G942 PolarHBondContact O-N 3.38Å; A939-C943 WeakPolarHBondContact O-CB 3.11Å; A939-C943 PolarHBondContact O-N 2.85Å; A939-C943 PolarHBondContact O-SG 3.5Å |
| 940 | I | 71.1 | Confident | 66.3 | Low | 4 Ų | 4 | 30.9 Ų | 30.9 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.4 | -44.8 | 175.6 | -66.1 | 170.2 | 0 | 0 | 0 | 111.5 | T826 F936 V937 C943 Q944 L945 L962 I965 L1010 | T826-I940 HydrophobicContact CG2-CG1 4.26Å; F936-I940 HydrophobicContact CD1-CD1 4.22Å; F936-I940 HydrophobicContact CE1-CD1 3.82Å; F936-I940 HydrophobicContact CE2-CD1 4.23Å; F936-I940 HydrophobicContact CE2-CG1 4.4Å; F936-I940 HydrophobicContact CZ-CD1 3.82Å; F936-I940 HydrophobicContact CZ-CG1 4.44Å; F936-I940 WeakPolarHBondContact O-CG1 3.33Å; F936-I940 PolarHBondContact O-N 3.23Å; V937-I940 PolarHBondContact O-N 3.3Å; I940-C943 PolarHBondContact O-N 2.95Å; I940-Q944 PolarHBondContact O-N 3.48Å; I940-L945 HydrophobicContact CG1-CD1 4.4Å; I940-L945 HydrophobicContact CG2-CB 3.94Å; I940-L945 PolarHBondContact O-N 2.91Å; I940-L962 HydrophobicContact CG2-CD2 3.76Å; I940-I965 HydrophobicContact CD1-CD1 3.5Å; I940-L1010 HydrophobicContact CB-CD1 4.35Å; I940-L1010 HydrophobicContact CG2-CD1 3.87Å; I940-L1010 HydrophobicContact CG2-CD2 3.78Å |
| 941 | H | 65.2 | Low | 64.5 | Low | 57 Ų | 57 | 35.9 Ų | 35.9 | 26% | 0.264 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.8 | -45.5 | 178.9 | -172.8 | -60.4 | 0 | 0 | 0 | 112.8 | V937 T938 A939 C943 Q944 L1010 | V937-H941 PolarHBondContact O-N 3.21Å; V937-H941 VanDerWaalsContact O-N 3.09Å; T938-H941 PolarHBondContact O-N 3.29Å; A939-H941 VanDerWaalsContact C-N 3.31Å; A939-H941 PolarHBondContact O-N 3.39Å; H941-C943 PolarHBondContact O-N 3.22Å; H941-Q944 PolarHBondContact O-N 2.71Å; H941-Q944 VanDerWaalsContact O-N 3.09Å; H941-L1010 HydrophobicContact CB-CD2 4.1Å |
| 942 | G | 60.2 | Low | 63.3 | Low | 19 Ų | 19 | 34.6 Ų | 34.6 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -33.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | T938 A939 Q944 | T938-G942 PolarHBondContact O-N 3.39Å; A939-G942 PolarHBondContact O-N 3.38Å; G942-Q944 VanDerWaalsContact C-N 3.26Å; G942-Q944 PolarHBondContact O-N 2.7Å |
| 943 | C | 59.5 | Low | 62.1 | Low | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12.9 | 174 | -72.3 | 0 | 0 | 0 | 0 | 114.4 | L830 A939 I940 H941 L945 | L830-C943 HydrophobicContact CD1-CB 3.4Å; L830-C943 WeakPolarHBondContact CD1-SG 3.29Å; L830-C943 HydrophobicContact CD2-CB 4.3Å; L830-C943 HydrophobicContact CG-CB 3.89Å; A939-C943 WeakPolarHBondContact O-CB 3.11Å; A939-C943 PolarHBondContact O-N 2.85Å; A939-C943 PolarHBondContact O-SG 3.5Å; I940-C943 PolarHBondContact O-N 2.95Å; H941-C943 PolarHBondContact O-N 3.22Å; C943-L945 HydrophobicContact CB-CB 4.46Å; C943-L945 HydrophobicContact CB-CD1 3.85Å; C943-L945 HydrophobicContact CB-CG 3.85Å; C943-L945 PolarHBondContact O-N 3.43Å |
| 944 | Q | 58.7 | Low | 60.8 | Low | 41 Ų | 41 | 39.2 Ų | 39.2 | 19% | 0.192 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 36.4 | -167 | -62.5 | -155 | -75.3 | 0 | 0 | 113.7 | I940 H941 G942 Y946 D947 I948 | I940-Q944 PolarHBondContact O-N 3.48Å; H941-Q944 PolarHBondContact O-N 2.71Å; H941-Q944 VanDerWaalsContact O-N 3.09Å; G942-Q944 VanDerWaalsContact C-N 3.26Å; G942-Q944 PolarHBondContact O-N 2.7Å; Q944-Y946 HydrophobicContact CB-CE1 4.36Å; Q944-Y946 HydrophobicContact CG-CE1 4.43Å; Q944-Y946 PolarHBondContact NE2-OH 2.86Å; Q944-Y946 PolarHBondContact O-N 3.48Å; Q944-D947 PolarHBondContact NE2-OD2 3.25Å; Q944-D947 PolarHBondContact O-N 3.04Å; Q944-I948 WeakPolarHBondContact O-CG1 3.39Å |
| 945 | L | 56.8 | Low | 60 | Low | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -8.3 | -178.5 | -90.6 | 163.5 | 0 | 0 | 0 | 114.2 | T826 L830 I940 C943 I948 I958 | T826-L945 HydrophobicContact CG2-CD1 3.92Å; L830-L945 HydrophobicContact CD2-CD2 3.76Å; L830-L945 HydrophobicContact CD2-CG 3.9Å; L830-L945 HydrophobicContact CG-CD2 4.47Å; L830-L945 HydrophobicContact CG-CG 4.38Å; I940-L945 HydrophobicContact CG1-CD1 4.4Å; I940-L945 HydrophobicContact CG2-CB 3.94Å; I940-L945 PolarHBondContact O-N 2.91Å; C943-L945 HydrophobicContact CB-CB 4.46Å; C943-L945 HydrophobicContact CB-CD1 3.85Å; C943-L945 HydrophobicContact CB-CG 3.85Å; C943-L945 PolarHBondContact O-N 3.43Å; L945-I948 HydrophobicContact CD2-CD1 4.22Å; L945-I958 HydrophobicContact CD2-CD1 3.73Å; L945-I958 HydrophobicContact CD2-CG1 4.17Å; L945-I958 HydrophobicContact CD2-CG2 4.08Å |
| 946 | Y | 60 | Low | 59.6 | Low | 96 Ų | 96 | 45.3 Ų | 45.3 | 38% | 0.376 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -19 | 174.8 | 60.6 | -96.6 | 0 | 0 | 0 | 114 | Q944 L1010 | Q944-Y946 HydrophobicContact CB-CE1 4.36Å; Q944-Y946 HydrophobicContact CG-CE1 4.43Å; Q944-Y946 PolarHBondContact NE2-OH 2.86Å; Q944-Y946 PolarHBondContact O-N 3.48Å; Y946-L1010 HydrophobicContact CD1-CD2 3.87Å |
| 947 | D | 51.9 | Low | 58.8 | Low | 90 Ų | 90 | 45.8 Ų | 45.8 | 48% | 0.481 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -91.3 | -4 | -178.7 | -72.9 | -35.2 | 0 | 0 | 0 | 113.3 | Q944 | Q944-D947 PolarHBondContact NE2-OD2 3.25Å; Q944-D947 PolarHBondContact O-N 3.04Å |
| 948 | I | 50.7 | Low | 58.2 | Low | 48 Ų | 48 | 46.5 Ų | 46.5 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | trans | -96 | 115.7 | -164.4 | -43.9 | -172.3 | 0 | 0 | 0 | 112.2 | L830 H833 Q944 L945 V950 | L830-I948 HydrophobicContact CD2-CD1 3.34Å; H833-I948 WeakPolarHBondContact NE2-CG2 3.24Å; Q944-I948 WeakPolarHBondContact O-CG1 3.39Å; L945-I948 HydrophobicContact CD2-CD1 4.22Å; I948-V950 HydrophobicContact CB-CG2 3.88Å; I948-V950 HydrophobicContact CG2-CG2 3.51Å; I948-V950 PolarHBondContact O-N 2.8Å | ||
| 949 | S | 44.8 | Very low | 58.2 | Low | 119 Ų | 119 | 49.7 Ų | 49.7 | 83% | 0.832 | 30% | 0.299 | S | S | * | . | trans | -75.1 | 61.1 | 170.6 | 44.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 950 | V | 45.1 | Very low | 58.3 | Low | 22 Ų | 22 | 50.6 Ų | 50.6 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | trans | -64 | 142.5 | -179.2 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | I948 L954 S955 I958 | I948-V950 HydrophobicContact CB-CG2 3.88Å; I948-V950 HydrophobicContact CG2-CG2 3.51Å; I948-V950 PolarHBondContact O-N 2.8Å; V950-L954 HydrophobicContact CG1-CB 3.77Å; V950-L954 HydrophobicContact CG1-CD2 3.84Å; V950-L954 HydrophobicContact CG1-CG 4.26Å; V950-S955 VanDerWaalsContact CG1-N 3.35Å; V950-S955 WeakPolarHBondContact O-CB 3.4Å; V950-I958 HydrophobicContact CG2-CD1 4.05Å | ||
| 951 | S | 42.4 | Very low | 58.2 | Low | 105 Ų | 105 | 50.7 Ų | 50.7 | 73% | 0.734 | 31% | 0.306 | S | S | * | . | trans | -120.1 | 156.5 | 168 | 60.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 952 | G | 54.6 | Low | 58.5 | Low | 52 Ų | 52 | 49.5 Ų | 49.5 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 81.1 | -177.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | L954 S955 | G952-L954 PolarHBondContact O-N 3.16Å; G952-S955 WeakPolarHBondContact O-CB 3.48Å; G952-S955 PolarHBondContact O-N 3.01Å; G952-S955 PolarHBondContact O-OG 3.09Å; G952-S955 VanDerWaalsContact O-OG 3.04Å |
| 953 | S | 55.6 | Low | 59.2 | Low | 78 Ų | 78 | 54.8 Ų | 54.8 | 55% | 0.545 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.8 | -25.6 | -175.6 | 52.3 | 0 | 0 | 0 | 0 | 114.6 | S955 E956 S957 | S953-S955 PolarHBondContact O-N 3.32Å; S953-E956 PolarHBondContact O-N 2.9Å; S953-S957 PolarHBondContact O-N 3.34Å; S953-S957 VanDerWaalsContact O-N 3.11Å |
| 954 | L | 56.2 | Low | 59.8 | Low | 29 Ų | 29 | 55 Ų | 55 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.6 | -35.8 | 173.2 | -153.9 | 92.8 | 0 | 0 | 0 | 111.8 | L829 H833 V950 G952 I958 | L829-L954 HydrophobicContact CD2-CD1 3.43Å; L829-L954 VanDerWaalsContact CD2-CD1 3.43Å; L829-L954 HydrophobicContact CD2-CG 4.22Å; H833-L954 HydrophobicContact CB-CD2 4.21Å; V950-L954 HydrophobicContact CG1-CB 3.77Å; V950-L954 HydrophobicContact CG1-CD2 3.84Å; V950-L954 HydrophobicContact CG1-CG 4.26Å; G952-L954 PolarHBondContact O-N 3.16Å; L954-I958 HydrophobicContact CD2-CD1 4.09Å; L954-I958 HydrophobicContact CG-CD1 4.07Å; L954-I958 WeakPolarHBondContact O-CB 3.34Å; L954-I958 WeakPolarHBondContact O-CD1 3.39Å; L954-I958 VanDerWaalsContact O-CG1 3.27Å; L954-I958 WeakPolarHBondContact O-CG1 3.28Å; L954-I958 PolarHBondContact O-N 2.85Å |
| 955 | S | 61.4 | Low | 60.5 | Low | 30 Ų | 30 | 53.1 Ų | 53.1 | 21% | 0.21 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -71 | -39.3 | 179 | 82.8 | 0 | 0 | 0 | 0 | 111.6 | V950 G952 S953 I958 T959 | V950-S955 VanDerWaalsContact CG1-N 3.35Å; V950-S955 WeakPolarHBondContact O-CB 3.4Å; G952-S955 WeakPolarHBondContact O-CB 3.48Å; G952-S955 PolarHBondContact O-N 3.01Å; G952-S955 PolarHBondContact O-OG 3.09Å; G952-S955 VanDerWaalsContact O-OG 3.04Å; S953-S955 PolarHBondContact O-N 3.32Å; S955-I958 PolarHBondContact O-N 3.47Å; S955-T959 WeakPolarHBondContact O-CB 3.25Å; S955-T959 WeakPolarHBondContact O-CG2 3.45Å; S955-T959 PolarHBondContact O-N 3.37Å; S955-T959 PolarHBondContact O-OG1 2.99Å |
| 956 | E | 65 | Low | 61.2 | Low | 132 Ų | 132 | 54.2 Ų | 54.2 | 62% | 0.617 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.5 | -47.6 | 176.6 | -63.3 | -173.7 | 162.8 | 0 | 0 | 110.4 | S953 I958 T959 S960 | S953-E956 PolarHBondContact O-N 2.9Å; E956-I958 PolarHBondContact O-N 2.81Å; E956-T959 PolarHBondContact O-OG1 3.27Å; E956-S960 WeakPolarHBondContact O-CA 3.3Å; E956-S960 WeakPolarHBondContact O-CB 3.41Å; E956-S960 PolarHBondContact O-N 2.92Å |
| 957 | S | 63.9 | Low | 62.2 | Low | 11 Ų | 11 | 51.5 Ų | 51.5 | 8% | 0.077 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 176.9 | -74.3 | 0 | 0 | 0 | 0 | 113.1 | T843 A845 S953 C961 | T843-S957 PolarHBondContact O-OG 3.01Å; A845-S957 WeakPolarHBondContact CA-OG 3.1Å; A845-S957 PolarHBondContact N-OG 3.02Å; S953-S957 PolarHBondContact O-N 3.34Å; S953-S957 VanDerWaalsContact O-N 3.11Å; S957-C961 WeakPolarHBondContact O-CB 3.46Å; S957-C961 PolarHBondContact O-N 2.91Å |
| 958 | I | 64.5 | Low | 63.2 | Low | 15 Ų | 15 | 47.8 Ų | 47.8 | 8% | 0.077 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.2 | -49 | 177.8 | -69.8 | 163.8 | 0 | 0 | 0 | 111.4 | L829 L945 V950 L954 S955 E956 C961 L962 | L829-I958 HydrophobicContact CD1-CG1 4.48Å; L945-I958 HydrophobicContact CD2-CD1 3.73Å; L945-I958 HydrophobicContact CD2-CG1 4.17Å; L945-I958 HydrophobicContact CD2-CG2 4.08Å; V950-I958 HydrophobicContact CG2-CD1 4.05Å; L954-I958 HydrophobicContact CD2-CD1 4.09Å; L954-I958 HydrophobicContact CG-CD1 4.07Å; L954-I958 WeakPolarHBondContact O-CB 3.34Å; L954-I958 WeakPolarHBondContact O-CD1 3.39Å; L954-I958 VanDerWaalsContact O-CG1 3.27Å; L954-I958 WeakPolarHBondContact O-CG1 3.28Å; L954-I958 PolarHBondContact O-N 2.85Å; S955-I958 PolarHBondContact O-N 3.47Å; E956-I958 PolarHBondContact O-N 2.81Å; I958-C961 PolarHBondContact O-N 3.04Å; I958-L962 HydrophobicContact CG2-CD1 3.96Å; I958-L962 WeakPolarHBondContact O-CB 3.21Å; I958-L962 WeakPolarHBondContact O-CG 3.29Å; I958-L962 PolarHBondContact O-N 3.5Å |
| 959 | T | 67.9 | Low | 64.5 | Low | 84 Ų | 84 | 49 Ų | 49 | 52% | 0.515 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 179.8 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | S955 E956 L962 H963 | S955-T959 WeakPolarHBondContact O-CB 3.25Å; S955-T959 WeakPolarHBondContact O-CG2 3.45Å; S955-T959 PolarHBondContact O-N 3.37Å; S955-T959 PolarHBondContact O-OG1 2.99Å; E956-T959 PolarHBondContact O-OG1 3.27Å; T959-L962 PolarHBondContact O-N 2.89Å; T959-H963 VanDerWaalsContact O-CB 3.25Å; T959-H963 WeakPolarHBondContact O-CB 3.27Å; T959-H963 PolarHBondContact O-N 2.87Å |
| 960 | S | 68.4 | Low | 66.1 | Low | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.161 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 174.6 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | Q849 E956 S964 | Q849-S960 WeakPolarHBondContact CG-OG 3.17Å; Q849-S960 PolarHBondContact NE2-O 3.5Å; Q849-S960 PolarHBondContact NE2-OG 3.06Å; Q849-S960 PolarHBondContact OE1-OG 3.08Å; E956-S960 WeakPolarHBondContact O-CA 3.3Å; E956-S960 WeakPolarHBondContact O-CB 3.41Å; E956-S960 PolarHBondContact O-N 2.92Å; S960-S964 WeakPolarHBondContact O-CB 3.2Å; S960-S964 PolarHBondContact O-N 2.76Å |
| 961 | C | 68.6 | Low | 67.8 | Low | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 172.6 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | W848 S957 I958 H963 S964 I965 | W848-C961 HydrophobicContact CB-CB 4.28Å; S957-C961 WeakPolarHBondContact O-CB 3.46Å; S957-C961 PolarHBondContact O-N 2.91Å; I958-C961 PolarHBondContact O-N 3.04Å; C961-H963 VanDerWaalsContact C-N 3.34Å; C961-H963 PolarHBondContact O-N 3.32Å; C961-S964 PolarHBondContact O-N 3.41Å; C961-I965 WeakPolarHBondContact O-CG1 3.36Å; C961-I965 PolarHBondContact O-N 2.65Å |
| 962 | L | 72.3 | Confident | 69.5 | Low | 31 Ų | 31 | 39.4 Ų | 39.4 | 16% | 0.162 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.4 | -74.3 | 170.7 | 0 | 0 | 0 | 111.4 | I940 I958 T959 S964 I965 T966 | I940-L962 HydrophobicContact CG2-CD2 3.76Å; I958-L962 HydrophobicContact CG2-CD1 3.96Å; I958-L962 WeakPolarHBondContact O-CB 3.21Å; I958-L962 WeakPolarHBondContact O-CG 3.29Å; I958-L962 PolarHBondContact O-N 3.5Å; T959-L962 PolarHBondContact O-N 2.89Å; L962-S964 VanDerWaalsContact C-N 3.3Å; L962-S964 PolarHBondContact O-N 3.32Å; L962-I965 PolarHBondContact O-N 2.83Å; L962-I965 VanDerWaalsContact O-N 3.1Å; L962-T966 WeakPolarHBondContact O-CB 3.3Å; L962-T966 WeakPolarHBondContact O-CG2 3.35Å; L962-T966 PolarHBondContact O-N 3.27Å; L962-T966 PolarHBondContact O-OG1 3.47Å |
| 963 | H | 74.9 | Confident | 70.7 | Confident | 131 Ų | 131 | 43.1 Ų | 43.1 | 61% | 0.606 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -64.8 | -32.4 | 176.3 | -168.3 | -55.8 | 0 | 0 | 0 | 112.2 | T959 C961 I965 T967 | T959-H963 VanDerWaalsContact O-CB 3.25Å; T959-H963 WeakPolarHBondContact O-CB 3.27Å; T959-H963 PolarHBondContact O-N 2.87Å; C961-H963 VanDerWaalsContact C-N 3.34Å; C961-H963 PolarHBondContact O-N 3.32Å; H963-I965 VanDerWaalsContact C-N 3.27Å; H963-I965 PolarHBondContact O-N 2.75Å; H963-T967 VanDerWaalsContact O-CG2 3.25Å; H963-T967 WeakPolarHBondContact O-CG2 3.42Å |
| 964 | S | 72 | Confident | 71.9 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.028 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -8.1 | 172.8 | -84 | 0 | 0 | 0 | 0 | 115 | Q849 S960 C961 L962 I970 | Q849-S964 WeakPolarHBondContact CB-OG 3.28Å; Q849-S964 VanDerWaalsContact CG-OG 3.24Å; Q849-S964 WeakPolarHBondContact CG-OG 3.33Å; Q849-S964 PolarHBondContact NE2-OG 3.29Å; S960-S964 WeakPolarHBondContact O-CB 3.2Å; S960-S964 PolarHBondContact O-N 2.76Å; C961-S964 PolarHBondContact O-N 3.41Å; L962-S964 VanDerWaalsContact C-N 3.3Å; L962-S964 PolarHBondContact O-N 3.32Å; S964-I970 WeakPolarHBondContact O-CD1 3.19Å |
| 965 | I | 73.6 | Confident | 73.1 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -40 | 173.2 | -62.9 | 167.8 | 0 | 0 | 0 | 110.7 | V852 F936 V937 I940 C961 L962 H963 T967 I970 I1007 | V852-I965 HydrophobicContact CG1-CG1 3.79Å; F936-I965 HydrophobicContact CD1-CD1 4.27Å; F936-I965 HydrophobicContact CE1-CD1 3.88Å; V937-I965 HydrophobicContact CG2-CG2 4.18Å; I940-I965 HydrophobicContact CD1-CD1 3.5Å; C961-I965 WeakPolarHBondContact O-CG1 3.36Å; C961-I965 PolarHBondContact O-N 2.65Å; L962-I965 PolarHBondContact O-N 2.83Å; L962-I965 VanDerWaalsContact O-N 3.1Å; H963-I965 VanDerWaalsContact C-N 3.27Å; H963-I965 PolarHBondContact O-N 2.75Å; I965-T967 VanDerWaalsContact C-N 3.34Å; I965-T967 PolarHBondContact O-N 2.74Å; I965-I970 WeakPolarHBondContact O-CD1 3.22Å; I965-I1007 HydrophobicContact CG2-CD1 4.08Å; I965-I1007 HydrophobicContact CG2-CG1 3.68Å; I965-I1007 HydrophobicContact CG2-CG2 4.34Å |
| 966 | T | 71.9 | Confident | 73.9 | Confident | 32 Ų | 32 | 39.1 Ų | 39.1 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -92.8 | 38.3 | -165.5 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | L962 L1010 N1011 L1014 | L962-T966 WeakPolarHBondContact O-CB 3.3Å; L962-T966 WeakPolarHBondContact O-CG2 3.35Å; L962-T966 PolarHBondContact O-N 3.27Å; L962-T966 PolarHBondContact O-OG1 3.47Å; T966-L1010 HydrophobicContact CG2-CB 4.43Å; T966-N1011 HydrophobicContact CG2-CB 3.96Å; T966-L1014 HydrophobicContact CG2-CD1 4.33Å; T966-L1014 WeakPolarHBondContact O-CD2 3.49Å |
| 967 | T | 79.4 | Confident | 74.4 | Confident | 39 Ų | 39 | 35 Ų | 35 | 24% | 0.239 | 19% | 0.188 | C | C | . | . | trans | -97.1 | 146.8 | 172 | 77.4 | 0 | 0 | 0 | 0 | 112.1 | H963 I965 D969 I970 V971 | H963-T967 VanDerWaalsContact O-CG2 3.25Å; H963-T967 WeakPolarHBondContact O-CG2 3.42Å; I965-T967 VanDerWaalsContact C-N 3.34Å; I965-T967 PolarHBondContact O-N 2.74Å; T967-D969 PolarHBondContact O-N 2.71Å; T967-I970 HydrophobicContact CG2-CD1 4.34Å; T967-I970 PolarHBondContact O-N 2.99Å; T967-I970 VanDerWaalsContact OG1-CD1 3.25Å; T967-I970 WeakPolarHBondContact OG1-CD1 3.31Å; T967-I970 VanDerWaalsContact OG1-CG1 3.31Å; T967-I970 WeakPolarHBondContact OG1-CG1 3.45Å; T967-I970 PolarHBondContact OG1-N 2.81Å; T967-V971 PolarHBondContact O-N 2.89Å | ||
| 968 | G | 74.3 | Confident | 74.7 | Confident | 11 Ų | 11 | 34.5 Ų | 34.5 | 11% | 0.113 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -24.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S972 | G968-S972 VanDerWaalsContact O-CB 3.28Å; G968-S972 WeakPolarHBondContact O-CB 3.2Å; G968-S972 PolarHBondContact O-N 2.83Å |
| 969 | D | 78.2 | Confident | 75.2 | Confident | 75 Ų | 75 | 33.8 Ų | 33.8 | 40% | 0.401 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -68.8 | -37.1 | 176.7 | -66.2 | -81.8 | 0 | 0 | 0 | 112.7 | T967 R973 R1022 | T967-D969 PolarHBondContact O-N 2.71Å; D969-R973 WeakPolarHBondContact O-CB 3.23Å; D969-R973 VanDerWaalsContact O-CG 3.3Å; D969-R973 WeakPolarHBondContact O-CG 3.49Å; D969-R973 PolarHBondContact O-N 2.95Å; D969-R1022 IonicContact OD1-CZ 2.8Å; D969-R1022 IonicContact OD1-NH1 2.75Å; D969-R1022 PolarHBondContact OD1-NH1 3.21Å; D969-R1022 IonicContact OD1-NH2 3.19Å; D969-R1022 IonicContact OD2-CZ 2.87Å; D969-R1022 IonicContact OD2-NH1 3.9Å; D969-R1022 PolarHBondContact OD2-NH1 3.01Å; D969-R1022 IonicContact OD2-NH2 3.93Å; D969-R1022 PolarHBondContact OD2-NH2 2.89Å |
| 970 | I | 78.4 | Confident | 75.5 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 7% | 0.067 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.7 | -46 | 176.5 | -64.5 | 161.1 | 0 | 0 | 0 | 109.8 | I856 S964 I965 T967 S972 R973 L974 I1007 | I856-I970 HydrophobicContact CD1-CD1 3.75Å; I856-I970 HydrophobicContact CD1-CG1 4.03Å; I856-I970 HydrophobicContact CD1-CG2 3.91Å; I856-I970 HydrophobicContact CG1-CG2 4.36Å; I856-I970 HydrophobicContact CG2-CG1 4.39Å; I856-I970 HydrophobicContact CG2-CG2 4.26Å; S964-I970 WeakPolarHBondContact O-CD1 3.19Å; I965-I970 WeakPolarHBondContact O-CD1 3.22Å; T967-I970 HydrophobicContact CG2-CD1 4.34Å; T967-I970 PolarHBondContact O-N 2.99Å; T967-I970 VanDerWaalsContact OG1-CD1 3.25Å; T967-I970 WeakPolarHBondContact OG1-CD1 3.31Å; T967-I970 VanDerWaalsContact OG1-CG1 3.31Å; T967-I970 WeakPolarHBondContact OG1-CG1 3.45Å; T967-I970 PolarHBondContact OG1-N 2.81Å; I970-S972 VanDerWaalsContact C-N 3.34Å; I970-S972 PolarHBondContact O-N 2.73Å; I970-R973 PolarHBondContact O-N 3.47Å; I970-L974 HydrophobicContact CG2-CD1 3.82Å; I970-L974 HydrophobicContact CG2-CG 4.27Å; I970-L974 WeakPolarHBondContact O-CB 3.45Å; I970-L974 VanDerWaalsContact O-CG 3.3Å; I970-L974 WeakPolarHBondContact O-CG 3.46Å; I970-L974 PolarHBondContact O-N 3.47Å; I970-I1007 HydrophobicContact CG2-CD1 4.33Å |
| 971 | V | 79.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.9 | -44.6 | 176.5 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | T967 W975 L1004 I1007 L1014 L1019 | T967-V971 PolarHBondContact O-N 2.89Å; V971-W975 PolarHBondContact O-N 2.95Å; V971-W975 VanDerWaalsContact O-N 3.13Å; V971-L1004 HydrophobicContact CB-CD1 4.28Å; V971-L1004 HydrophobicContact CG1-CD1 3.85Å; V971-L1004 HydrophobicContact CG2-CD1 4.42Å; V971-I1007 HydrophobicContact CG2-CG2 3.83Å; V971-L1014 HydrophobicContact CG2-CB 4.18Å; V971-L1014 HydrophobicContact CG2-CD1 4.08Å; V971-L1019 HydrophobicContact CG1-CB 3.84Å; V971-L1019 HydrophobicContact CG1-CD1 4.15Å |
| 972 | S | 79.7 | Confident | 75 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 21% | 0.21 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.1 | -43.2 | 177 | -179.7 | 0 | 0 | 0 | 0 | 112.9 | G968 I970 W975 S976 | G968-S972 VanDerWaalsContact O-CB 3.28Å; G968-S972 WeakPolarHBondContact O-CB 3.2Å; G968-S972 PolarHBondContact O-N 2.83Å; I970-S972 VanDerWaalsContact C-N 3.34Å; I970-S972 PolarHBondContact O-N 2.73Å; S972-W975 WeakPolarHBondContact O-CB 3.43Å; S972-W975 PolarHBondContact O-N 2.9Å; S972-S976 PolarHBondContact O-N 3.41Å; S972-S976 PolarHBondContact O-OG 3.25Å |
| 973 | R | 79 | Confident | 74.3 | Confident | 130 Ų | 130 | 35 Ų | 35 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -72.2 | -37.5 | 178.3 | -70.6 | 177.3 | -174.7 | 171 | 3.1 | 113.7 | T860 D969 I970 W975 Q977 | T860-R973 HydrophobicContact CG2-CB 3.62Å; D969-R973 WeakPolarHBondContact O-CB 3.23Å; D969-R973 VanDerWaalsContact O-CG 3.3Å; D969-R973 WeakPolarHBondContact O-CG 3.49Å; D969-R973 PolarHBondContact O-N 2.95Å; I970-R973 PolarHBondContact O-N 3.47Å; R973-W975 PolarHBondContact O-N 2.84Å; R973-Q977 WeakPolarHBondContact O-CB 3.44Å; R973-Q977 PolarHBondContact O-N 3.43Å |
| 974 | L | 79.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -35.2 | 172.5 | -75 | 173.1 | 0 | 0 | 0 | 111 | V859 I970 G978 I979 L1004 I1007 | V859-L974 HydrophobicContact CB-CD2 4.46Å; V859-L974 HydrophobicContact CG1-CD2 3.67Å; I970-L974 HydrophobicContact CG2-CD1 3.82Å; I970-L974 HydrophobicContact CG2-CG 4.27Å; I970-L974 WeakPolarHBondContact O-CB 3.45Å; I970-L974 VanDerWaalsContact O-CG 3.3Å; I970-L974 WeakPolarHBondContact O-CG 3.46Å; I970-L974 PolarHBondContact O-N 3.47Å; L974-G978 CarbonylContact O-C 3.37Å; L974-G978 WeakPolarHBondContact O-CA 3.4Å; L974-G978 PolarHBondContact O-N 3.25Å; L974-I979 PolarHBondContact O-N 3.22Å; L974-L1004 HydrophobicContact CB-CD1 4.29Å; L974-I1007 HydrophobicContact CD1-CD1 3.55Å |
| 975 | W | 81.7 | Confident | 72.4 | Confident | 7 Ų | 7 | 36.7 Ų | 36.7 | 3% | 0.027 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.6 | -60.5 | 171.6 | -177.2 | -89.4 | 0 | 0 | 0 | 112.4 | V971 S972 R973 I979 V980 L1004 L1019 V1023 F1028 L1031 L1050 | V971-W975 PolarHBondContact O-N 2.95Å; V971-W975 VanDerWaalsContact O-N 3.13Å; S972-W975 WeakPolarHBondContact O-CB 3.43Å; S972-W975 PolarHBondContact O-N 2.9Å; R973-W975 PolarHBondContact O-N 2.84Å; W975-I979 HydrophobicContact CE3-CD1 4.01Å; W975-I979 HydrophobicContact CZ3-CD1 4.46Å; W975-I979 CarbonylContact O-C 3.59Å; W975-I979 WeakPolarHBondContact O-CA 3.48Å; W975-I979 WeakPolarHBondContact O-CB 3.18Å; W975-I979 PolarHBondContact O-N 3.45Å; W975-V980 HydrophobicContact CG-CG2 4.44Å; W975-V980 PolarHBondContact O-N 3.26Å; W975-L1004 HydrophobicContact CE3-CD2 3.84Å; W975-L1004 HydrophobicContact CZ3-CD2 4.45Å; W975-L1019 HydrophobicContact CB-CD1 3.74Å; W975-L1019 HydrophobicContact CD2-CD1 3.83Å; W975-L1019 HydrophobicContact CE3-CD1 3.72Å; W975-L1019 HydrophobicContact CE3-CD2 4.34Å; W975-L1019 HydrophobicContact CG-CD1 3.84Å; W975-L1019 HydrophobicContact CZ3-CD2 4.48Å; W975-V1023 HydrophobicContact CG-CG1 4.29Å; W975-V1023 HydrophobicContact CG-CG2 4.28Å; W975-F1028 HydrophobicContact CE3-CD2 4.48Å; W975-F1028 HydrophobicContact CH2-CB 4.49Å; W975-F1028 AromaticContact CH2-CD2 3.48Å; W975-F1028 HydrophobicContact CH2-CD2 3.48Å; W975-F1028 VanDerWaalsContact CH2-CD2 3.48Å; W975-F1028 HydrophobicContact CH2-CE2 4.08Å; W975-F1028 HydrophobicContact CH2-CG 4.35Å; W975-F1028 HydrophobicContact CZ2-CD2 4.32Å; W975-F1028 AromaticContact CZ3-CD2 3.57Å; W975-F1028 HydrophobicContact CZ3-CD2 3.57Å; W975-F1028 AromaticContact CZ3-CE2 3.83Å; W975-F1028 HydrophobicContact CZ3-CE2 3.83Å; W975-L1031 HydrophobicContact CH2-CB 4.18Å; W975-L1031 HydrophobicContact CH2-CD2 4.16Å; W975-L1031 HydrophobicContact CZ2-CB 4.26Å; W975-L1031 HydrophobicContact CZ2-CD1 4.49Å; W975-L1031 HydrophobicContact CZ2-CD2 4.15Å; W975-L1050 HydrophobicContact CH2-CD1 4.29Å; W975-L1050 HydrophobicContact CH2-CD2 4.15Å; W975-L1050 HydrophobicContact CZ3-CD2 3.57Å |
| 976 | S | 79.6 | Confident | 70.9 | Confident | 46 Ų | 46 | 47.9 Ų | 47.9 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -64.6 | -58.9 | -173.5 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | S972 V980 D981 | S972-S976 PolarHBondContact O-N 3.41Å; S972-S976 PolarHBondContact O-OG 3.25Å; S976-V980 WeakPolarHBondContact O-CB 3.26Å; S976-V980 PolarHBondContact O-N 2.85Å; S976-D981 PolarHBondContact O-N 3.05Å |
| 977 | Q | 74.7 | Confident | 69.6 | Low | 47 Ų | 47 | 52.2 Ų | 52.2 | 22% | 0.22 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -83.9 | -17.7 | -171.4 | -61.9 | 168.9 | -60.4 | 0 | 0 | 113.1 | T860 T862 R926 R973 | T860-Q977 PolarHBondContact O-NE2 3.33Å; T860-Q977 PolarHBondContact O-OE1 2.83Å; T862-Q977 PolarHBondContact OG1-NE2 3.32Å; R926-Q977 PolarHBondContact NH2-O 3.39Å; R973-Q977 WeakPolarHBondContact O-CB 3.44Å; R973-Q977 PolarHBondContact O-N 3.43Å |
| 978 | G | 71.4 | Confident | 68 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -106.6 | -22 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L974 S982 T997 C1000 | L974-G978 CarbonylContact O-C 3.37Å; L974-G978 WeakPolarHBondContact O-CA 3.4Å; L974-G978 PolarHBondContact O-N 3.25Å; G978-S982 PolarHBondContact O-OG 3.42Å; G978-T997 WeakPolarHBondContact O-CA 3.18Å; G978-C1000 WeakPolarHBondContact O-CB 3.49Å |
| 979 | I | 74.3 | Confident | 66.9 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -123.8 | -42.5 | -177.9 | -58.9 | 172.7 | 0 | 0 | 0 | 112.6 | L974 W975 S982 S983 T997 C1000 A1001 L1004 L1031 L1046 | L974-I979 PolarHBondContact O-N 3.22Å; W975-I979 HydrophobicContact CE3-CD1 4.01Å; W975-I979 HydrophobicContact CZ3-CD1 4.46Å; W975-I979 CarbonylContact O-C 3.59Å; W975-I979 WeakPolarHBondContact O-CA 3.48Å; W975-I979 WeakPolarHBondContact O-CB 3.18Å; W975-I979 PolarHBondContact O-N 3.45Å; I979-S982 PolarHBondContact O-OG 3.13Å; I979-S983 WeakPolarHBondContact O-CB 3.19Å; I979-S983 PolarHBondContact O-N 3.3Å; I979-S983 PolarHBondContact O-OG 2.94Å; I979-T997 HydrophobicContact CG2-CG2 4.25Å; I979-C1000 HydrophobicContact CG1-CB 3.96Å; I979-A1001 HydrophobicContact CD1-CB 3.93Å; I979-A1001 HydrophobicContact CG1-CB 4.45Å; I979-L1004 HydrophobicContact CD1-CD2 3.71Å; I979-L1031 HydrophobicContact CG2-CD2 3.61Å; I979-L1046 HydrophobicContact CG2-CD1 4.25Å |
| 980 | V | 74.2 | Confident | 66.3 | Low | 39 Ų | 39 | 57.4 Ų | 57.4 | 24% | 0.236 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -77.5 | -58.5 | -178.9 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | W975 S976 S982 S983 T984 | W975-V980 HydrophobicContact CG-CG2 4.44Å; W975-V980 PolarHBondContact O-N 3.26Å; S976-V980 WeakPolarHBondContact O-CB 3.26Å; S976-V980 PolarHBondContact O-N 2.85Å; V980-S982 PolarHBondContact O-N 3.03Å; V980-S983 PolarHBondContact O-N 3.02Å; V980-S983 PolarHBondContact O-OG 3.42Å; V980-S983 VanDerWaalsContact O-OG 3.09Å; V980-T984 HydrophobicContact CG1-CG2 4.02Å; V980-T984 PolarHBondContact O-N 3.45Å; V980-T984 PolarHBondContact O-OG1 3.24Å |
| 981 | D | 66.9 | Low | 66 | Low | 66 Ų | 66 | 60.9 Ų | 60.9 | 35% | 0.353 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -52.9 | -31.2 | -178 | -74.8 | 0.9 | 0 | 0 | 0 | 113.3 | S976 T984 | S976-D981 PolarHBondContact O-N 3.05Å; D981-T984 PolarHBondContact O-OG1 2.77Å |
| 982 | S | 59.2 | Low | 65.7 | Low | 18 Ų | 18 | 62.4 Ų | 62.4 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -88 | -17.4 | -179.8 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | G978 I979 V980 T997 | G978-S982 PolarHBondContact O-OG 3.42Å; I979-S982 PolarHBondContact O-OG 3.13Å; V980-S982 PolarHBondContact O-N 3.03Å; S982-T997 WeakPolarHBondContact CB-OG1 3.11Å; S982-T997 PolarHBondContact OG-OG1 2.95Å |
| 983 | S | 57.7 | Low | 65.4 | Low | 47 Ų | 47 | 63.5 Ų | 63.5 | 33% | 0.329 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -98.9 | -15.6 | 174.7 | 60 | 0 | 0 | 0 | 0 | 113.6 | I979 V980 | I979-S983 WeakPolarHBondContact O-CB 3.19Å; I979-S983 PolarHBondContact O-N 3.3Å; I979-S983 PolarHBondContact O-OG 2.94Å; V980-S983 PolarHBondContact O-N 3.02Å; V980-S983 PolarHBondContact O-OG 3.42Å; V980-S983 VanDerWaalsContact O-OG 3.09Å |
| 984 | T | 57 | Low | 65.1 | Low | 84 Ų | 84 | 60.1 Ų | 60.1 | 52% | 0.515 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -75.8 | -18.6 | 175.4 | 44.4 | 0 | 0 | 0 | 0 | 114.6 | V980 D981 R986 | V980-T984 HydrophobicContact CG1-CG2 4.02Å; V980-T984 PolarHBondContact O-N 3.45Å; V980-T984 PolarHBondContact O-OG1 3.24Å; D981-T984 PolarHBondContact O-OG1 2.77Å; T984-R986 VanDerWaalsContact C-N 3.27Å; T984-R986 PolarHBondContact O-N 2.67Å |
| 985 | N | 50.3 | Low | 64.8 | Low | 85 Ų | 85 | 62.9 Ų | 62.9 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | trans | -73 | 75.6 | 175.1 | -78.6 | -21.5 | 0 | 0 | 0 | 111.9 | T987 | N985-T987 PolarHBondContact O-N 2.81Š| ||
| 986 | R | 42.6 | Very low | 64.7 | Low | 236 Ų | 236 | 62.7 Ų | 62.7 | 89% | 0.891 | 35% | 0.35 | S | S | * | . | trans | -73.6 | 16.7 | -179 | -66.6 | -177.2 | 174.2 | -169.8 | -1.7 | 114.8 | T984 | T984-R986 VanDerWaalsContact C-N 3.27Å; T984-R986 PolarHBondContact O-N 2.67Å | ||
| 987 | T | 44.1 | Very low | 64.7 | Low | 123 Ų | 123 | 60.8 Ų | 60.8 | 76% | 0.755 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -133 | 102.5 | -174.3 | 53 | 0 | 0 | 0 | 0 | 111 | N985 | N985-T987 PolarHBondContact O-N 2.81Š|
| 988 | G | 46.4 | Very low | 64.8 | Low | 62 Ų | 62 | 59.6 Ų | 59.6 | 64% | 0.639 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 77.8 | 104.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | N990 | G988-N990 PolarHBondContact O-N 2.95Š|
| 989 | V | 50.2 | Low | 65.1 | Low | 89 Ų | 89 | 59.8 Ų | 59.8 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | trans | -66.3 | 107.1 | -179.6 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | P991 Q994 | V989-P991 WeakPolarHBondContact O-CD 3.16Å; V989-Q994 HydrophobicContact CG1-CG 4.28Å; V989-Q994 VanDerWaalsContact CG1-OE1 3.3Å | ||
| 990 | N | 65.6 | Low | 65.5 | Low | 84 Ų | 84 | 59.8 Ų | 59.8 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | trans | -87.4 | 107.5 | 171.5 | -117 | -54.4 | 0 | 0 | 0 | 109.1 | G988 I992 Q993 Q994 | G988-N990 PolarHBondContact O-N 2.95Å; N990-I992 PolarHBondContact O-N 3.2Å; N990-I992 VanDerWaalsContact O-N 3.13Å; N990-Q993 HydrophobicContact CB-CB 4.13Å; N990-Q993 HydrophobicContact CB-CG 4.1Å; N990-Q993 WeakPolarHBondContact O-CB 3.23Å; N990-Q993 PolarHBondContact O-N 3.22Å; N990-Q994 PolarHBondContact O-N 3.06Å | ||
| 991 | P | 72 | Confident | 65.8 | Low | 85 Ų | 85 | 58 Ų | 58 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.5 | -28.9 | -171.8 | 23.9 | -34 | 0 | 0 | 0 | 112.9 | V989 Q994 E995 | V989-P991 WeakPolarHBondContact O-CD 3.16Å; P991-Q994 PolarHBondContact O-N 3.47Å; P991-E995 PolarHBondContact O-N 3.02Å |
| 992 | I | 72.8 | Confident | 66.2 | Low | 33 Ų | 33 | 55.5 Ų | 55.5 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.6 | -35.2 | 176.2 | -54.7 | 148.3 | 0 | 0 | 0 | 111.2 | H924 L927 N990 L996 | H924-I992 WeakPolarHBondContact CE1-CD1 3.36Å; L927-I992 HydrophobicContact CD2-CG2 4.04Å; N990-I992 PolarHBondContact O-N 3.2Å; N990-I992 VanDerWaalsContact O-N 3.13Å; I992-L996 VanDerWaalsContact O-CB 3.28Å; I992-L996 WeakPolarHBondContact O-CB 3.31Å; I992-L996 PolarHBondContact O-N 2.86Å |
| 993 | Q | 73 | Confident | 67.2 | Low | 52 Ų | 52 | 54.7 Ų | 54.7 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.7 | -34 | 175.2 | -74.6 | 177.6 | -28.6 | 0 | 0 | 111 | N990 T997 | N990-Q993 HydrophobicContact CB-CB 4.13Å; N990-Q993 HydrophobicContact CB-CG 4.1Å; N990-Q993 WeakPolarHBondContact O-CB 3.23Å; N990-Q993 PolarHBondContact O-N 3.22Å; Q993-T997 WeakPolarHBondContact O-CB 3.25Å; Q993-T997 PolarHBondContact O-N 3.42Å; Q993-T997 PolarHBondContact O-OG1 3.45Å |
| 994 | Q | 72.9 | Confident | 68.4 | Low | 60 Ų | 60 | 52.4 Ų | 52.4 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.6 | -51.4 | 172.8 | -66.4 | -171.8 | -33.1 | 0 | 0 | 111.5 | V989 N990 P991 L996 T997 L998 | V989-Q994 HydrophobicContact CG1-CG 4.28Å; V989-Q994 VanDerWaalsContact CG1-OE1 3.3Å; N990-Q994 PolarHBondContact O-N 3.06Å; P991-Q994 PolarHBondContact O-N 3.47Å; Q994-L996 PolarHBondContact O-N 3.15Å; Q994-T997 WeakPolarHBondContact O-CB 3.35Å; Q994-T997 PolarHBondContact O-N 2.94Å; Q994-L998 WeakPolarHBondContact O-CB 3.32Å; Q994-L998 VanDerWaalsContact O-CG 3.25Å; Q994-L998 WeakPolarHBondContact O-CG 3.49Å; Q994-L998 PolarHBondContact O-N 3.49Å |
| 995 | E | 74.8 | Confident | 69.3 | Low | 57 Ų | 57 | 48.7 Ų | 48.7 | 27% | 0.266 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.7 | -28.8 | 178.4 | -147.8 | -171.2 | -173.3 | 0 | 0 | 112.2 | L927 K931 P991 S999 | L927-E995 HydrophobicContact CD1-CB 3.88Å; L927-E995 HydrophobicContact CD1-CG 4.06Å; L927-E995 WeakPolarHBondContact CD1-O 3.48Å; L927-E995 HydrophobicContact CD2-CB 4.35Å; L927-E995 WeakPolarHBondContact CD2-OE2 3.42Å; K931-E995 WeakPolarHBondContact CE-OE1 3.11Å; K931-E995 IonicContact NZ-OE1 3.36Å; K931-E995 PolarHBondContact NZ-OE1 2.91Å; K931-E995 IonicContact NZ-OE2 3.19Å; K931-E995 PolarHBondContact NZ-OE2 3.47Å; P991-E995 PolarHBondContact O-N 3.02Å; E995-S999 WeakPolarHBondContact O-CB 3.22Å; E995-S999 PolarHBondContact O-N 3.15Å |
| 996 | L | 79.3 | Confident | 70.4 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.3 | -48.5 | 170.1 | 175.2 | 62.1 | 0 | 0 | 0 | 111.7 | R926 I992 Q994 L998 S999 C1000 | R926-L996 HydrophobicContact CB-CD1 4.04Å; R926-L996 HydrophobicContact CB-CD2 3.92Å; I992-L996 VanDerWaalsContact O-CB 3.28Å; I992-L996 WeakPolarHBondContact O-CB 3.31Å; I992-L996 PolarHBondContact O-N 2.86Å; Q994-L996 PolarHBondContact O-N 3.15Å; L996-L998 VanDerWaalsContact C-N 3.3Å; L996-L998 PolarHBondContact O-N 3.01Å; L996-S999 PolarHBondContact O-N 3.43Å; L996-C1000 WeakPolarHBondContact O-CB 3.47Å; L996-C1000 PolarHBondContact O-N 3.47Å; L996-C1000 PolarHBondContact O-SG 3.46Å |
| 997 | T | 79 | Confident | 72.1 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -56.7 | -45.8 | 177.6 | -53 | 0 | 0 | 0 | 0 | 111.1 | G978 I979 S982 Q993 Q994 C1000 A1001 L1046 | G978-T997 WeakPolarHBondContact O-CA 3.18Å; I979-T997 HydrophobicContact CG2-CG2 4.25Å; S982-T997 WeakPolarHBondContact CB-OG1 3.11Å; S982-T997 PolarHBondContact OG-OG1 2.95Å; Q993-T997 WeakPolarHBondContact O-CB 3.25Å; Q993-T997 PolarHBondContact O-N 3.42Å; Q993-T997 PolarHBondContact O-OG1 3.45Å; Q994-T997 WeakPolarHBondContact O-CB 3.35Å; Q994-T997 PolarHBondContact O-N 2.94Å; T997-C1000 PolarHBondContact O-N 3.21Å; T997-A1001 WeakPolarHBondContact O-CB 3.3Å; T997-A1001 PolarHBondContact O-N 3.07Å; T997-L1046 HydrophobicContact CG2-CD1 3.85Å; T997-L1046 HydrophobicContact CG2-CD2 3.87Å; T997-L1046 HydrophobicContact CG2-CG 4.47Å |
| 998 | L | 77.5 | Confident | 73.7 | Confident | 22 Ų | 22 | 27.8 Ų | 27.8 | 12% | 0.115 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.5 | -43.1 | -179.2 | -66.2 | 169.2 | 0 | 0 | 0 | 111.4 | D550 Q994 L996 A1001 S1002 D1045 L1046 R1049 | D550-L998 VanDerWaalsContact OD2-CB 3.28Å; D550-L998 WeakPolarHBondContact OD2-CB 3.22Å; Q994-L998 WeakPolarHBondContact O-CB 3.32Å; Q994-L998 VanDerWaalsContact O-CG 3.25Å; Q994-L998 WeakPolarHBondContact O-CG 3.49Å; Q994-L998 PolarHBondContact O-N 3.49Å; L996-L998 VanDerWaalsContact C-N 3.3Å; L996-L998 PolarHBondContact O-N 3.01Å; L998-A1001 PolarHBondContact O-N 3.47Å; L998-S1002 PolarHBondContact O-N 2.97Å; L998-D1045 HydrophobicContact CD2-CB 3.85Å; L998-L1046 HydrophobicContact CD2-CB 3.96Å; L998-R1049 WeakPolarHBondContact O-CD 3.17Å; L998-R1049 VanDerWaalsContact O-CZ 3.3Å; L998-R1049 PolarHBondContact O-NE 3.48Å; L998-R1049 PolarHBondContact O-NH2 2.92Å |
| 999 | S | 76.8 | Confident | 74.8 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.028 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.1 | -39.2 | 173 | -176 | 0 | 0 | 0 | 0 | 112.4 | S930 K931 E995 L996 A1001 S1002 T1003 | S930-S999 VanDerWaalsContact C-OG 3.23Å; S930-S999 WeakPolarHBondContact CB-OG 3.26Å; S930-S999 PolarHBondContact O-OG 3.09Å; S930-S999 VanDerWaalsContact OG-C 3.27Å; S930-S999 WeakPolarHBondContact OG-CB 3.27Å; S930-S999 PolarHBondContact OG-OG 2.79Å; K931-S999 PolarHBondContact N-OG 3.31Å; E995-S999 WeakPolarHBondContact O-CB 3.22Å; E995-S999 PolarHBondContact O-N 3.15Å; L996-S999 PolarHBondContact O-N 3.43Å; S999-A1001 PolarHBondContact O-N 2.99Å; S999-S1002 WeakPolarHBondContact O-CA 3.28Å; S999-S1002 VanDerWaalsContact O-CB 3.27Å; S999-S1002 WeakPolarHBondContact O-CB 3.07Å; S999-S1002 PolarHBondContact O-N 3.33Å; S999-S1002 VanDerWaalsContact O-N 3.11Å; S999-T1003 WeakPolarHBondContact O-CG2 3.2Å; S999-T1003 PolarHBondContact O-N 3.24Å |
| 1000 | C | 82.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.6 | -68.9 | 0 | 0 | 0 | 0 | 111 | S930 G978 I979 L996 T997 S1002 T1003 L1004 | S930-C1000 PolarHBondContact OG-N 3.12Å; G978-C1000 WeakPolarHBondContact O-CB 3.49Å; I979-C1000 HydrophobicContact CG1-CB 3.96Å; L996-C1000 WeakPolarHBondContact O-CB 3.47Å; L996-C1000 PolarHBondContact O-N 3.47Å; L996-C1000 PolarHBondContact O-SG 3.46Å; T997-C1000 PolarHBondContact O-N 3.21Å; C1000-S1002 PolarHBondContact O-N 3.3Å; C1000-T1003 PolarHBondContact O-N 3.17Å; C1000-T1003 PolarHBondContact O-OG1 3.06Å; C1000-L1004 WeakPolarHBondContact O-CB 3.2Å; C1000-L1004 PolarHBondContact O-N 3.44Å |
| 1001 | A | 81 | Confident | 76.2 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.3 | -27.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I979 T997 L998 S999 A1005 L1046 R1049 | I979-A1001 HydrophobicContact CD1-CB 3.93Å; I979-A1001 HydrophobicContact CG1-CB 4.45Å; T997-A1001 WeakPolarHBondContact O-CB 3.3Å; T997-A1001 PolarHBondContact O-N 3.07Å; L998-A1001 PolarHBondContact O-N 3.47Å; S999-A1001 PolarHBondContact O-N 2.99Å; A1001-A1005 PolarHBondContact O-N 3.05Å; A1001-L1046 HydrophobicContact CB-CD1 3.85Å; A1001-R1049 HydrophobicContact CB-CB 3.78Å; A1001-R1049 HydrophobicContact CB-CG 4.49Å |
| 1002 | S | 76.5 | Confident | 76.2 | Confident | 15 Ų | 15 | 20.6 Ų | 20.6 | 11% | 0.105 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -71.5 | -51.1 | 173.3 | -160.1 | 0 | 0 | 0 | 0 | 111.5 | D934 L998 S999 C1000 L1004 A1005 G1006 | D934-S1002 VanDerWaalsContact CG-CB 3.48Å; D934-S1002 VanDerWaalsContact CG-OG 3.26Å; D934-S1002 WeakPolarHBondContact OD1-CB 3.44Å; D934-S1002 PolarHBondContact OD1-OG 2.7Å; D934-S1002 WeakPolarHBondContact OD2-CB 3.39Å; D934-S1002 PolarHBondContact OD2-OG 2.82Å; L998-S1002 PolarHBondContact O-N 2.97Å; S999-S1002 WeakPolarHBondContact O-CA 3.28Å; S999-S1002 VanDerWaalsContact O-CB 3.27Å; S999-S1002 WeakPolarHBondContact O-CB 3.07Å; S999-S1002 PolarHBondContact O-N 3.33Å; S999-S1002 VanDerWaalsContact O-N 3.11Å; C1000-S1002 PolarHBondContact O-N 3.3Å; S1002-L1004 VanDerWaalsContact C-N 3.25Å; S1002-L1004 PolarHBondContact O-N 3.16Å; S1002-A1005 WeakPolarHBondContact O-CB 3.28Å; S1002-A1005 PolarHBondContact O-N 3.48Å; S1002-G1006 PolarHBondContact O-N 3.4Å |
| 1003 | T | 80 | Confident | 76.2 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56 | -42.4 | 175.2 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | S930 L933 D934 S999 C1000 A1005 G1006 I1007 | S930-T1003 WeakPolarHBondContact O-CG2 3.4Å; L933-T1003 HydrophobicContact CB-CG2 4.02Å; L933-T1003 HydrophobicContact CD2-CG2 4.16Å; L933-T1003 HydrophobicContact CG-CG2 4.08Å; D934-T1003 HydrophobicContact CB-CG2 3.69Å; D934-T1003 PolarHBondContact OD1-N 3.23Å; S999-T1003 WeakPolarHBondContact O-CG2 3.2Å; S999-T1003 PolarHBondContact O-N 3.24Å; C1000-T1003 PolarHBondContact O-N 3.17Å; C1000-T1003 PolarHBondContact O-OG1 3.06Å; T1003-A1005 VanDerWaalsContact C-N 3.33Å; T1003-A1005 PolarHBondContact O-N 3.3Å; T1003-G1006 PolarHBondContact O-N 3.31Å; T1003-I1007 VanDerWaalsContact O-CG1 3.25Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.17Å; T1003-I1007 PolarHBondContact O-N 3.12Å |
| 1004 | L | 83 | Confident | 76.4 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.6 | -41 | 178.8 | -167.3 | 67.2 | 0 | 0 | 0 | 111.6 | V971 L974 W975 I979 C1000 S1002 I1007 I1008 L1019 T1053 | V971-L1004 HydrophobicContact CB-CD1 4.28Å; V971-L1004 HydrophobicContact CG1-CD1 3.85Å; V971-L1004 HydrophobicContact CG2-CD1 4.42Å; L974-L1004 HydrophobicContact CB-CD1 4.29Å; W975-L1004 HydrophobicContact CE3-CD2 3.84Å; W975-L1004 HydrophobicContact CZ3-CD2 4.45Å; I979-L1004 HydrophobicContact CD1-CD2 3.71Å; C1000-L1004 WeakPolarHBondContact O-CB 3.2Å; C1000-L1004 PolarHBondContact O-N 3.44Å; S1002-L1004 VanDerWaalsContact C-N 3.25Å; S1002-L1004 PolarHBondContact O-N 3.16Å; L1004-I1007 PolarHBondContact O-N 3.25Å; L1004-I1008 HydrophobicContact CD1-CD1 4.43Å; L1004-I1008 HydrophobicContact CG-CD1 4.01Å; L1004-I1008 WeakPolarHBondContact O-CB 3.47Å; L1004-I1008 WeakPolarHBondContact O-CD1 3.31Å; L1004-I1008 VanDerWaalsContact O-CG1 3.26Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.24Å; L1004-I1008 PolarHBondContact O-N 3.35Å; L1004-L1019 HydrophobicContact CD2-CD1 4.41Å; L1004-T1053 HydrophobicContact CB-CG2 4.29Å; L1004-T1053 HydrophobicContact CD2-CG2 4.26Å; L1004-T1053 HydrophobicContact CG-CG2 4.21Å |
| 1005 | A | 76 | Confident | 76.6 | Confident | 5 Ų | 5 | 17.2 Ų | 17.2 | 4% | 0.041 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1001 S1002 T1003 R1009 T1053 | A1001-A1005 PolarHBondContact O-N 3.05Å; S1002-A1005 WeakPolarHBondContact O-CB 3.28Å; S1002-A1005 PolarHBondContact O-N 3.48Å; T1003-A1005 VanDerWaalsContact C-N 3.33Å; T1003-A1005 PolarHBondContact O-N 3.3Å; A1005-R1009 VanDerWaalsContact O-CG 3.28Å; A1005-R1009 WeakPolarHBondContact O-CG 3.33Å; A1005-R1009 PolarHBondContact O-N 2.97Å; A1005-T1053 HydrophobicContact CB-CG2 3.75Å |
| 1006 | G | 73.2 | Confident | 76.5 | Confident | 5 Ų | 5 | 14.7 Ų | 14.7 | 5% | 0.052 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | S1002 T1003 I1008 R1009 L1010 | S1002-G1006 PolarHBondContact O-N 3.4Å; T1003-G1006 PolarHBondContact O-N 3.31Å; G1006-I1008 PolarHBondContact O-N 3.42Å; G1006-R1009 WeakPolarHBondContact O-CB 3.37Å; G1006-R1009 PolarHBondContact O-N 3.27Å; G1006-R1009 VanDerWaalsContact O-N 3.15Å; G1006-L1010 PolarHBondContact O-N 3.25Å |
| 1007 | I | 78.6 | Confident | 76.3 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 179.9 | -65.8 | 168.9 | 0 | 0 | 0 | 111 | V937 I965 I970 V971 L974 T1003 L1004 R1009 L1010 N1011 L1014 | V937-I1007 HydrophobicContact CG1-CG1 4.13Å; V937-I1007 HydrophobicContact CG2-CG1 4Å; I965-I1007 HydrophobicContact CG2-CD1 4.08Å; I965-I1007 HydrophobicContact CG2-CG1 3.68Å; I965-I1007 HydrophobicContact CG2-CG2 4.34Å; I970-I1007 HydrophobicContact CG2-CD1 4.33Å; V971-I1007 HydrophobicContact CG2-CG2 3.83Å; L974-I1007 HydrophobicContact CD1-CD1 3.55Å; T1003-I1007 VanDerWaalsContact O-CG1 3.25Å; T1003-I1007 WeakPolarHBondContact O-CG1 3.17Å; T1003-I1007 PolarHBondContact O-N 3.12Å; L1004-I1007 PolarHBondContact O-N 3.25Å; I1007-R1009 VanDerWaalsContact C-N 3.32Å; I1007-R1009 PolarHBondContact O-N 3.38Å; I1007-L1010 PolarHBondContact O-N 3.25Å; I1007-N1011 PolarHBondContact O-N 3.03Å; I1007-L1014 HydrophobicContact CG2-CD1 3.86Å |
| 1008 | I | 76.5 | Confident | 76 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.7 | -31.9 | 175.3 | -70.6 | 164.7 | 0 | 0 | 0 | 111.7 | L1004 G1006 N1011 P1012 F1015 L1019 T1053 A1056 | L1004-I1008 HydrophobicContact CD1-CD1 4.43Å; L1004-I1008 HydrophobicContact CG-CD1 4.01Å; L1004-I1008 WeakPolarHBondContact O-CB 3.47Å; L1004-I1008 WeakPolarHBondContact O-CD1 3.31Å; L1004-I1008 VanDerWaalsContact O-CG1 3.26Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.24Å; L1004-I1008 PolarHBondContact O-N 3.35Å; G1006-I1008 PolarHBondContact O-N 3.42Å; I1008-N1011 CarbonylContact O-C 3.58Å; I1008-N1011 VanDerWaalsContact O-C 3.29Å; I1008-P1012 WeakPolarHBondContact O-CA 3.45Å; I1008-P1012 VanDerWaalsContact O-N 3.08Å; I1008-F1015 HydrophobicContact CD1-CB 4.46Å; I1008-F1015 HydrophobicContact CD1-CD2 4.11Å; I1008-F1015 HydrophobicContact CG1-CB 4.46Å; I1008-F1015 HydrophobicContact CG2-CB 3.91Å; I1008-L1019 HydrophobicContact CD1-CD2 4.43Å; I1008-T1053 HydrophobicContact CD1-CG2 4.27Å; I1008-A1056 HydrophobicContact CG2-CB 3.93Å |
| 1009 | R | 70.9 | Confident | 76 | Confident | 86 Ų | 86 | 16 Ų | 16 | 33% | 0.325 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -68.2 | -36.7 | 171.7 | -70 | 170.6 | -166 | 174.8 | 6.5 | 112.4 | A1005 G1006 I1007 S1052 A1056 I1060 | A1005-R1009 VanDerWaalsContact O-CG 3.28Å; A1005-R1009 WeakPolarHBondContact O-CG 3.33Å; A1005-R1009 PolarHBondContact O-N 2.97Å; G1006-R1009 WeakPolarHBondContact O-CB 3.37Å; G1006-R1009 PolarHBondContact O-N 3.27Å; G1006-R1009 VanDerWaalsContact O-N 3.15Å; I1007-R1009 VanDerWaalsContact C-N 3.32Å; I1007-R1009 PolarHBondContact O-N 3.38Å; R1009-S1052 PolarHBondContact NH2-OG 3.47Å; R1009-A1056 HydrophobicContact CG-CB 3.5Å; R1009-A1056 VanDerWaalsContact CG-CB 3.5Å; R1009-I1060 HydrophobicContact CB-CD1 4.44Å; R1009-I1060 HydrophobicContact CG-CD1 4.35Å |
| 1010 | L | 71.9 | Confident | 76.2 | Confident | 19 Ų | 19 | 17 Ų | 17 | 10% | 0.099 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -70.1 | -36.1 | 177.6 | -68 | 179.2 | 0 | 0 | 0 | 113.2 | V937 I940 H941 Y946 T966 G1006 I1007 | V937-L1010 HydrophobicContact CG1-CD1 3.95Å; I940-L1010 HydrophobicContact CB-CD1 4.35Å; I940-L1010 HydrophobicContact CG2-CD1 3.87Å; I940-L1010 HydrophobicContact CG2-CD2 3.78Å; H941-L1010 HydrophobicContact CB-CD2 4.1Å; Y946-L1010 HydrophobicContact CD1-CD2 3.87Å; T966-L1010 HydrophobicContact CG2-CB 4.43Å; G1006-L1010 PolarHBondContact O-N 3.25Å; I1007-L1010 PolarHBondContact O-N 3.25Å |
| 1011 | N | 72.6 | Confident | 75.9 | Confident | 45 Ų | 45 | 22.1 Ų | 22.1 | 24% | 0.241 | 12% | 0.118 | C | C | . | . | trans | -141.7 | 90.3 | 171.8 | -174.5 | -4.2 | 0 | 0 | 0 | 110.9 | T966 I1007 I1008 N1013 L1014 | T966-N1011 HydrophobicContact CG2-CB 3.96Å; I1007-N1011 PolarHBondContact O-N 3.03Å; I1008-N1011 CarbonylContact O-C 3.58Å; I1008-N1011 VanDerWaalsContact O-C 3.29Å; N1011-N1013 PolarHBondContact O-N 3.35Å; N1011-N1013 WeakPolarHBondContact OD1-CB 3.04Å; N1011-N1013 PolarHBondContact OD1-N 2.98Å; N1011-N1013 PolarHBondContact OD1-ND2 3.44Å; N1011-L1014 HydrophobicContact CB-CD1 3.88Å; N1011-L1014 HydrophobicContact CB-CG 4.09Å; N1011-L1014 VanDerWaalsContact O-CB 3.32Å; N1011-L1014 WeakPolarHBondContact O-CB 3.25Å; N1011-L1014 WeakPolarHBondContact O-CG 3.48Å; N1011-L1014 PolarHBondContact O-N 3.27Å | ||
| 1012 | P | 71.2 | Confident | 75.7 | Confident | 19 Ų | 19 | 27.9 Ų | 27.9 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25.5 | -175.6 | -28.9 | 36.2 | 0 | 0 | 0 | 115.3 | I1008 L1014 F1015 I1060 P1061 | I1008-P1012 WeakPolarHBondContact O-CA 3.45Å; I1008-P1012 VanDerWaalsContact O-N 3.08Å; P1012-L1014 PolarHBondContact O-N 3.4Å; P1012-L1014 VanDerWaalsContact O-N 3.17Å; P1012-F1015 WeakPolarHBondContact O-CB 3.31Å; P1012-F1015 PolarHBondContact O-N 3.09Å; P1012-F1015 VanDerWaalsContact O-N 3.08Å; P1012-I1060 HydrophobicContact CB-CB 4.24Å; P1012-I1060 HydrophobicContact CG-CB 3.71Å; P1012-I1060 HydrophobicContact CG-CD1 4.03Å; P1012-I1060 HydrophobicContact CG-CG1 4.47Å; P1012-I1060 HydrophobicContact CG-CG2 3.65Å; P1012-P1061 HydrophobicContact CB-CG 3.64Å |
| 1013 | N | 72.4 | Confident | 75.5 | Confident | 66 Ų | 66 | 28.9 Ų | 28.9 | 35% | 0.353 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -57.9 | -30.5 | 177 | -59.3 | -69.1 | 0 | 0 | 0 | 112.1 | N1011 F1015 T1016 T1017 T1097 | N1011-N1013 PolarHBondContact O-N 3.35Å; N1011-N1013 WeakPolarHBondContact OD1-CB 3.04Å; N1011-N1013 PolarHBondContact OD1-N 2.98Å; N1011-N1013 PolarHBondContact OD1-ND2 3.44Å; N1013-F1015 PolarHBondContact O-N 3.39Å; N1013-T1016 PolarHBondContact O-N 2.69Å; N1013-T1016 PolarHBondContact O-OG1 3.44Å; N1013-T1017 PolarHBondContact O-N 3.38Å; N1013-T1017 PolarHBondContact O-OG1 3.49Å; N1013-T1097 HydrophobicContact CB-CG2 3.94Å; N1013-T1097 WeakPolarHBondContact OD1-CB 3.25Å; N1013-T1097 VanDerWaalsContact OD1-CG2 3.31Å; N1013-T1097 WeakPolarHBondContact OD1-CG2 3.23Å; N1013-T1097 PolarHBondContact OD1-OG1 3.26Å |
| 1014 | L | 78.2 | Confident | 75.2 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -23.2 | 178.6 | -65 | 174.4 | 0 | 0 | 0 | 113.9 | T966 V971 I1007 N1011 P1012 T1016 G1018 L1019 | T966-L1014 HydrophobicContact CG2-CD1 4.33Å; T966-L1014 WeakPolarHBondContact O-CD2 3.49Å; V971-L1014 HydrophobicContact CG2-CB 4.18Å; V971-L1014 HydrophobicContact CG2-CD1 4.08Å; I1007-L1014 HydrophobicContact CG2-CD1 3.86Å; N1011-L1014 HydrophobicContact CB-CD1 3.88Å; N1011-L1014 HydrophobicContact CB-CG 4.09Å; N1011-L1014 VanDerWaalsContact O-CB 3.32Å; N1011-L1014 WeakPolarHBondContact O-CB 3.25Å; N1011-L1014 WeakPolarHBondContact O-CG 3.48Å; N1011-L1014 PolarHBondContact O-N 3.27Å; P1012-L1014 PolarHBondContact O-N 3.4Å; P1012-L1014 VanDerWaalsContact O-N 3.17Å; L1014-T1016 VanDerWaalsContact C-N 3.29Å; L1014-T1016 PolarHBondContact O-N 3.3Å; L1014-G1018 CarbonylContact O-C 3.47Å; L1014-G1018 WeakPolarHBondContact O-CA 3.44Å; L1014-G1018 PolarHBondContact O-N 3.4Å; L1014-L1019 PolarHBondContact O-N 3.07Å |
| 1015 | F | 77.3 | Confident | 74.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -61.5 | -43.7 | 171.4 | 179.5 | -113 | 0 | 0 | 0 | 110.4 | I1008 P1012 N1013 L1019 I1020 F1028 A1054 L1058 L1104 | I1008-F1015 HydrophobicContact CD1-CB 4.46Å; I1008-F1015 HydrophobicContact CD1-CD2 4.11Å; I1008-F1015 HydrophobicContact CG1-CB 4.46Å; I1008-F1015 HydrophobicContact CG2-CB 3.91Å; P1012-F1015 WeakPolarHBondContact O-CB 3.31Å; P1012-F1015 PolarHBondContact O-N 3.09Å; P1012-F1015 VanDerWaalsContact O-N 3.08Å; N1013-F1015 PolarHBondContact O-N 3.39Å; F1015-L1019 HydrophobicContact CD2-CD2 3.95Å; F1015-L1019 HydrophobicContact CE2-CD2 4.01Å; F1015-L1019 WeakPolarHBondContact O-CB 3.18Å; F1015-I1020 HydrophobicContact CD1-CG1 4.43Å; F1015-I1020 HydrophobicContact CE1-CG1 4.08Å; F1015-I1020 HydrophobicContact CE2-CD1 4.31Å; F1015-I1020 HydrophobicContact CE2-CG1 4.26Å; F1015-I1020 HydrophobicContact CZ-CD1 4.04Å; F1015-I1020 HydrophobicContact CZ-CG1 3.99Å; F1015-I1020 WeakPolarHBondContact O-CG1 3.37Å; F1015-I1020 PolarHBondContact O-N 3.01Å; F1015-F1028 HydrophobicContact CE2-CE1 4.01Å; F1015-F1028 HydrophobicContact CE2-CE2 4.1Å; F1015-F1028 AromaticContact CE2-CZ 3.74Å; F1015-F1028 HydrophobicContact CE2-CZ 3.74Å; F1015-F1028 AromaticContact CZ-CE1 3.97Å; F1015-F1028 HydrophobicContact CZ-CE1 3.97Å; F1015-F1028 HydrophobicContact CZ-CZ 4.17Å; F1015-A1054 HydrophobicContact CZ-CB 4.44Å; F1015-L1058 HydrophobicContact CD1-CD2 4.38Å; F1015-L1058 HydrophobicContact CD1-CG 4.43Å; F1015-L1058 HydrophobicContact CE1-CD1 4.46Å; F1015-L1058 HydrophobicContact CE1-CD2 3.85Å; F1015-L1058 HydrophobicContact CE1-CG 3.83Å; F1015-L1104 HydrophobicContact CE1-CD2 3.74Å; F1015-L1104 HydrophobicContact CZ-CD2 3.85Å |
| 1016 | T | 72.6 | Confident | 74.8 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -75.8 | -60.5 | 174.8 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | N1013 L1014 G1018 I1020 D1021 T1097 A1100 | N1013-T1016 PolarHBondContact O-N 2.69Å; N1013-T1016 PolarHBondContact O-OG1 3.44Å; L1014-T1016 VanDerWaalsContact C-N 3.29Å; L1014-T1016 PolarHBondContact O-N 3.3Å; T1016-G1018 PolarHBondContact O-N 3.06Å; T1016-I1020 PolarHBondContact O-N 3.45Å; T1016-D1021 VanDerWaalsContact O-CB 3.28Å; T1016-D1021 WeakPolarHBondContact O-CB 3.37Å; T1016-D1021 PolarHBondContact O-N 2.9Å; T1016-T1097 VanDerWaalsContact OG1-CG2 3.26Å; T1016-T1097 WeakPolarHBondContact OG1-CG2 3.4Å; T1016-A1100 HydrophobicContact CG2-CB 3.5Å |
| 1017 | T | 74.6 | Confident | 74.9 | Confident | 60 Ų | 60 | 37.1 Ų | 37.1 | 37% | 0.368 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -82.2 | -17.6 | -168.2 | 62.3 | 0 | 0 | 0 | 0 | 115.2 | N1013 D1021 T1097 | N1013-T1017 PolarHBondContact O-N 3.38Å; N1013-T1017 PolarHBondContact O-OG1 3.49Å; T1017-D1021 WeakPolarHBondContact CA-OD2 3.45Å; T1017-T1097 HydrophobicContact CG2-CG2 4.21Å |
| 1018 | G | 72.5 | Confident | 75 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -107.2 | -37.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1014 T1016 | L1014-G1018 CarbonylContact O-C 3.47Å; L1014-G1018 WeakPolarHBondContact O-CA 3.44Å; L1014-G1018 PolarHBondContact O-N 3.4Å; T1016-G1018 PolarHBondContact O-N 3.06Å |
| 1019 | L | 77.8 | Confident | 75.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -99.6 | -71.4 | 179.8 | -163.6 | 70 | 0 | 0 | 0 | 111.7 | V971 W975 L1004 I1008 L1014 F1015 D1021 R1022 V1023 F1028 | V971-L1019 HydrophobicContact CG1-CB 3.84Å; V971-L1019 HydrophobicContact CG1-CD1 4.15Å; W975-L1019 HydrophobicContact CB-CD1 3.74Å; W975-L1019 HydrophobicContact CD2-CD1 3.83Å; W975-L1019 HydrophobicContact CE3-CD1 3.72Å; W975-L1019 HydrophobicContact CE3-CD2 4.34Å; W975-L1019 HydrophobicContact CG-CD1 3.84Å; W975-L1019 HydrophobicContact CZ3-CD2 4.48Å; L1004-L1019 HydrophobicContact CD2-CD1 4.41Å; I1008-L1019 HydrophobicContact CD1-CD2 4.43Å; L1014-L1019 PolarHBondContact O-N 3.07Å; F1015-L1019 HydrophobicContact CD2-CD2 3.95Å; F1015-L1019 HydrophobicContact CE2-CD2 4.01Å; F1015-L1019 WeakPolarHBondContact O-CB 3.18Å; L1019-D1021 PolarHBondContact O-N 3.02Å; L1019-R1022 PolarHBondContact O-N 2.94Å; L1019-V1023 HydrophobicContact CD1-CG2 4.13Å; L1019-V1023 WeakPolarHBondContact O-CB 3.46Å; L1019-V1023 WeakPolarHBondContact O-CG2 3.33Å; L1019-V1023 PolarHBondContact O-N 3.11Å; L1019-F1028 HydrophobicContact CD2-CD2 3.69Å; L1019-F1028 HydrophobicContact CD2-CE2 3.72Å; L1019-F1028 HydrophobicContact CG-CD2 4.49Å |
| 1020 | I | 80.1 | Confident | 75.2 | Confident | 23 Ų | 23 | 35.7 Ų | 35.7 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -63.1 | -45.6 | -171 | -62 | -64.6 | 0 | 0 | 0 | 112.5 | F1015 T1016 R1022 G1024 F1028 L1104 | F1015-I1020 HydrophobicContact CD1-CG1 4.43Å; F1015-I1020 HydrophobicContact CE1-CG1 4.08Å; F1015-I1020 HydrophobicContact CE2-CD1 4.31Å; F1015-I1020 HydrophobicContact CE2-CG1 4.26Å; F1015-I1020 HydrophobicContact CZ-CD1 4.04Å; F1015-I1020 HydrophobicContact CZ-CG1 3.99Å; F1015-I1020 WeakPolarHBondContact O-CG1 3.37Å; F1015-I1020 PolarHBondContact O-N 3.01Å; T1016-I1020 PolarHBondContact O-N 3.45Å; I1020-R1022 VanDerWaalsContact C-N 3.28Å; I1020-R1022 PolarHBondContact O-N 3.5Å; I1020-G1024 WeakPolarHBondContact O-CA 3.43Å; I1020-G1024 PolarHBondContact O-N 2.85Å; I1020-F1028 HydrophobicContact CD1-CB 3.94Å; I1020-F1028 HydrophobicContact CD1-CD1 4.03Å; I1020-F1028 HydrophobicContact CD1-CG 3.96Å; I1020-L1104 HydrophobicContact CD1-CD1 4.35Å; I1020-L1104 HydrophobicContact CD1-CD2 4.34Å |
| 1021 | D | 77.9 | Confident | 75.4 | Confident | 108 Ų | 108 | 37 Ų | 37 | 58% | 0.578 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -70.6 | -20.4 | -177.7 | -68.9 | -22.3 | 0 | 0 | 0 | 113.4 | T1016 T1017 L1019 | T1016-D1021 VanDerWaalsContact O-CB 3.28Å; T1016-D1021 WeakPolarHBondContact O-CB 3.37Å; T1016-D1021 PolarHBondContact O-N 2.9Å; T1017-D1021 WeakPolarHBondContact CA-OD2 3.45Å; L1019-D1021 PolarHBondContact O-N 3.02Å |
| 1022 | R | 76 | Confident | 75.5 | Confident | 121 Ų | 121 | 35 Ų | 35 | 46% | 0.457 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -105.9 | -28.3 | -177.7 | -69.8 | -177.9 | 167.7 | -145.8 | 8.3 | 114.4 | D969 L1019 I1020 | D969-R1022 IonicContact OD1-CZ 2.8Å; D969-R1022 IonicContact OD1-NH1 2.75Å; D969-R1022 PolarHBondContact OD1-NH1 3.21Å; D969-R1022 IonicContact OD1-NH2 3.19Å; D969-R1022 IonicContact OD2-CZ 2.87Å; D969-R1022 IonicContact OD2-NH1 3.9Å; D969-R1022 PolarHBondContact OD2-NH1 3.01Å; D969-R1022 IonicContact OD2-NH2 3.93Å; D969-R1022 PolarHBondContact OD2-NH2 2.89Å; L1019-R1022 PolarHBondContact O-N 2.94Å; I1020-R1022 VanDerWaalsContact C-N 3.28Å; I1020-R1022 PolarHBondContact O-N 3.5Å |
| 1023 | V | 73.2 | Confident | 75.5 | Confident | 37 Ų | 37 | 38.5 Ų | 38.5 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -103.7 | -24.5 | -178.2 | -179.2 | 0 | 0 | 0 | 0 | 111.5 | W975 L1019 A1027 | W975-V1023 HydrophobicContact CG-CG1 4.29Å; W975-V1023 HydrophobicContact CG-CG2 4.28Å; L1019-V1023 HydrophobicContact CD1-CG2 4.13Å; L1019-V1023 WeakPolarHBondContact O-CB 3.46Å; L1019-V1023 WeakPolarHBondContact O-CG2 3.33Å; L1019-V1023 PolarHBondContact O-N 3.11Å; V1023-A1027 HydrophobicContact CG1-CB 3.92Å |
| 1024 | G | 73 | Confident | 74.8 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 27% | 0.268 | 23% | 0.232 | S | C | . | . | trans | 87.2 | 140.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I1020 S1026 A1027 F1028 | I1020-G1024 WeakPolarHBondContact O-CA 3.43Å; I1020-G1024 PolarHBondContact O-N 2.85Å; G1024-S1026 VanDerWaalsContact C-N 3.25Å; G1024-S1026 PolarHBondContact O-N 2.76Å; G1024-A1027 PolarHBondContact O-N 3.09Å; G1024-F1028 PolarHBondContact O-N 3.26Å | ||
| 1025 | S | 75.1 | Confident | 73.8 | Confident | 28 Ų | 28 | 41.3 Ų | 41.3 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -36.2 | 178.2 | 65.3 | 0 | 0 | 0 | 0 | 112.2 | A1027 F1028 I1029 E1107 | S1025-A1027 PolarHBondContact O-N 2.81Å; S1025-F1028 PolarHBondContact O-N 3.45Å; S1025-I1029 WeakPolarHBondContact O-CB 3.26Å; S1025-I1029 WeakPolarHBondContact O-CD1 3.48Å; S1025-I1029 WeakPolarHBondContact O-CG1 3.29Å; S1025-I1029 PolarHBondContact O-N 3Å; S1025-E1107 WeakPolarHBondContact CB-OE2 3.41Å; S1025-E1107 PolarHBondContact OG-OE1 3.15Å; S1025-E1107 PolarHBondContact OG-OE2 3.32Å |
| 1026 | S | 75.4 | Confident | 72.5 | Confident | 88 Ų | 88 | 46.9 Ų | 46.9 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.8 | -40.5 | 179 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | G1024 G1030 | G1024-S1026 VanDerWaalsContact C-N 3.25Å; G1024-S1026 PolarHBondContact O-N 2.76Å; S1026-G1030 PolarHBondContact O-N 2.77Å |
| 1027 | A | 76 | Confident | 71.2 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 33% | 0.331 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -74.2 | -34.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1023 G1024 S1025 L1031 | V1023-A1027 HydrophobicContact CG1-CB 3.92Å; G1024-A1027 PolarHBondContact O-N 3.09Å; S1025-A1027 PolarHBondContact O-N 2.81Å; A1027-L1031 PolarHBondContact O-N 3.1Å |
| 1028 | F | 79.3 | Confident | 69.6 | Low | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.6 | -46.7 | 172.4 | -174.8 | -101.5 | 0 | 0 | 0 | 111.8 | W975 F1015 L1019 I1020 G1024 S1025 L1031 I1032 A1054 | W975-F1028 HydrophobicContact CE3-CD2 4.48Å; W975-F1028 HydrophobicContact CH2-CB 4.49Å; W975-F1028 AromaticContact CH2-CD2 3.48Å; W975-F1028 HydrophobicContact CH2-CD2 3.48Å; W975-F1028 VanDerWaalsContact CH2-CD2 3.48Å; W975-F1028 HydrophobicContact CH2-CE2 4.08Å; W975-F1028 HydrophobicContact CH2-CG 4.35Å; W975-F1028 HydrophobicContact CZ2-CD2 4.32Å; W975-F1028 AromaticContact CZ3-CD2 3.57Å; W975-F1028 HydrophobicContact CZ3-CD2 3.57Å; W975-F1028 AromaticContact CZ3-CE2 3.83Å; W975-F1028 HydrophobicContact CZ3-CE2 3.83Å; F1015-F1028 HydrophobicContact CE2-CE1 4.01Å; F1015-F1028 HydrophobicContact CE2-CE2 4.1Å; F1015-F1028 AromaticContact CE2-CZ 3.74Å; F1015-F1028 HydrophobicContact CE2-CZ 3.74Å; F1015-F1028 AromaticContact CZ-CE1 3.97Å; F1015-F1028 HydrophobicContact CZ-CE1 3.97Å; F1015-F1028 HydrophobicContact CZ-CZ 4.17Å; L1019-F1028 HydrophobicContact CD2-CD2 3.69Å; L1019-F1028 HydrophobicContact CD2-CE2 3.72Å; L1019-F1028 HydrophobicContact CG-CD2 4.49Å; I1020-F1028 HydrophobicContact CD1-CB 3.94Å; I1020-F1028 HydrophobicContact CD1-CD1 4.03Å; I1020-F1028 HydrophobicContact CD1-CG 3.96Å; G1024-F1028 PolarHBondContact O-N 3.26Å; S1025-F1028 PolarHBondContact O-N 3.45Å; F1028-L1031 PolarHBondContact O-N 2.83Å; F1028-I1032 HydrophobicContact CD1-CD1 3.88Å; F1028-I1032 HydrophobicContact CE1-CD1 3.38Å; F1028-I1032 HydrophobicContact CE2-CD1 4.32Å; F1028-I1032 HydrophobicContact CZ-CD1 3.62Å; F1028-I1032 WeakPolarHBondContact O-CG1 3.14Å; F1028-A1054 HydrophobicContact CE1-CB 4.09Å; F1028-A1054 HydrophobicContact CZ-CB 4Å |
| 1029 | I | 78.1 | Confident | 67.9 | Low | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.051 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 176.8 | -66.9 | 163.8 | 0 | 0 | 0 | 110.7 | S1025 L1031 I1032 E1033 F1110 | S1025-I1029 WeakPolarHBondContact O-CB 3.26Å; S1025-I1029 WeakPolarHBondContact O-CD1 3.48Å; S1025-I1029 WeakPolarHBondContact O-CG1 3.29Å; S1025-I1029 PolarHBondContact O-N 3Å; I1029-L1031 VanDerWaalsContact C-N 3.28Å; I1029-L1031 PolarHBondContact O-N 3.46Å; I1029-I1032 CarbonylContact O-C 3.52Å; I1029-I1032 WeakPolarHBondContact O-CA 3.35Å; I1029-I1032 PolarHBondContact O-N 2.82Å; I1029-E1033 PolarHBondContact O-N 2.63Å; I1029-F1110 HydrophobicContact CD1-CB 4.02Å; I1029-F1110 HydrophobicContact CG1-CB 4.38Å; I1029-F1110 HydrophobicContact CG1-CD2 4.17Å |
| 1030 | G | 75 | Confident | 66.4 | Low | 48 Ų | 48 | 62.2 Ų | 62.2 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.2 | -21.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S1026 | S1026-G1030 PolarHBondContact O-N 2.77Å |
| 1031 | L | 75 | Confident | 64.8 | Low | 47 Ų | 47 | 66.4 Ų | 66.4 | 25% | 0.246 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -84.9 | -13.8 | 169.4 | -115.9 | 85.7 | 0 | 0 | 0 | 113.4 | W975 I979 A1027 F1028 I1029 L1050 | W975-L1031 HydrophobicContact CH2-CB 4.18Å; W975-L1031 HydrophobicContact CH2-CD2 4.16Å; W975-L1031 HydrophobicContact CZ2-CB 4.26Å; W975-L1031 HydrophobicContact CZ2-CD1 4.49Å; W975-L1031 HydrophobicContact CZ2-CD2 4.15Å; I979-L1031 HydrophobicContact CG2-CD2 3.61Å; A1027-L1031 PolarHBondContact O-N 3.1Å; F1028-L1031 PolarHBondContact O-N 2.83Å; I1029-L1031 VanDerWaalsContact C-N 3.28Å; I1029-L1031 PolarHBondContact O-N 3.46Å; L1031-L1050 HydrophobicContact CB-CD1 4.03Å; L1031-L1050 HydrophobicContact CD2-CD1 4.03Å |
| 1032 | I | 75.8 | Confident | 63.5 | Low | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -98.4 | -26.9 | 178.7 | -66.1 | 174.1 | 0 | 0 | 0 | 111.1 | F1028 I1029 L1050 L1051 T1113 H1117 | F1028-I1032 HydrophobicContact CD1-CD1 3.88Å; F1028-I1032 HydrophobicContact CE1-CD1 3.38Å; F1028-I1032 HydrophobicContact CE2-CD1 4.32Å; F1028-I1032 HydrophobicContact CZ-CD1 3.62Å; F1028-I1032 WeakPolarHBondContact O-CG1 3.14Å; I1029-I1032 CarbonylContact O-C 3.52Å; I1029-I1032 WeakPolarHBondContact O-CA 3.35Å; I1029-I1032 PolarHBondContact O-N 2.82Å; I1032-L1050 HydrophobicContact CD1-CB 4.12Å; I1032-L1050 HydrophobicContact CG1-CB 3.98Å; I1032-L1050 HydrophobicContact CG1-CD1 4.19Å; I1032-L1051 HydrophobicContact CG2-CD2 4.13Å; I1032-T1113 HydrophobicContact CG2-CG2 3.96Å; I1032-H1117 PolarHBondContact O-CE1 3.33Å; I1032-H1117 VanDerWaalsContact O-CE1 3.31Å; I1032-H1117 PolarHBondContact O-NE2 3.05Å |
| 1033 | E | 69.2 | Low | 63 | Low | 93 Ų | 93 | 64.8 Ų | 64.8 | 44% | 0.435 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -64.4 | 124.5 | -179.9 | -166.2 | 167.6 | -165 | 0 | 0 | 111.5 | I1029 T1113 R1116 | I1029-E1033 PolarHBondContact O-N 2.63Å; E1033-T1113 HydrophobicContact CB-CG2 4.31Å; E1033-R1116 IonicContact OE1-CZ 2.59Å; E1033-R1116 IonicContact OE1-NH1 3.85Å; E1033-R1116 PolarHBondContact OE1-NH1 3.43Å |
| 1034 | P | 59.2 | Low | 62.8 | Low | 64 Ų | 64 | 64 Ų | 64 | 42% | 0.416 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 131.8 | -175.1 | 27.5 | -34.1 | 0 | 0 | 0 | 111.2 | ||
| 1035 | P | 55.9 | Low | 62.6 | Low | 68 Ų | 68 | 65.6 Ų | 65.6 | 44% | 0.442 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 144 | 176.9 | 30.3 | -35.4 | 0 | 0 | 0 | 111 | S1037 | P1035-S1037 PolarHBondContact O-N 3.25Š|
| 1036 | A | 51.7 | Low | 62.6 | Low | 118 Ų | 118 | 65.2 Ų | 65.2 | 98% | 0.975 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -70.8 | 12.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1037 | S | 44.7 | Very low | 62.8 | Low | 83 Ų | 83 | 61.7 Ų | 61.7 | 58% | 0.58 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -144 | 84 | -163.9 | 62.7 | 0 | 0 | 0 | 0 | 115 | P1035 L1039 | P1035-S1037 PolarHBondContact O-N 3.25Å; S1037-L1039 VanDerWaalsContact C-N 3.32Å; S1037-L1039 PolarHBondContact O-N 3.1Å |
| 1038 | G | 40.6 | Very low | 62.7 | Low | 83 Ų | 83 | 60 Ų | 60 | 86% | 0.856 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 67.4 | -40.5 | 145.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | A1040 | G1038-A1040 VanDerWaalsContact C-N 3.27Å; G1038-A1040 PolarHBondContact O-N 3.28Å |
| 1039 | L | 37.3 | Very low | 62.4 | Low | 160 Ų | 160 | 60.3 Ų | 60.3 | 84% | 0.838 | 39% | 0.39 | S | S | * | . | trans | -86.7 | 53 | -164.1 | -72.7 | 158.9 | 0 | 0 | 0 | 113.4 | S1037 C1041 | S1037-L1039 VanDerWaalsContact C-N 3.32Å; S1037-L1039 PolarHBondContact O-N 3.1Å; L1039-C1041 PolarHBondContact O-N 3.13Å | ||
| 1040 | A | 46.3 | Very low | 62.6 | Low | 59 Ų | 59 | 59.8 Ų | 59.8 | 49% | 0.488 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -72 | -31.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | G1038 Q1042 Q1043 | G1038-A1040 VanDerWaalsContact C-N 3.27Å; G1038-A1040 PolarHBondContact O-N 3.28Å; A1040-Q1042 VanDerWaalsContact C-N 3.27Å; A1040-Q1042 PolarHBondContact O-N 2.83Å; A1040-Q1042 VanDerWaalsContact O-N 3.08Å; A1040-Q1043 PolarHBondContact O-N 3.47Å |
| 1041 | C | 46.5 | Very low | 62.9 | Low | 111 Ų | 111 | 57.5 Ų | 57.5 | 75% | 0.75 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -71.6 | -9.1 | -159 | -145.3 | 0 | 0 | 0 | 0 | 116.4 | L1039 T1044 | L1039-C1041 PolarHBondContact O-N 3.13Å; C1041-T1044 PolarHBondContact O-OG1 3.37Å |
| 1042 | Q | 50.6 | Low | 62.8 | Low | 101 Ų | 101 | 55.9 Ų | 55.9 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -112.2 | -20.3 | -178.4 | -70.6 | 174.3 | -10 | 0 | 0 | 113.4 | A1040 | A1040-Q1042 VanDerWaalsContact C-N 3.27Å; A1040-Q1042 PolarHBondContact O-N 2.83Å; A1040-Q1042 VanDerWaalsContact O-N 3.08Å |
| 1043 | Q | 64.5 | Low | 62.7 | Low | 94 Ų | 94 | 55.8 Ų | 55.8 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -19.5 | 173.4 | -71.4 | -176.8 | -23.2 | 0 | 0 | 112.1 | A1040 D1045 L1046 V1047 | A1040-Q1043 PolarHBondContact O-N 3.47Å; Q1043-D1045 VanDerWaalsContact C-N 3.33Å; Q1043-D1045 PolarHBondContact O-N 3.19Å; Q1043-L1046 PolarHBondContact O-N 2.99Å; Q1043-V1047 WeakPolarHBondContact O-CB 3.22Å; Q1043-V1047 WeakPolarHBondContact O-CG2 3.5Å; Q1043-V1047 PolarHBondContact O-N 2.78Å |
| 1044 | T | 69.9 | Low | 63 | Low | 20 Ų | 20 | 51.3 Ų | 51.3 | 12% | 0.123 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.9 | -42.9 | -175.6 | 34.5 | 0 | 0 | 0 | 0 | 113.6 | C1041 A1048 H1122 I1125 | C1041-T1044 PolarHBondContact O-OG1 3.37Å; T1044-A1048 WeakPolarHBondContact O-CB 3.39Å; T1044-A1048 PolarHBondContact O-N 3.39Å; T1044-H1122 HydrophobicContact CG2-CB 3.93Å; T1044-I1125 HydrophobicContact CG2-CD1 3.89Å |
| 1045 | D | 69.2 | Low | 63.6 | Low | 61 Ų | 61 | 48.6 Ų | 48.6 | 33% | 0.326 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -82.9 | -27.4 | -174.1 | -55.7 | -33.3 | 0 | 0 | 0 | 112 | L998 Q1043 R1049 H1122 | L998-D1045 HydrophobicContact CD2-CB 3.85Å; Q1043-D1045 VanDerWaalsContact C-N 3.33Å; Q1043-D1045 PolarHBondContact O-N 3.19Å; D1045-R1049 WeakPolarHBondContact O-CG 3.35Å; D1045-R1049 PolarHBondContact O-N 3.25Å; D1045-R1049 VanDerWaalsContact O-N 3.09Å; D1045-H1122 IonicContact OD1-CE1 2.99Å |
| 1046 | L | 74.2 | Confident | 64.1 | Low | 20 Ų | 20 | 45.7 Ų | 45.7 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.3 | -52.4 | 169.6 | -179.7 | 56.3 | 0 | 0 | 0 | 110.4 | I979 T997 L998 A1001 Q1043 A1048 R1049 L1050 | I979-L1046 HydrophobicContact CG2-CD1 4.25Å; T997-L1046 HydrophobicContact CG2-CD1 3.85Å; T997-L1046 HydrophobicContact CG2-CD2 3.87Å; T997-L1046 HydrophobicContact CG2-CG 4.47Å; L998-L1046 HydrophobicContact CD2-CB 3.96Å; A1001-L1046 HydrophobicContact CB-CD1 3.85Å; Q1043-L1046 PolarHBondContact O-N 2.99Å; L1046-A1048 VanDerWaalsContact C-N 3.28Å; L1046-A1048 PolarHBondContact O-N 3.02Å; L1046-R1049 PolarHBondContact O-N 2.75Å; L1046-L1050 HydrophobicContact CD1-CD1 4.32Å; L1046-L1050 HydrophobicContact CD1-CG 4.22Å; L1046-L1050 HydrophobicContact CG-CD1 4.2Å; L1046-L1050 HydrophobicContact CG-CG 4.47Å; L1046-L1050 WeakPolarHBondContact O-CG 3.43Å; L1046-L1050 PolarHBondContact O-N 3.29Å |
| 1047 | V | 78.9 | Confident | 64.8 | Low | 13 Ų | 13 | 40.1 Ų | 40.1 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 176.2 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | Q1043 R1049 L1050 L1051 I1125 | Q1043-V1047 WeakPolarHBondContact O-CB 3.22Å; Q1043-V1047 WeakPolarHBondContact O-CG2 3.5Å; Q1043-V1047 PolarHBondContact O-N 2.78Å; V1047-R1049 VanDerWaalsContact C-N 3.3Å; V1047-R1049 PolarHBondContact O-N 3.13Å; V1047-L1050 PolarHBondContact O-N 3.46Å; V1047-L1051 HydrophobicContact CG1-CD1 3.88Å; V1047-L1051 HydrophobicContact CG1-CG 4.22Å; V1047-L1051 WeakPolarHBondContact O-CB 3.13Å; V1047-L1051 VanDerWaalsContact O-CG 3.27Å; V1047-L1051 WeakPolarHBondContact O-CG 3.46Å; V1047-L1051 PolarHBondContact O-N 2.86Å; V1047-I1125 HydrophobicContact CB-CD1 4.36Å; V1047-I1125 HydrophobicContact CG1-CD1 4.18Å; V1047-I1125 HydrophobicContact CG1-CG1 4.47Å; V1047-I1125 HydrophobicContact CG1-CG2 4.47Å |
| 1048 | A | 74.5 | Confident | 66.1 | Low | 4 Ų | 4 | 36.1 Ų | 36.1 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.1 | -33 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T1044 L1046 S1052 M1124 I1125 K1128 | T1044-A1048 WeakPolarHBondContact O-CB 3.39Å; T1044-A1048 PolarHBondContact O-N 3.39Å; L1046-A1048 VanDerWaalsContact C-N 3.28Å; L1046-A1048 PolarHBondContact O-N 3.02Å; A1048-S1052 PolarHBondContact O-N 2.86Å; A1048-M1124 HydrophobicContact CB-CG 3.84Å; A1048-I1125 HydrophobicContact CB-CG1 4.42Å; A1048-K1128 WeakPolarHBondContact O-CD 3.46Å; A1048-K1128 WeakPolarHBondContact O-CE 3.42Å; A1048-K1128 PolarHBondContact O-NZ 3.26Å |
| 1049 | R | 74.1 | Confident | 67.3 | Low | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -75.9 | -41.1 | 172.6 | -77.1 | -177 | 170.9 | 101.5 | -30.2 | 112.8 | D550 L998 A1001 D1045 L1046 V1047 L1051 S1052 T1053 | D550-R1049 VanDerWaalsContact CG-NH1 3.32Å; D550-R1049 IonicContact OD1-CZ 3.46Å; D550-R1049 IonicContact OD1-NH1 3.34Å; D550-R1049 PolarHBondContact OD1-NH1 3.01Å; D550-R1049 IonicContact OD1-NH2 3.56Å; D550-R1049 PolarHBondContact OD1-NH2 2.67Å; D550-R1049 IonicContact OD2-CZ 2.86Å; D550-R1049 IonicContact OD2-NH1 2.9Å; D550-R1049 PolarHBondContact OD2-NH1 2.71Å; D550-R1049 IonicContact OD2-NH2 3.03Å; D550-R1049 PolarHBondContact OD2-NH2 2.89Å; L998-R1049 WeakPolarHBondContact O-CD 3.17Å; L998-R1049 VanDerWaalsContact O-CZ 3.3Å; L998-R1049 PolarHBondContact O-NE 3.48Å; L998-R1049 PolarHBondContact O-NH2 2.92Å; A1001-R1049 HydrophobicContact CB-CB 3.78Å; A1001-R1049 HydrophobicContact CB-CG 4.49Å; D1045-R1049 WeakPolarHBondContact O-CG 3.35Å; D1045-R1049 PolarHBondContact O-N 3.25Å; D1045-R1049 VanDerWaalsContact O-N 3.09Å; L1046-R1049 PolarHBondContact O-N 2.75Å; V1047-R1049 VanDerWaalsContact C-N 3.3Å; V1047-R1049 PolarHBondContact O-N 3.13Å; R1049-L1051 VanDerWaalsContact C-N 3.33Å; R1049-L1051 PolarHBondContact O-N 2.76Å; R1049-S1052 CarbonylContact O-C 3.6Å; R1049-S1052 VanDerWaalsContact O-CA 3.27Å; R1049-S1052 WeakPolarHBondContact O-CA 3.49Å; R1049-S1052 VanDerWaalsContact O-CB 3.22Å; R1049-S1052 WeakPolarHBondContact O-CB 3.38Å; R1049-S1052 PolarHBondContact O-N 2.94Å; R1049-T1053 PolarHBondContact O-N 3.08Å |
| 1050 | L | 81.6 | Confident | 68.5 | Low | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.7 | -35.4 | 176.8 | -65.2 | -176.4 | 0 | 0 | 0 | 112.7 | W975 L1031 I1032 L1046 V1047 S1052 T1053 A1054 | W975-L1050 HydrophobicContact CH2-CD1 4.29Å; W975-L1050 HydrophobicContact CH2-CD2 4.15Å; W975-L1050 HydrophobicContact CZ3-CD2 3.57Å; L1031-L1050 HydrophobicContact CB-CD1 4.03Å; L1031-L1050 HydrophobicContact CD2-CD1 4.03Å; I1032-L1050 HydrophobicContact CD1-CB 4.12Å; I1032-L1050 HydrophobicContact CG1-CB 3.98Å; I1032-L1050 HydrophobicContact CG1-CD1 4.19Å; L1046-L1050 HydrophobicContact CD1-CD1 4.32Å; L1046-L1050 HydrophobicContact CD1-CG 4.22Å; L1046-L1050 HydrophobicContact CG-CD1 4.2Å; L1046-L1050 HydrophobicContact CG-CG 4.47Å; L1046-L1050 WeakPolarHBondContact O-CG 3.43Å; L1046-L1050 PolarHBondContact O-N 3.29Å; V1047-L1050 PolarHBondContact O-N 3.46Å; L1050-S1052 PolarHBondContact O-N 3.2Å; L1050-T1053 PolarHBondContact O-N 2.95Å; L1050-T1053 PolarHBondContact O-OG1 3.02Å; L1050-A1054 WeakPolarHBondContact O-CB 3.15Å; L1050-A1054 PolarHBondContact O-N 3Å |
| 1051 | L | 80.4 | Confident | 69 | Low | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.2 | -24.3 | 168.8 | -65.9 | 171.1 | 0 | 0 | 0 | 111.9 | I1032 V1047 R1049 A1055 I1114 I1125 K1128 L1132 | I1032-L1051 HydrophobicContact CG2-CD2 4.13Å; V1047-L1051 HydrophobicContact CG1-CD1 3.88Å; V1047-L1051 HydrophobicContact CG1-CG 4.22Å; V1047-L1051 WeakPolarHBondContact O-CB 3.13Å; V1047-L1051 VanDerWaalsContact O-CG 3.27Å; V1047-L1051 WeakPolarHBondContact O-CG 3.46Å; V1047-L1051 PolarHBondContact O-N 2.86Å; R1049-L1051 VanDerWaalsContact C-N 3.33Å; R1049-L1051 PolarHBondContact O-N 2.76Å; L1051-A1055 WeakPolarHBondContact O-CB 3.3Å; L1051-A1055 PolarHBondContact O-N 3.27Å; L1051-I1114 HydrophobicContact CD2-CD1 3.54Å; L1051-I1125 HydrophobicContact CD1-CG2 3.9Å; L1051-K1128 HydrophobicContact CB-CB 3.76Å; L1051-K1128 HydrophobicContact CB-CD 4.37Å; L1051-K1128 HydrophobicContact CD1-CB 4.33Å; L1051-L1132 HydrophobicContact CB-CD1 4.23Å; L1051-L1132 HydrophobicContact CD2-CD1 3.7Å |
| 1052 | S | 73.6 | Confident | 69.5 | Low | 12 Ų | 12 | 23 Ų | 23 | 8% | 0.084 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -78.9 | -34.8 | 171.5 | -157.1 | 0 | 0 | 0 | 0 | 113.3 | R1009 A1048 R1049 L1050 A1055 A1056 | R1009-S1052 PolarHBondContact NH2-OG 3.47Å; A1048-S1052 PolarHBondContact O-N 2.86Å; R1049-S1052 CarbonylContact O-C 3.6Å; R1049-S1052 VanDerWaalsContact O-CA 3.27Å; R1049-S1052 WeakPolarHBondContact O-CA 3.49Å; R1049-S1052 VanDerWaalsContact O-CB 3.22Å; R1049-S1052 WeakPolarHBondContact O-CB 3.38Å; R1049-S1052 PolarHBondContact O-N 2.94Å; L1050-S1052 PolarHBondContact O-N 3.2Å; S1052-A1055 PolarHBondContact O-N 3.12Å; S1052-A1056 WeakPolarHBondContact O-CB 3.49Å; S1052-A1056 PolarHBondContact O-N 3.04Å |
| 1053 | T | 73.5 | Confident | 69.7 | Low | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.8 | -44.5 | 170.7 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | L1004 A1005 I1008 R1049 L1050 A1056 G1057 | L1004-T1053 HydrophobicContact CB-CG2 4.29Å; L1004-T1053 HydrophobicContact CD2-CG2 4.26Å; L1004-T1053 HydrophobicContact CG-CG2 4.21Å; A1005-T1053 HydrophobicContact CB-CG2 3.75Å; I1008-T1053 HydrophobicContact CD1-CG2 4.27Å; R1049-T1053 PolarHBondContact O-N 3.08Å; L1050-T1053 PolarHBondContact O-N 2.95Å; L1050-T1053 PolarHBondContact O-OG1 3.02Å; T1053-A1056 PolarHBondContact O-N 2.95Å; T1053-G1057 PolarHBondContact O-N 2.89Å |
| 1054 | A | 76.3 | Confident | 68.7 | Low | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1015 F1028 L1050 A1056 G1057 L1058 L1132 | F1015-A1054 HydrophobicContact CZ-CB 4.44Å; F1028-A1054 HydrophobicContact CE1-CB 4.09Å; F1028-A1054 HydrophobicContact CZ-CB 4Å; L1050-A1054 WeakPolarHBondContact O-CB 3.15Å; L1050-A1054 PolarHBondContact O-N 3Å; A1054-A1056 PolarHBondContact O-N 3.46Å; A1054-G1057 PolarHBondContact O-N 3.37Å; A1054-L1058 VanDerWaalsContact O-CB 3.26Å; A1054-L1058 WeakPolarHBondContact O-CB 3.26Å; A1054-L1058 VanDerWaalsContact O-CG 3.29Å; A1054-L1058 WeakPolarHBondContact O-CG 3.5Å; A1054-L1058 PolarHBondContact O-N 2.88Å; A1054-L1132 HydrophobicContact CB-CD1 4.13Å; A1054-L1132 HydrophobicContact CB-CD2 4.27Å |
| 1055 | A | 71.4 | Confident | 67.3 | Low | 7 Ų | 7 | 30.4 Ų | 30.4 | 6% | 0.058 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1051 S1052 L1059 L1131 L1132 | L1051-A1055 WeakPolarHBondContact O-CB 3.3Å; L1051-A1055 PolarHBondContact O-N 3.27Å; S1052-A1055 PolarHBondContact O-N 3.12Å; A1055-L1059 HydrophobicContact CB-CD1 3.92Å; A1055-L1059 WeakPolarHBondContact O-CB 3.49Å; A1055-L1059 WeakPolarHBondContact O-CD1 3.39Å; A1055-L1059 WeakPolarHBondContact O-CG 3.23Å; A1055-L1059 PolarHBondContact O-N 3.41Å; A1055-L1131 HydrophobicContact CB-CD2 4.11Å; A1055-L1132 HydrophobicContact CB-CD2 4.45Å; A1055-L1132 HydrophobicContact CB-CG 4.5Å |
| 1056 | A | 67.4 | Low | 65.6 | Low | 7 Ų | 7 | 34.6 Ų | 34.6 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -47.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1008 R1009 S1052 T1053 A1054 L1058 I1060 | I1008-A1056 HydrophobicContact CG2-CB 3.93Å; R1009-A1056 HydrophobicContact CG-CB 3.5Å; R1009-A1056 VanDerWaalsContact CG-CB 3.5Å; S1052-A1056 WeakPolarHBondContact O-CB 3.49Å; S1052-A1056 PolarHBondContact O-N 3.04Å; T1053-A1056 PolarHBondContact O-N 2.95Å; A1054-A1056 PolarHBondContact O-N 3.46Å; A1056-L1058 VanDerWaalsContact C-N 3.32Å; A1056-L1058 PolarHBondContact O-N 3.22Å; A1056-I1060 HydrophobicContact CB-CD1 4.29Å; A1056-I1060 WeakPolarHBondContact O-CG1 3.27Å; A1056-I1060 PolarHBondContact O-N 3.5Å |
| 1057 | G | 65.1 | Low | 63.3 | Low | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.2 | -20.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T1053 A1054 P1061 | T1053-G1057 PolarHBondContact O-N 2.89Å; A1054-G1057 PolarHBondContact O-N 3.37Å; G1057-P1061 WeakPolarHBondContact O-CG 3.39Å |
| 1058 | L | 72 | Confident | 60.7 | Low | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -100.3 | -46.7 | 176.7 | -65.5 | 170.6 | 0 | 0 | 0 | 112.5 | F1015 A1054 A1056 L1062 C1101 L1104 L1105 F1110 L1132 | F1015-L1058 HydrophobicContact CD1-CD2 4.38Å; F1015-L1058 HydrophobicContact CD1-CG 4.43Å; F1015-L1058 HydrophobicContact CE1-CD1 4.46Å; F1015-L1058 HydrophobicContact CE1-CD2 3.85Å; F1015-L1058 HydrophobicContact CE1-CG 3.83Å; A1054-L1058 VanDerWaalsContact O-CB 3.26Å; A1054-L1058 WeakPolarHBondContact O-CB 3.26Å; A1054-L1058 VanDerWaalsContact O-CG 3.29Å; A1054-L1058 WeakPolarHBondContact O-CG 3.5Å; A1054-L1058 PolarHBondContact O-N 2.88Å; A1056-L1058 VanDerWaalsContact C-N 3.32Å; A1056-L1058 PolarHBondContact O-N 3.22Å; L1058-L1062 VanDerWaalsContact O-CD1 3.26Å; L1058-L1062 WeakPolarHBondContact O-CD1 3.48Å; L1058-L1062 WeakPolarHBondContact O-CG 3.44Å; L1058-C1101 HydrophobicContact CD2-CB 3.84Å; L1058-L1104 HydrophobicContact CD1-CD2 4.35Å; L1058-L1104 HydrophobicContact CD2-CD2 4.24Å; L1058-L1105 HydrophobicContact CD1-CD2 4.15Å; L1058-L1105 HydrophobicContact CD2-CD1 4.37Å; L1058-L1105 HydrophobicContact CD2-CG 4.24Å; L1058-F1110 HydrophobicContact CD1-CE1 3.92Å; L1058-F1110 HydrophobicContact CD1-CZ 3.82Å; L1058-L1132 HydrophobicContact CD1-CD2 3.94Å |
| 1059 | L | 65.2 | Low | 58.5 | Low | 25 Ų | 25 | 42.3 Ų | 42.3 | 13% | 0.131 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.9 | -43.9 | -172 | -63.6 | 169.5 | 0 | 0 | 0 | 112.6 | A1055 L1062 F1063 L1131 A1135 | A1055-L1059 HydrophobicContact CB-CD1 3.92Å; A1055-L1059 WeakPolarHBondContact O-CB 3.49Å; A1055-L1059 WeakPolarHBondContact O-CD1 3.39Å; A1055-L1059 WeakPolarHBondContact O-CG 3.23Å; A1055-L1059 PolarHBondContact O-N 3.41Å; L1059-L1062 PolarHBondContact O-N 3.04Å; L1059-L1062 VanDerWaalsContact O-N 3.14Å; L1059-F1063 HydrophobicContact CB-CD2 4.26Å; L1059-F1063 HydrophobicContact CD2-CE2 4.19Å; L1059-F1063 WeakPolarHBondContact O-CD2 3.39Å; L1059-F1063 PolarHBondContact O-N 2.91Å; L1059-L1131 HydrophobicContact CD1-CD1 4.48Å; L1059-L1131 HydrophobicContact CD1-CD2 3.69Å; L1059-L1131 HydrophobicContact CD1-CG 3.87Å; L1059-A1135 HydrophobicContact CD2-CB 3.54Å |
| 1060 | I | 62.6 | Low | 56.2 | Low | 53 Ų | 53 | 47.3 Ų | 47.3 | 27% | 0.272 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.5 | -46.5 | -172.7 | -54.1 | 169.4 | 0 | 0 | 0 | 111.2 | R1009 P1012 A1056 L1062 F1063 M1064 | R1009-I1060 HydrophobicContact CB-CD1 4.44Å; R1009-I1060 HydrophobicContact CG-CD1 4.35Å; P1012-I1060 HydrophobicContact CB-CB 4.24Å; P1012-I1060 HydrophobicContact CG-CB 3.71Å; P1012-I1060 HydrophobicContact CG-CD1 4.03Å; P1012-I1060 HydrophobicContact CG-CG1 4.47Å; P1012-I1060 HydrophobicContact CG-CG2 3.65Å; A1056-I1060 HydrophobicContact CB-CD1 4.29Å; A1056-I1060 WeakPolarHBondContact O-CG1 3.27Å; A1056-I1060 PolarHBondContact O-N 3.5Å; I1060-L1062 PolarHBondContact O-N 3.43Å; I1060-F1063 PolarHBondContact O-N 3.3Å; I1060-M1064 HydrophobicContact CG2-CG 4.23Å; I1060-M1064 HydrophobicContact CG2-SD 4.13Å; I1060-M1064 WeakPolarHBondContact O-CG 3.46Å; I1060-M1064 PolarHBondContact O-N 2.88Å; I1060-M1064 VanDerWaalsContact O-N 3.15Å |
| 1061 | P | 56.9 | Low | 53.5 | Low | 24 Ų | 24 | 53.7 Ų | 53.7 | 16% | 0.156 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -25.4 | 173.9 | -24.8 | 35.8 | 0 | 0 | 0 | 114.9 | P1012 G1057 | P1012-P1061 HydrophobicContact CB-CG 3.64Å; G1057-P1061 WeakPolarHBondContact O-CG 3.39Å |
| 1062 | L | 57.8 | Low | 50.9 | Low | 36 Ų | 36 | 57.3 Ų | 57.3 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -81.6 | -44.2 | 178.2 | -69.8 | 171.1 | 0 | 0 | 0 | 111.8 | L1058 L1059 I1060 K1065 L1105 N1139 | L1058-L1062 VanDerWaalsContact O-CD1 3.26Å; L1058-L1062 WeakPolarHBondContact O-CD1 3.48Å; L1058-L1062 WeakPolarHBondContact O-CG 3.44Å; L1059-L1062 PolarHBondContact O-N 3.04Å; L1059-L1062 VanDerWaalsContact O-N 3.14Å; I1060-L1062 PolarHBondContact O-N 3.43Å; L1062-K1065 PolarHBondContact O-N 3.02Å; L1062-L1105 HydrophobicContact CD1-CD1 3.82Å; L1062-N1139 WeakPolarHBondContact CD1-ND2 3.36Å; L1062-N1139 WeakPolarHBondContact CD2-OD1 3.47Å |
| 1063 | F | 53.7 | Low | 48.4 | Very low | 110 Ų | 110 | 66.7 Ų | 66.7 | 48% | 0.482 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -73.5 | -35.8 | -176.7 | -88 | -70.4 | 0 | 0 | 0 | 113.7 | L1059 I1060 K1065 R1066 | L1059-F1063 HydrophobicContact CB-CD2 4.26Å; L1059-F1063 HydrophobicContact CD2-CE2 4.19Å; L1059-F1063 WeakPolarHBondContact O-CD2 3.39Å; L1059-F1063 PolarHBondContact O-N 2.91Å; I1060-F1063 PolarHBondContact O-N 3.3Å; F1063-K1065 PolarHBondContact O-N 2.87Å; F1063-R1066 PolarHBondContact O-N 3.04Å |
| 1064 | M | 43.5 | Very low | 46.3 | Very low | 143 Ų | 143 | 72.9 Ų | 72.9 | 70% | 0.704 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -3.2 | 177.4 | -66.2 | -164.5 | 86.2 | 0 | 0 | 114 | I1060 | I1060-M1064 HydrophobicContact CG2-CG 4.23Å; I1060-M1064 HydrophobicContact CG2-SD 4.13Å; I1060-M1064 WeakPolarHBondContact O-CG 3.46Å; I1060-M1064 PolarHBondContact O-N 2.88Å; I1060-M1064 VanDerWaalsContact O-N 3.15Å |
| 1065 | K | 40.8 | Very low | 43.9 | Very low | 116 Ų | 116 | 82.4 Ų | 82.4 | 50% | 0.504 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -3.2 | 175 | -135.5 | -173.5 | -178.2 | -165 | 0 | 115 | L1062 F1063 | L1062-K1065 PolarHBondContact O-N 3.02Å; F1063-K1065 PolarHBondContact O-N 2.87Å |
| 1066 | R | 33.2 | Very low | 41.5 | Very low | 149 Ų | 149 | 93.6 Ų | 93.6 | 56% | 0.562 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -89.4 | -11.4 | 179.2 | -96 | -172.9 | 175.1 | -173.9 | -0.8 | 114.7 | F1063 D1215 F1243 | F1063-R1066 PolarHBondContact O-N 3.04Å; R1066-D1215 IonicContact CZ-OD2 2.8Å; R1066-D1215 IonicContact NH1-OD2 3.85Å; R1066-D1215 PolarHBondContact NH1-OD2 2.9Å; R1066-D1215 IonicContact NH2-OD2 3.87Å; R1066-D1215 PolarHBondContact NH2-OD2 3.09Å; R1066-F1243 HydrophobicContact CG-CE2 4.17Å; R1066-F1243 HydrophobicContact CG-CZ 3.64Å |
| 1067 | S | 26.4 | Very low | 39.6 | Very low | 67 Ų | 67 | 97.7 Ų | 97.7 | 47% | 0.469 | 50% | 0.498 | S | S | . | . | trans | -100.5 | -12.4 | -169.7 | 57.9 | 0 | 0 | 0 | 0 | 117.3 | V1069 | S1067-V1069 PolarHBondContact O-N 3Š| ||
| 1068 | S | 25.2 | Very low | 37.6 | Very low | 58 Ų | 58 | 106 Ų | 106 | 41% | 0.406 | 54% | 0.536 | S | S | . | . | trans | -80.6 | 71.5 | -167 | 63.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1069 | V | 28.1 | Very low | 35.4 | Very low | 75 Ų | 75 | 112 Ų | 112 | 46% | 0.455 | 58% | 0.579 | S | S | . | * | trans | -125.6 | 113.1 | 179 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | S1067 | S1067-V1069 PolarHBondContact O-N 3Š| ||
| 1070 | T | 26.3 | Very low | 33.6 | Very low | 112 Ų | 112 | 115.4 Ų | 115.4 | 69% | 0.687 | 61% | 0.61 | S | S | * | * | trans | 53.8 | 88.5 | 165.4 | 54.2 | 0 | 0 | 0 | 0 | 119 | S526 | S526-T1070 WeakPolarHBondContact CB-O 3.42Š| ||
| 1071 | L | 23.8 | Very low | 31.8 | Very low | 134 Ų | 134 | 118.3 Ų | 118.3 | 70% | 0.702 | 64% | 0.635 | S | S | * | * | trans | -79.1 | 140.1 | 141.9 | -93.9 | 133.3 | 0 | 0 | 0 | 110.5 | S526 V527 | S526-L1071 WeakPolarHBondContact OG-CA 3.46Å; S526-L1071 WeakPolarHBondContact OG-CD2 3.46Å; S526-L1071 WeakPolarHBondContact OG-CG 2.99Å; V527-L1071 HydrophobicContact CG2-CD2 4.07Å; V527-L1071 HydrophobicContact CG2-CG 4.47Å | ||
| 1072 | P | 26 | Very low | 30.3 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | trans | -76.2 | 148.2 | 178.9 | 31.4 | -34.7 | 0 | 0 | 0 | 112.3 | D525 S526 V1074 | D525-P1072 WeakPolarHBondContact O-CD 3.25Å; S526-P1072 WeakPolarHBondContact OG-CD 3.41Å; P1072-V1074 PolarHBondContact O-N 3.02Å; P1072-V1074 VanDerWaalsContact O-N 3.11Å | ||
| 1073 | K | 22.1 | Very low | 28.8 | Very low | 209 Ų | 209 | 128.8 Ų | 128.8 | 91% | 0.909 | 69% | 0.689 | S | S | * | * | trans | -80.3 | 88.9 | -177.7 | -66.2 | 174.2 | -178.2 | 169.5 | 0 | 112.2 | ||||
| 1074 | V | 28.4 | Very low | 27.4 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 144.6 | 163.5 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | P1072 | P1072-V1074 PolarHBondContact O-N 3.02Å; P1072-V1074 VanDerWaalsContact O-N 3.11Å |
| 1075 | K | 26.4 | Very low | 26.6 | Very low | 200 Ų | 200 | 128.6 Ų | 128.6 | 87% | 0.87 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 160.8 | -167.5 | -67.4 | 174.1 | -178.7 | 170.2 | 0 | 113.3 | ||
| 1076 | R | 21.5 | Very low | 25.7 | Very low | 242 Ų | 242 | 134.8 Ų | 134.8 | 91% | 0.913 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 133 | 174.4 | -68.9 | 170.7 | 166.8 | 163.2 | -6.9 | 113.8 | ||
| 1077 | A | 26.1 | Very low | 25.4 | Very low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -155.6 | 123 | 133.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1078 | Q | 24.3 | Very low | 25.3 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | 75.7 | 134.1 | 50.7 | -72.9 | -163.3 | -37.8 | 0 | 0 | 115.2 | |||||
| 1079 | S | 24.9 | Very low | 25.4 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | trans | 69.4 | 143.3 | -172.2 | 78.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 1080 | A | 27.5 | Very low | 25.2 | Very low | 95 Ų | 95 | 143 Ų | 143 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | cis | -138 | 165.3 | -1.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1081 | S | 24.8 | Very low | 25.2 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -36.3 | 160.4 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1082 | S | 26.6 | Very low | 25.4 | Very low | 92 Ų | 92 | 144 Ų | 144 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | cis | -161.6 | 156.4 | 33.1 | 80.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1083 | K | 25.5 | Very low | 25.3 | Very low | 189 Ų | 189 | 144.1 Ų | 144.1 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | 41 | 118.8 | 145.4 | -60.4 | 167.9 | -175.8 | 176.5 | 0 | 117.3 | ||||
| 1084 | L | 24.4 | Very low | 25.8 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | -152.4 | -178.2 | 54.5 | -145.5 | 67.2 | 0 | 0 | 0 | 114.1 | |||||
| 1085 | S | 26.1 | Very low | 26 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | trans | -44.3 | 141.4 | 176.1 | 46.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1086 | R | 22.3 | Very low | 26.6 | Very low | 246 Ų | 246 | 128.4 Ų | 128.4 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | cis | 76.9 | 73.8 | 17.6 | -148.2 | -170.7 | -154.9 | -170.7 | 8.5 | 116.7 | ||||
| 1087 | T | 26.8 | Very low | 28.1 | Very low | 132 Ų | 132 | 118 Ų | 118 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -143.7 | 145.9 | 161.8 | 42.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1088 | S | 24.3 | Very low | 29.4 | Very low | 114 Ų | 114 | 115.9 Ų | 115.9 | 80% | 0.797 | 73% | 0.725 | S | S | * | * | trans | 13.2 | 127.5 | 165.5 | -145.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1089 | V | 26.9 | Very low | 31 | Very low | 128 Ų | 128 | 110 Ų | 110 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | cis | -137.2 | 136.6 | 47.1 | 178.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 1090 | N | 24.6 | Very low | 32.8 | Very low | 147 Ų | 147 | 104.8 Ų | 104.8 | 79% | 0.786 | 67% | 0.671 | S | S | * | * | trans | -117.3 | 165.4 | 157.5 | -89.1 | -34.6 | 0 | 0 | 0 | 108.7 | ||||
| 1091 | N | 25.1 | Very low | 34.6 | Very low | 164 Ų | 164 | 100.3 Ų | 100.3 | 88% | 0.877 | 63% | 0.634 | S | S | * | * | trans | 80.4 | 64.1 | 168.8 | -56 | -13.7 | 0 | 0 | 0 | 118.6 | ||||
| 1092 | A | 28.1 | Very low | 36.5 | Very low | 104 Ų | 104 | 100.5 Ų | 100.5 | 86% | 0.86 | 62% | 0.621 | S | S | * | * | -145.2 | 134.3 | 128.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 1093 | G | 25.5 | Very low | 38.7 | Very low | 77 Ų | 77 | 105.1 Ų | 105.1 | 79% | 0.794 | 62% | 0.624 | S | S | * | * | cis | 112.5 | 88.2 | 18 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1094 | G | 30.8 | Very low | 41 | Very low | 62 Ų | 62 | 96.5 Ų | 96.5 | 64% | 0.639 | 59% | 0.587 | S | S | * | * | cis | -165.6 | -151 | 1.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G1096 | G1094-G1096 PolarHBondContact O-N 2.96Š| ||
| 1095 | A | 34.2 | Very low | 43.2 | Very low | 112 Ų | 112 | 89 Ų | 89 | 93% | 0.926 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 34.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1096 | G | 37.6 | Very low | 45.3 | Very low | 36 Ų | 36 | 88.7 Ų | 88.7 | 37% | 0.371 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -25.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G1094 A1099 A1100 | G1094-G1096 PolarHBondContact O-N 2.96Å; G1096-A1099 CarbonylContact O-C 3.48Å; G1096-A1099 WeakPolarHBondContact O-CA 3.41Å; G1096-A1099 WeakPolarHBondContact O-CB 3.25Å; G1096-A1099 PolarHBondContact O-N 2.83Å; G1096-A1100 PolarHBondContact O-N 2.79Å |
| 1097 | T | 54.3 | Low | 47.9 | Very low | 22 Ų | 22 | 79.7 Ų | 79.7 | 14% | 0.135 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | -165.8 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | N1013 T1016 T1017 A1099 A1100 C1101 | N1013-T1097 HydrophobicContact CB-CG2 3.94Å; N1013-T1097 WeakPolarHBondContact OD1-CB 3.25Å; N1013-T1097 VanDerWaalsContact OD1-CG2 3.31Å; N1013-T1097 WeakPolarHBondContact OD1-CG2 3.23Å; N1013-T1097 PolarHBondContact OD1-OG1 3.26Å; T1016-T1097 VanDerWaalsContact OG1-CG2 3.26Å; T1016-T1097 WeakPolarHBondContact OG1-CG2 3.4Å; T1017-T1097 HydrophobicContact CG2-CG2 4.21Å; T1097-A1099 PolarHBondContact O-N 2.9Å; T1097-A1100 PolarHBondContact O-N 3.48Å; T1097-C1101 PolarHBondContact O-N 2.84Å; T1097-C1101 PolarHBondContact O-SG 3.27Å |
| 1098 | P | 53 | Low | 50.4 | Low | 49 Ų | 49 | 78 Ų | 78 | 32% | 0.318 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65 | -27.8 | 171.2 | -20.4 | 34.1 | 0 | 0 | 0 | 113.3 | K1102 | P1098-K1102 WeakPolarHBondContact O-CB 3.25Å; P1098-K1102 VanDerWaalsContact O-CG 3.29Å; P1098-K1102 WeakPolarHBondContact O-CG 3.38Å; P1098-K1102 PolarHBondContact O-N 2.85Å |
| 1099 | A | 58.7 | Low | 53.2 | Low | 49 Ų | 49 | 79.6 Ų | 79.6 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -77.5 | -35.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | G1096 T1097 K1102 R1103 | G1096-A1099 CarbonylContact O-C 3.48Å; G1096-A1099 WeakPolarHBondContact O-CA 3.41Å; G1096-A1099 WeakPolarHBondContact O-CB 3.25Å; G1096-A1099 PolarHBondContact O-N 2.83Å; T1097-A1099 PolarHBondContact O-N 2.9Å; A1099-K1102 PolarHBondContact O-N 3.49Å; A1099-R1103 VanDerWaalsContact O-CG 3.3Å; A1099-R1103 WeakPolarHBondContact O-CG 3.41Å; A1099-R1103 PolarHBondContact O-N 3.42Å |
| 1100 | A | 61.9 | Low | 55.8 | Low | 20 Ų | 20 | 73.6 Ų | 73.6 | 17% | 0.165 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -70 | -43.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | T1016 G1096 T1097 K1102 R1103 L1104 | T1016-A1100 HydrophobicContact CG2-CB 3.5Å; G1096-A1100 PolarHBondContact O-N 2.79Å; T1097-A1100 PolarHBondContact O-N 3.48Å; A1100-K1102 VanDerWaalsContact C-N 3.34Å; A1100-K1102 PolarHBondContact O-N 3.22Å; A1100-R1103 WeakPolarHBondContact O-CB 3.39Å; A1100-R1103 PolarHBondContact O-N 3.32Å; A1100-L1104 PolarHBondContact O-N 3.01Å |
| 1101 | C | 64.7 | Low | 58.5 | Low | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.7 | -45.3 | 169.6 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | L1058 T1097 R1103 L1104 L1105 | L1058-C1101 HydrophobicContact CD2-CB 3.84Å; T1097-C1101 PolarHBondContact O-N 2.84Å; T1097-C1101 PolarHBondContact O-SG 3.27Å; C1101-R1103 PolarHBondContact O-N 3.16Å; C1101-L1104 PolarHBondContact O-N 3.27Å; C1101-L1105 WeakPolarHBondContact O-CB 3.18Å; C1101-L1105 WeakPolarHBondContact O-CD1 3.36Å; C1101-L1105 VanDerWaalsContact O-CG 3.27Å; C1101-L1105 WeakPolarHBondContact O-CG 3.46Å; C1101-L1105 PolarHBondContact O-N 2.68Å |
| 1102 | K | 66.2 | Low | 61.3 | Low | 118 Ų | 118 | 60.8 Ų | 60.8 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.2 | -36.4 | 175.2 | -79.6 | -171.5 | 175.1 | -152.5 | 0 | 113.7 | P1098 A1099 A1100 L1105 S1106 | P1098-K1102 WeakPolarHBondContact O-CB 3.25Å; P1098-K1102 VanDerWaalsContact O-CG 3.29Å; P1098-K1102 WeakPolarHBondContact O-CG 3.38Å; P1098-K1102 PolarHBondContact O-N 2.85Å; A1099-K1102 PolarHBondContact O-N 3.49Å; A1100-K1102 VanDerWaalsContact C-N 3.34Å; A1100-K1102 PolarHBondContact O-N 3.22Å; K1102-L1105 PolarHBondContact O-N 2.95Å; K1102-S1106 WeakPolarHBondContact O-CB 3.4Å; K1102-S1106 PolarHBondContact O-N 2.99Å; K1102-S1106 PolarHBondContact O-OG 3.49Å |
| 1103 | R | 70.8 | Confident | 63.9 | Low | 188 Ų | 188 | 56 Ų | 56 | 71% | 0.709 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.4 | -49.2 | 173.4 | -79.1 | 170.3 | 179.5 | 175.4 | -0.9 | 111.3 | A1099 A1100 C1101 L1105 S1106 E1107 | A1099-R1103 VanDerWaalsContact O-CG 3.3Å; A1099-R1103 WeakPolarHBondContact O-CG 3.41Å; A1099-R1103 PolarHBondContact O-N 3.42Å; A1100-R1103 WeakPolarHBondContact O-CB 3.39Å; A1100-R1103 PolarHBondContact O-N 3.32Å; C1101-R1103 PolarHBondContact O-N 3.16Å; R1103-L1105 PolarHBondContact O-N 2.98Å; R1103-S1106 WeakPolarHBondContact CA-OG 3.5Å; R1103-S1106 CarbonylContact O-C 3.32Å; R1103-S1106 PolarHBondContact O-N 3.38Å; R1103-S1106 VanDerWaalsContact O-N 3.09Å; R1103-S1106 PolarHBondContact O-OG 3.39Å; R1103-E1107 PolarHBondContact O-N 3.16Å; R1103-E1107 VanDerWaalsContact O-N 3.09Å |
| 1104 | L | 74.2 | Confident | 66.6 | Low | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 177.8 | -161.9 | 78.3 | 0 | 0 | 0 | 111.8 | F1015 I1020 L1058 A1100 C1101 S1106 E1107 F1110 | F1015-L1104 HydrophobicContact CE1-CD2 3.74Å; F1015-L1104 HydrophobicContact CZ-CD2 3.85Å; I1020-L1104 HydrophobicContact CD1-CD1 4.35Å; I1020-L1104 HydrophobicContact CD1-CD2 4.34Å; L1058-L1104 HydrophobicContact CD1-CD2 4.35Å; L1058-L1104 HydrophobicContact CD2-CD2 4.24Å; A1100-L1104 PolarHBondContact O-N 3.01Å; C1101-L1104 PolarHBondContact O-N 3.27Å; L1104-S1106 PolarHBondContact O-N 3.36Å; L1104-E1107 WeakPolarHBondContact O-CB 3.42Å; L1104-E1107 PolarHBondContact O-N 3.38Å; L1104-E1107 VanDerWaalsContact O-N 3.08Å; L1104-F1110 HydrophobicContact CD2-CE2 4.48Å; L1104-F1110 HydrophobicContact CD2-CZ 4.42Å; L1104-F1110 HydrophobicContact CG-CD1 4.3Å; L1104-F1110 HydrophobicContact CG-CG 4.31Å; L1104-F1110 WeakPolarHBondContact O-CD1 3.47Å |
| 1105 | L | 70.2 | Confident | 69.1 | Low | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.6 | -15.3 | 174.7 | -70.6 | 165.5 | 0 | 0 | 0 | 113.8 | L1058 L1062 C1101 K1102 R1103 F1110 I1111 I1136 | L1058-L1105 HydrophobicContact CD1-CD2 4.15Å; L1058-L1105 HydrophobicContact CD2-CD1 4.37Å; L1058-L1105 HydrophobicContact CD2-CG 4.24Å; L1062-L1105 HydrophobicContact CD1-CD1 3.82Å; C1101-L1105 WeakPolarHBondContact O-CB 3.18Å; C1101-L1105 WeakPolarHBondContact O-CD1 3.36Å; C1101-L1105 VanDerWaalsContact O-CG 3.27Å; C1101-L1105 WeakPolarHBondContact O-CG 3.46Å; C1101-L1105 PolarHBondContact O-N 2.68Å; K1102-L1105 PolarHBondContact O-N 2.95Å; R1103-L1105 PolarHBondContact O-N 2.98Å; L1105-F1110 HydrophobicContact CD2-CE1 4.32Å; L1105-I1111 WeakPolarHBondContact O-CD1 3.13Å; L1105-I1136 HydrophobicContact CD2-CG1 3.53Å |
| 1106 | S | 71.4 | Confident | 71.5 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 58% | 0.58 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -4.2 | 170.2 | 68.4 | 0 | 0 | 0 | 0 | 113.8 | K1102 R1103 L1104 Q1108 | K1102-S1106 WeakPolarHBondContact O-CB 3.4Å; K1102-S1106 PolarHBondContact O-N 2.99Å; K1102-S1106 PolarHBondContact O-OG 3.49Å; R1103-S1106 WeakPolarHBondContact CA-OG 3.5Å; R1103-S1106 CarbonylContact O-C 3.32Å; R1103-S1106 PolarHBondContact O-N 3.38Å; R1103-S1106 VanDerWaalsContact O-N 3.09Å; R1103-S1106 PolarHBondContact O-OG 3.39Å; L1104-S1106 PolarHBondContact O-N 3.36Å; S1106-Q1108 PolarHBondContact O-N 2.93Å |
| 1107 | E | 77.7 | Confident | 73.7 | Confident | 56 Ų | 56 | 47.9 Ų | 47.9 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | trans | -78.1 | 104.4 | -178.7 | -170 | 173.9 | 179.8 | 0 | 0 | 109.7 | S1025 R1103 L1104 K1109 F1110 I1111 | S1025-E1107 WeakPolarHBondContact CB-OE2 3.41Å; S1025-E1107 PolarHBondContact OG-OE1 3.15Å; S1025-E1107 PolarHBondContact OG-OE2 3.32Å; R1103-E1107 PolarHBondContact O-N 3.16Å; R1103-E1107 VanDerWaalsContact O-N 3.09Å; L1104-E1107 WeakPolarHBondContact O-CB 3.42Å; L1104-E1107 PolarHBondContact O-N 3.38Å; L1104-E1107 VanDerWaalsContact O-N 3.08Å; E1107-K1109 HydrophobicContact CG-CB 4.45Å; E1107-K1109 PolarHBondContact O-N 2.92Å; E1107-F1110 HydrophobicContact CB-CB 4.32Å; E1107-F1110 WeakPolarHBondContact O-CA 3.49Å; E1107-F1110 WeakPolarHBondContact O-CB 3.31Å; E1107-F1110 PolarHBondContact O-N 3.28Å; E1107-I1111 PolarHBondContact O-N 2.86Å; E1107-I1111 VanDerWaalsContact O-N 3.11Å | ||
| 1108 | Q | 79.2 | Confident | 75 | Confident | 96 Ų | 96 | 46.9 Ų | 46.9 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -50.6 | -32.7 | -175 | -164.5 | 70.7 | 30.5 | 0 | 0 | 113.8 | S1106 N1112 | S1106-Q1108 PolarHBondContact O-N 2.93Å; Q1108-N1112 PolarHBondContact NE2-OD1 3.39Å; Q1108-N1112 VanDerWaalsContact NE2-OD1 3.13Å; Q1108-N1112 VanDerWaalsContact O-CB 3.29Å; Q1108-N1112 WeakPolarHBondContact O-CB 3.36Å; Q1108-N1112 PolarHBondContact O-N 2.96Å; Q1108-N1112 PolarHBondContact O-OD1 3.13Å |
| 1109 | K | 81.9 | Confident | 76.3 | Confident | 148 Ų | 148 | 49.1 Ų | 49.1 | 64% | 0.643 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.5 | -44.3 | 174.4 | -69.4 | -174.7 | 177.2 | -177.8 | 0 | 112.7 | E1107 T1113 | E1107-K1109 HydrophobicContact CG-CB 4.45Å; E1107-K1109 PolarHBondContact O-N 2.92Å; K1109-T1113 WeakPolarHBondContact O-CB 3.4Å; K1109-T1113 PolarHBondContact O-N 3.41Å; K1109-T1113 PolarHBondContact O-OG1 3.3Å |
| 1110 | F | 82.7 | Confident | 77.1 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -48.8 | 176.6 | -179.5 | -110.8 | 0 | 0 | 0 | 110.3 | I1029 L1058 L1104 L1105 E1107 N1112 T1113 I1114 | I1029-F1110 HydrophobicContact CD1-CB 4.02Å; I1029-F1110 HydrophobicContact CG1-CB 4.38Å; I1029-F1110 HydrophobicContact CG1-CD2 4.17Å; L1058-F1110 HydrophobicContact CD1-CE1 3.92Å; L1058-F1110 HydrophobicContact CD1-CZ 3.82Å; L1104-F1110 HydrophobicContact CD2-CE2 4.48Å; L1104-F1110 HydrophobicContact CD2-CZ 4.42Å; L1104-F1110 HydrophobicContact CG-CD1 4.3Å; L1104-F1110 HydrophobicContact CG-CG 4.31Å; L1104-F1110 WeakPolarHBondContact O-CD1 3.47Å; L1105-F1110 HydrophobicContact CD2-CE1 4.32Å; E1107-F1110 HydrophobicContact CB-CB 4.32Å; E1107-F1110 WeakPolarHBondContact O-CA 3.49Å; E1107-F1110 WeakPolarHBondContact O-CB 3.31Å; E1107-F1110 PolarHBondContact O-N 3.28Å; F1110-N1112 PolarHBondContact O-N 2.87Å; F1110-T1113 PolarHBondContact O-N 2.66Å; F1110-T1113 VanDerWaalsContact O-N 3.15Å; F1110-I1114 HydrophobicContact CD1-CG1 4.43Å; F1110-I1114 HydrophobicContact CD2-CG1 4.33Å; F1110-I1114 HydrophobicContact CE1-CG1 4.09Å; F1110-I1114 HydrophobicContact CE2-CD1 3.98Å; F1110-I1114 HydrophobicContact CE2-CG1 3.99Å; F1110-I1114 HydrophobicContact CZ-CD1 4.04Å; F1110-I1114 HydrophobicContact CZ-CG1 3.86Å; F1110-I1114 WeakPolarHBondContact O-CG1 3.45Å; F1110-I1114 PolarHBondContact O-N 2.9Å |
| 1111 | I | 81.5 | Confident | 77.7 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.1 | -53.7 | 177.3 | -61 | 170 | 0 | 0 | 0 | 111 | L1105 E1107 T1113 I1114 F1115 I1136 T1144 V1147 | L1105-I1111 WeakPolarHBondContact O-CD1 3.13Å; E1107-I1111 PolarHBondContact O-N 2.86Å; E1107-I1111 VanDerWaalsContact O-N 3.11Å; I1111-T1113 VanDerWaalsContact C-N 3.29Å; I1111-T1113 PolarHBondContact O-N 3Å; I1111-I1114 PolarHBondContact O-N 3.03Å; I1111-F1115 HydrophobicContact CG2-CD2 3.69Å; I1111-F1115 HydrophobicContact CG2-CE2 3.33Å; I1111-F1115 HydrophobicContact CG2-CZ 4.21Å; I1111-F1115 WeakPolarHBondContact O-CD2 3.3Å; I1111-F1115 PolarHBondContact O-N 2.95Å; I1111-I1136 HydrophobicContact CG1-CG2 4.35Å; I1111-I1136 HydrophobicContact CG2-CG2 4.46Å; I1111-T1144 HydrophobicContact CD1-CG2 4.44Å; I1111-V1147 HydrophobicContact CG2-CG1 4.35Å |
| 1112 | N | 82.9 | Confident | 78.2 | Confident | 39 Ų | 39 | 54.8 Ų | 54.8 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -35.2 | -179.9 | -69.7 | 1.8 | 0 | 0 | 0 | 112.3 | Q1108 F1110 R1116 Y1151 | Q1108-N1112 PolarHBondContact NE2-OD1 3.39Å; Q1108-N1112 VanDerWaalsContact NE2-OD1 3.13Å; Q1108-N1112 VanDerWaalsContact O-CB 3.29Å; Q1108-N1112 WeakPolarHBondContact O-CB 3.36Å; Q1108-N1112 PolarHBondContact O-N 2.96Å; Q1108-N1112 PolarHBondContact O-OD1 3.13Å; F1110-N1112 PolarHBondContact O-N 2.87Å; N1112-R1116 WeakPolarHBondContact O-CG 3.43Å; N1112-R1116 PolarHBondContact O-N 2.82Å; N1112-Y1151 HydrophobicContact CB-CE2 4.26Å; N1112-Y1151 WeakPolarHBondContact CB-OH 3.13Å |
| 1113 | T | 82.6 | Confident | 78.7 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.7 | -40.3 | 177.4 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | I1032 E1033 K1109 F1110 I1111 R1116 H1117 | I1032-T1113 HydrophobicContact CG2-CG2 3.96Å; E1033-T1113 HydrophobicContact CB-CG2 4.31Å; K1109-T1113 WeakPolarHBondContact O-CB 3.4Å; K1109-T1113 PolarHBondContact O-N 3.41Å; K1109-T1113 PolarHBondContact O-OG1 3.3Å; F1110-T1113 PolarHBondContact O-N 2.66Å; F1110-T1113 VanDerWaalsContact O-N 3.15Å; I1111-T1113 VanDerWaalsContact C-N 3.29Å; I1111-T1113 PolarHBondContact O-N 3Å; T1113-R1116 PolarHBondContact O-N 3.27Å; T1113-H1117 PolarHBondContact O-CD2 2.94Å; T1113-H1117 PolarHBondContact O-N 2.81Å |
| 1114 | I | 82.9 | Confident | 78.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.4 | -42.6 | 174.1 | -64.8 | -56.2 | 0 | 0 | 0 | 111.3 | L1051 F1110 I1111 H1117 L1132 I1136 | L1051-I1114 HydrophobicContact CD2-CD1 3.54Å; F1110-I1114 HydrophobicContact CD1-CG1 4.43Å; F1110-I1114 HydrophobicContact CD2-CG1 4.33Å; F1110-I1114 HydrophobicContact CE1-CG1 4.09Å; F1110-I1114 HydrophobicContact CE2-CD1 3.98Å; F1110-I1114 HydrophobicContact CE2-CG1 3.99Å; F1110-I1114 HydrophobicContact CZ-CD1 4.04Å; F1110-I1114 HydrophobicContact CZ-CG1 3.86Å; F1110-I1114 WeakPolarHBondContact O-CG1 3.45Å; F1110-I1114 PolarHBondContact O-N 2.9Å; I1111-I1114 PolarHBondContact O-N 3.03Å; I1114-H1117 WeakPolarHBondContact O-CB 3.25Å; I1114-H1117 PolarHBondContact O-N 3.46Å; I1114-L1132 HydrophobicContact CD1-CB 4.45Å; I1114-L1132 HydrophobicContact CD1-CD1 3.82Å; I1114-L1132 HydrophobicContact CG2-CB 3.94Å; I1114-I1136 HydrophobicContact CB-CD1 4.19Å; I1114-I1136 HydrophobicContact CG1-CD1 4.37Å; I1114-I1136 HydrophobicContact CG2-CD1 4.06Å |
| 1115 | F | 83.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -38.8 | 177.3 | -69.4 | -40.3 | 0 | 0 | 0 | 113.1 | I1111 H1117 L1118 V1147 A1148 Y1151 | I1111-F1115 HydrophobicContact CG2-CD2 3.69Å; I1111-F1115 HydrophobicContact CG2-CE2 3.33Å; I1111-F1115 HydrophobicContact CG2-CZ 4.21Å; I1111-F1115 WeakPolarHBondContact O-CD2 3.3Å; I1111-F1115 PolarHBondContact O-N 2.95Å; F1115-H1117 PolarHBondContact O-N 3.48Å; F1115-L1118 HydrophobicContact CD1-CD1 3.9Å; F1115-L1118 VanDerWaalsContact O-CB 3.3Å; F1115-L1118 WeakPolarHBondContact O-CB 3.38Å; F1115-L1118 PolarHBondContact O-N 2.88Å; F1115-V1147 HydrophobicContact CD2-CG1 4.08Å; F1115-V1147 HydrophobicContact CE2-CB 4.38Å; F1115-V1147 HydrophobicContact CE2-CG1 3.93Å; F1115-A1148 HydrophobicContact CE1-CB 3.83Å; F1115-A1148 HydrophobicContact CE2-CB 4Å; F1115-A1148 HydrophobicContact CZ-CB 3.51Å; F1115-Y1151 HydrophobicContact CB-CD1 4.32Å; F1115-Y1151 HydrophobicContact CB-CD2 3.78Å; F1115-Y1151 HydrophobicContact CB-CE2 4.42Å; F1115-Y1151 HydrophobicContact CB-CG 3.73Å; F1115-Y1151 AromaticContact CD2-CD2 3.77Å; F1115-Y1151 HydrophobicContact CD2-CD2 3.77Å; F1115-Y1151 HydrophobicContact CD2-CE2 4.37Å; F1115-Y1151 HydrophobicContact CD2-CG 4.47Å; F1115-Y1151 HydrophobicContact CG-CD2 4.16Å; F1115-Y1151 HydrophobicContact CG-CG 4.43Å |
| 1116 | R | 82.8 | Confident | 79.8 | Confident | 107 Ų | 107 | 44.1 Ų | 44.1 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55.8 | -35.4 | 171.1 | -78.3 | 170.3 | 171.6 | 174.6 | -4.3 | 112.8 | E1033 N1112 T1113 L1118 E1119 Y1151 | E1033-R1116 IonicContact OE1-CZ 2.59Å; E1033-R1116 IonicContact OE1-NH1 3.85Å; E1033-R1116 PolarHBondContact OE1-NH1 3.43Å; N1112-R1116 WeakPolarHBondContact O-CG 3.43Å; N1112-R1116 PolarHBondContact O-N 2.82Å; T1113-R1116 PolarHBondContact O-N 3.27Å; R1116-L1118 PolarHBondContact O-N 3.16Å; R1116-E1119 PolarHBondContact O-N 3.47Å; R1116-Y1151 HydrophobicContact CG-CE1 4.29Å |
| 1117 | H | 83.8 | Confident | 80.1 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -15.4 | 178.3 | -81.6 | -56.2 | 0 | 0 | 0 | 114.6 | I1032 T1113 I1114 F1115 E1119 S1120 I1125 A1129 | I1032-H1117 PolarHBondContact O-CE1 3.33Å; I1032-H1117 VanDerWaalsContact O-CE1 3.31Å; I1032-H1117 PolarHBondContact O-NE2 3.05Å; T1113-H1117 PolarHBondContact O-CD2 2.94Å; T1113-H1117 PolarHBondContact O-N 2.81Å; I1114-H1117 WeakPolarHBondContact O-CB 3.25Å; I1114-H1117 PolarHBondContact O-N 3.46Å; F1115-H1117 PolarHBondContact O-N 3.48Å; H1117-E1119 VanDerWaalsContact C-N 3.28Å; H1117-E1119 PolarHBondContact O-N 3.15Å; H1117-S1120 VanDerWaalsContact O-CB 3.31Å; H1117-S1120 WeakPolarHBondContact O-CB 3.49Å; H1117-S1120 PolarHBondContact O-N 3.01Å; H1117-S1120 PolarHBondContact O-OG 3.37Å; H1117-I1125 HydrophobicContact CB-CG2 3.88Å; H1117-I1125 WeakPolarHBondContact ND1-CG2 3.37Å; H1117-A1129 HydrophobicContact CB-CB 3.77Å |
| 1118 | L | 81.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.3 | 173 | -58.9 | 178.3 | 0 | 0 | 0 | 113.1 | F1115 R1116 A1129 F1130 L1153 L1156 R1159 | F1115-L1118 HydrophobicContact CD1-CD1 3.9Å; F1115-L1118 VanDerWaalsContact O-CB 3.3Å; F1115-L1118 WeakPolarHBondContact O-CB 3.38Å; F1115-L1118 PolarHBondContact O-N 2.88Å; R1116-L1118 PolarHBondContact O-N 3.16Å; L1118-A1129 HydrophobicContact CD2-CB 3.75Å; L1118-A1129 HydrophobicContact CG-CB 4.46Å; L1118-F1130 HydrophobicContact CD1-CE1 4.4Å; L1118-F1130 HydrophobicContact CD2-CB 4.38Å; L1118-F1130 HydrophobicContact CD2-CD1 3.75Å; L1118-F1130 HydrophobicContact CD2-CD2 3.81Å; L1118-F1130 HydrophobicContact CD2-CE1 3.9Å; L1118-F1130 HydrophobicContact CD2-CE2 3.94Å; L1118-F1130 HydrophobicContact CD2-CG 3.7Å; L1118-F1130 HydrophobicContact CD2-CZ 3.99Å; L1118-L1153 HydrophobicContact CD1-CD1 3.74Å; L1118-L1156 HydrophobicContact CB-CD1 3.85Å; L1118-R1159 PolarHBondContact O-NH2 3.35Å |
| 1119 | E | 81.2 | Confident | 80.3 | Confident | 95 Ų | 95 | 33.3 Ų | 33.3 | 44% | 0.444 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -26.4 | 175.2 | -61.6 | -162.6 | 128.8 | 0 | 0 | 112.1 | R1116 H1117 L1156 R1159 | R1116-E1119 PolarHBondContact O-N 3.47Å; H1117-E1119 VanDerWaalsContact C-N 3.28Å; H1117-E1119 PolarHBondContact O-N 3.15Å; E1119-L1156 HydrophobicContact CG-CD1 3.88Å; E1119-L1156 HydrophobicContact CG-CD2 4.19Å; E1119-R1159 PolarHBondContact O-NH2 3.05Å |
| 1120 | S | 74.5 | Confident | 80.4 | Confident | 18 Ų | 18 | 26.3 Ų | 26.3 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | trans | -50.6 | 145.9 | -170.6 | 71.8 | 0 | 0 | 0 | 0 | 114.7 | H1117 H1122 I1125 R1126 | H1117-S1120 VanDerWaalsContact O-CB 3.31Å; H1117-S1120 WeakPolarHBondContact O-CB 3.49Å; H1117-S1120 PolarHBondContact O-N 3.01Å; H1117-S1120 PolarHBondContact O-OG 3.37Å; S1120-H1122 VanDerWaalsContact C-N 3.3Å; S1120-H1122 PolarHBondContact O-N 2.88Å; S1120-I1125 WeakPolarHBondContact OG-CG2 3.49Å; S1120-R1126 WeakPolarHBondContact O-CD 3.14Å; S1120-R1126 WeakPolarHBondContact O-CG 3.42Å; S1120-R1126 PolarHBondContact O-NE 3.23Å | ||
| 1121 | P | 74.6 | Confident | 80.3 | Confident | 112 Ų | 112 | 27.6 Ų | 27.6 | 73% | 0.727 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -68.6 | -29 | -179.1 | 26.9 | -34.3 | 0 | 0 | 0 | 112.6 | A1123 R1126 | P1121-A1123 PolarHBondContact O-N 2.86Å; P1121-R1126 PolarHBondContact O-NH2 3.49Å |
| 1122 | H | 75.1 | Confident | 80.3 | Confident | 59 Ų | 59 | 27.4 Ų | 27.4 | 27% | 0.273 | 14% | 0.139 | S | C | . | . | trans | -79.5 | 120.6 | -171.9 | -157 | -129.1 | 0 | 0 | 0 | 112.5 | T1044 D1045 S1120 M1124 I1125 R1126 | T1044-H1122 HydrophobicContact CG2-CB 3.93Å; D1045-H1122 IonicContact OD1-CE1 2.99Å; S1120-H1122 VanDerWaalsContact C-N 3.3Å; S1120-H1122 PolarHBondContact O-N 2.88Å; H1122-M1124 VanDerWaalsContact C-N 3.32Å; H1122-M1124 PolarHBondContact O-N 3.19Å; H1122-I1125 HydrophobicContact CB-CB 4.34Å; H1122-I1125 HydrophobicContact CB-CD1 3.98Å; H1122-I1125 HydrophobicContact CB-CG1 4.11Å; H1122-I1125 PolarHBondContact O-N 3.43Å; H1122-I1125 VanDerWaalsContact O-N 3.16Å; H1122-R1126 PolarHBondContact O-N 2.95Å; H1122-R1126 VanDerWaalsContact O-N 3.13Å | ||
| 1123 | A | 76.9 | Confident | 80.2 | Confident | 13 Ų | 13 | 25.6 Ų | 25.6 | 11% | 0.107 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.5 | -36.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1121 R1126 A1127 C1197 T1198 L1201 | P1121-A1123 PolarHBondContact O-N 2.86Å; A1123-R1126 PolarHBondContact O-N 3.21Å; A1123-A1127 WeakPolarHBondContact O-CB 3.21Å; A1123-A1127 PolarHBondContact O-N 3.32Å; A1123-C1197 HydrophobicContact CB-CB 3.95Å; A1123-T1198 HydrophobicContact CB-CG2 4.14Å; A1123-L1201 HydrophobicContact CB-CD2 4Å |
| 1124 | M | 74.8 | Confident | 79.8 | Confident | 35 Ų | 35 | 25.6 Ų | 25.6 | 17% | 0.172 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.8 | -34.7 | 178.1 | -178.5 | 58 | 71.2 | 0 | 0 | 112.9 | A1048 H1122 A1127 K1128 C1197 Y1200 | A1048-M1124 HydrophobicContact CB-CG 3.84Å; H1122-M1124 VanDerWaalsContact C-N 3.32Å; H1122-M1124 PolarHBondContact O-N 3.19Å; M1124-A1127 PolarHBondContact O-N 3Å; M1124-K1128 HydrophobicContact CG-CD 4.29Å; M1124-K1128 WeakPolarHBondContact O-CG 3.07Å; M1124-K1128 PolarHBondContact O-N 3.38Å; M1124-K1128 VanDerWaalsContact O-N 3.08Å; M1124-K1128 HydrophobicContact SD-CD 3.95Å; M1124-K1128 WeakPolarHBondContact SD-CE 3.04Å; M1124-K1128 HydrophobicContact SD-CG 4.14Å; M1124-C1197 HydrophobicContact CB-CB 4.31Å; M1124-C1197 HydrophobicContact CE-CB 4.49Å; M1124-Y1200 HydrophobicContact CE-CD1 4.02Å; M1124-Y1200 HydrophobicContact SD-CD1 3.63Å; M1124-Y1200 HydrophobicContact SD-CE1 3.88Å |
| 1125 | I | 80.5 | Confident | 79.3 | Confident | 9 Ų | 9 | 25.9 Ų | 25.9 | 5% | 0.046 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.6 | -49.1 | 176.5 | -64.7 | 179.3 | 0 | 0 | 0 | 109.3 | T1044 V1047 A1048 L1051 H1117 S1120 H1122 A1127 K1128 A1129 | T1044-I1125 HydrophobicContact CG2-CD1 3.89Å; V1047-I1125 HydrophobicContact CB-CD1 4.36Å; V1047-I1125 HydrophobicContact CG1-CD1 4.18Å; V1047-I1125 HydrophobicContact CG1-CG1 4.47Å; V1047-I1125 HydrophobicContact CG1-CG2 4.47Å; A1048-I1125 HydrophobicContact CB-CG1 4.42Å; L1051-I1125 HydrophobicContact CD1-CG2 3.9Å; H1117-I1125 HydrophobicContact CB-CG2 3.88Å; H1117-I1125 WeakPolarHBondContact ND1-CG2 3.37Å; S1120-I1125 WeakPolarHBondContact OG-CG2 3.49Å; H1122-I1125 HydrophobicContact CB-CB 4.34Å; H1122-I1125 HydrophobicContact CB-CD1 3.98Å; H1122-I1125 HydrophobicContact CB-CG1 4.11Å; H1122-I1125 PolarHBondContact O-N 3.43Å; H1122-I1125 VanDerWaalsContact O-N 3.16Å; I1125-A1127 VanDerWaalsContact C-N 3.29Å; I1125-A1127 PolarHBondContact O-N 3.06Å; I1125-K1128 PolarHBondContact O-N 2.87Å; I1125-A1129 VanDerWaalsContact O-CB 3.23Å; I1125-A1129 WeakPolarHBondContact O-CB 3.17Å; I1125-A1129 PolarHBondContact O-N 3.39Å |
| 1126 | R | 82.4 | Confident | 78.9 | Confident | 37 Ų | 37 | 25.9 Ų | 25.9 | 14% | 0.14 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -52.1 | -47.6 | 172.4 | -74.9 | -173.6 | -91 | 153.2 | -9.1 | 111.5 | S1120 P1121 H1122 A1123 A1129 F1130 N1160 L1201 | S1120-R1126 WeakPolarHBondContact O-CD 3.14Å; S1120-R1126 WeakPolarHBondContact O-CG 3.42Å; S1120-R1126 PolarHBondContact O-NE 3.23Å; P1121-R1126 PolarHBondContact O-NH2 3.49Å; H1122-R1126 PolarHBondContact O-N 2.95Å; H1122-R1126 VanDerWaalsContact O-N 3.13Å; A1123-R1126 PolarHBondContact O-N 3.21Å; R1126-A1129 PolarHBondContact O-N 3.44Å; R1126-F1130 HydrophobicContact CB-CD2 4.46Å; R1126-F1130 HydrophobicContact CB-CE2 4.43Å; R1126-F1130 WeakPolarHBondContact O-CD2 3.17Å; R1126-F1130 PolarHBondContact O-N 3.18Å; R1126-N1160 WeakPolarHBondContact CD-OD1 3.28Å; R1126-N1160 PolarHBondContact NH1-OD1 2.85Å; R1126-L1201 HydrophobicContact CB-CD1 3.68Å |
| 1127 | A | 78.6 | Confident | 78.5 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.2 | -52.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1123 M1124 I1125 A1129 F1130 L1131 Y1200 L1201 C1204 | A1123-A1127 WeakPolarHBondContact O-CB 3.21Å; A1123-A1127 PolarHBondContact O-N 3.32Å; M1124-A1127 PolarHBondContact O-N 3Å; I1125-A1127 VanDerWaalsContact C-N 3.29Å; I1125-A1127 PolarHBondContact O-N 3.06Å; A1127-A1129 VanDerWaalsContact C-N 3.29Å; A1127-A1129 PolarHBondContact O-N 2.85Å; A1127-F1130 PolarHBondContact O-N 2.89Å; A1127-L1131 PolarHBondContact O-N 3.28Å; A1127-Y1200 HydrophobicContact CB-CD1 3.44Å; A1127-Y1200 VanDerWaalsContact CB-CD1 3.44Å; A1127-Y1200 HydrophobicContact CB-CE1 3.75Å; A1127-Y1200 HydrophobicContact CB-CG 4.46Å; A1127-L1201 HydrophobicContact CB-CB 4.06Å; A1127-L1201 HydrophobicContact CB-CD1 4.11Å; A1127-C1204 HydrophobicContact CB-CB 4.25Å; A1127-C1204 WeakPolarHBondContact O-CB 3.11Å |
| 1128 | K | 78.7 | Confident | 77.9 | Confident | 8 Ų | 8 | 22.9 Ų | 22.9 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -30 | 179.2 | -66.1 | 176.9 | 170.8 | 165.9 | 0 | 111.9 | D549 A1048 L1051 M1124 I1125 L1132 Y1200 | D549-K1128 IonicContact OD2-NZ 3.2Å; D549-K1128 PolarHBondContact OD2-NZ 3.23Å; A1048-K1128 WeakPolarHBondContact O-CD 3.46Å; A1048-K1128 WeakPolarHBondContact O-CE 3.42Å; A1048-K1128 PolarHBondContact O-NZ 3.26Å; L1051-K1128 HydrophobicContact CB-CB 3.76Å; L1051-K1128 HydrophobicContact CB-CD 4.37Å; L1051-K1128 HydrophobicContact CD1-CB 4.33Å; M1124-K1128 HydrophobicContact CG-CD 4.29Å; M1124-K1128 WeakPolarHBondContact O-CG 3.07Å; M1124-K1128 PolarHBondContact O-N 3.38Å; M1124-K1128 VanDerWaalsContact O-N 3.08Å; M1124-K1128 HydrophobicContact SD-CD 3.95Å; M1124-K1128 WeakPolarHBondContact SD-CE 3.04Å; M1124-K1128 HydrophobicContact SD-CG 4.14Å; I1125-K1128 PolarHBondContact O-N 2.87Å; K1128-L1132 PolarHBondContact O-N 3.03Å; K1128-L1132 VanDerWaalsContact O-N 3.07Å; K1128-Y1200 HydrophobicContact CG-CE1 3.91Å |
| 1129 | A | 83.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.4 | -37 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1117 L1118 I1125 R1126 A1127 L1132 S1133 | H1117-A1129 HydrophobicContact CB-CB 3.77Å; L1118-A1129 HydrophobicContact CD2-CB 3.75Å; L1118-A1129 HydrophobicContact CG-CB 4.46Å; I1125-A1129 VanDerWaalsContact O-CB 3.23Å; I1125-A1129 WeakPolarHBondContact O-CB 3.17Å; I1125-A1129 PolarHBondContact O-N 3.39Å; R1126-A1129 PolarHBondContact O-N 3.44Å; A1127-A1129 VanDerWaalsContact C-N 3.29Å; A1127-A1129 PolarHBondContact O-N 2.85Å; A1129-L1132 PolarHBondContact O-N 3.26Å; A1129-S1133 VanDerWaalsContact O-CB 3.3Å; A1129-S1133 WeakPolarHBondContact O-CB 3.48Å; A1129-S1133 PolarHBondContact O-N 3.4Å; A1129-S1133 PolarHBondContact O-OG 3.5Å |
| 1130 | F | 82.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 170.6 | -84.2 | -67.5 | 0 | 0 | 0 | 111.3 | L1118 R1126 A1127 L1132 S1133 S1134 L1153 L1157 N1160 L1201 C1204 V1205 M1208 | L1118-F1130 HydrophobicContact CD1-CE1 4.4Å; L1118-F1130 HydrophobicContact CD2-CB 4.38Å; L1118-F1130 HydrophobicContact CD2-CD1 3.75Å; L1118-F1130 HydrophobicContact CD2-CD2 3.81Å; L1118-F1130 HydrophobicContact CD2-CE1 3.9Å; L1118-F1130 HydrophobicContact CD2-CE2 3.94Å; L1118-F1130 HydrophobicContact CD2-CG 3.7Å; L1118-F1130 HydrophobicContact CD2-CZ 3.99Å; R1126-F1130 HydrophobicContact CB-CD2 4.46Å; R1126-F1130 HydrophobicContact CB-CE2 4.43Å; R1126-F1130 WeakPolarHBondContact O-CD2 3.17Å; R1126-F1130 PolarHBondContact O-N 3.18Å; A1127-F1130 PolarHBondContact O-N 2.89Å; F1130-L1132 PolarHBondContact O-N 3.49Å; F1130-S1133 WeakPolarHBondContact O-CB 3.43Å; F1130-S1133 PolarHBondContact O-N 3.24Å; F1130-S1134 PolarHBondContact O-N 3.21Å; F1130-L1153 HydrophobicContact CE1-CD1 3.93Å; F1130-L1157 HydrophobicContact CD1-CD2 4.2Å; F1130-L1157 HydrophobicContact CE1-CD2 3.62Å; F1130-L1157 HydrophobicContact CE1-CG 4.06Å; F1130-L1157 HydrophobicContact CZ-CD2 4.39Å; F1130-N1160 HydrophobicContact CE2-CB 4.22Å; F1130-N1160 WeakPolarHBondContact CE2-ND2 3.24Å; F1130-N1160 HydrophobicContact CZ-CB 4.38Å; F1130-L1201 HydrophobicContact CD2-CD1 3.98Å; F1130-L1201 HydrophobicContact CE2-CD1 4.21Å; F1130-C1204 HydrophobicContact CB-CB 4.26Å; F1130-V1205 HydrophobicContact CB-CG2 4.42Å; F1130-V1205 HydrophobicContact CD1-CG2 4.31Å; F1130-V1205 HydrophobicContact CD2-CG2 3.34Å; F1130-V1205 HydrophobicContact CE1-CG2 4.45Å; F1130-V1205 HydrophobicContact CE2-CG2 3.53Å; F1130-V1205 HydrophobicContact CG-CG2 3.79Å; F1130-V1205 HydrophobicContact CZ-CG2 4.1Å; F1130-M1208 HydrophobicContact CD1-CB 4.39Å; F1130-M1208 HydrophobicContact CD1-CG 4.17Å |
| 1131 | L | 80.1 | Confident | 76 | Confident | 30 Ų | 30 | 23.6 Ų | 23.6 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 175.5 | -169.7 | 74.3 | 0 | 0 | 0 | 111.5 | A1055 L1059 A1127 S1134 A1135 | A1055-L1131 HydrophobicContact CB-CD2 4.11Å; L1059-L1131 HydrophobicContact CD1-CD1 4.48Å; L1059-L1131 HydrophobicContact CD1-CD2 3.69Å; L1059-L1131 HydrophobicContact CD1-CG 3.87Å; A1127-L1131 PolarHBondContact O-N 3.28Å; L1131-S1134 PolarHBondContact O-N 3.49Å; L1131-S1134 PolarHBondContact O-OG 3.45Å; L1131-A1135 PolarHBondContact O-N 3.07Å |
| 1132 | L | 81.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.6 | -35.9 | 175.4 | -77.1 | 162.7 | 0 | 0 | 0 | 112.8 | L1051 A1054 A1055 L1058 I1114 K1128 A1129 F1130 S1134 A1135 I1136 | L1051-L1132 HydrophobicContact CB-CD1 4.23Å; L1051-L1132 HydrophobicContact CD2-CD1 3.7Å; A1054-L1132 HydrophobicContact CB-CD1 4.13Å; A1054-L1132 HydrophobicContact CB-CD2 4.27Å; A1055-L1132 HydrophobicContact CB-CD2 4.45Å; A1055-L1132 HydrophobicContact CB-CG 4.5Å; L1058-L1132 HydrophobicContact CD1-CD2 3.94Å; I1114-L1132 HydrophobicContact CD1-CB 4.45Å; I1114-L1132 HydrophobicContact CD1-CD1 3.82Å; I1114-L1132 HydrophobicContact CG2-CB 3.94Å; K1128-L1132 PolarHBondContact O-N 3.03Å; K1128-L1132 VanDerWaalsContact O-N 3.07Å; A1129-L1132 PolarHBondContact O-N 3.26Å; F1130-L1132 PolarHBondContact O-N 3.49Å; L1132-S1134 VanDerWaalsContact C-N 3.32Å; L1132-S1134 PolarHBondContact O-N 3.27Å; L1132-A1135 WeakPolarHBondContact O-CB 3.49Å; L1132-A1135 PolarHBondContact O-N 2.93Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.23Å; L1132-I1136 PolarHBondContact O-N 3.37Å |
| 1133 | S | 81.9 | Confident | 74.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 173.3 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | A1129 F1130 A1135 I1136 I1137 | A1129-S1133 VanDerWaalsContact O-CB 3.3Å; A1129-S1133 WeakPolarHBondContact O-CB 3.48Å; A1129-S1133 PolarHBondContact O-N 3.4Å; A1129-S1133 PolarHBondContact O-OG 3.5Å; F1130-S1133 WeakPolarHBondContact O-CB 3.43Å; F1130-S1133 PolarHBondContact O-N 3.24Å; S1133-A1135 VanDerWaalsContact C-N 3.27Å; S1133-A1135 PolarHBondContact O-N 3.29Å; S1133-I1136 PolarHBondContact O-N 3.41Å; S1133-I1137 WeakPolarHBondContact O-CG1 2.86Å; S1133-I1137 PolarHBondContact O-N 2.89Å |
| 1134 | S | 74.9 | Confident | 74.5 | Confident | 5 Ų | 5 | 23 Ų | 23 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.5 | -35.3 | 175.7 | 77.5 | 0 | 0 | 0 | 0 | 112.1 | F1130 L1131 L1132 A1138 M1208 | F1130-S1134 PolarHBondContact O-N 3.21Å; L1131-S1134 PolarHBondContact O-N 3.49Å; L1131-S1134 PolarHBondContact O-OG 3.45Å; L1132-S1134 VanDerWaalsContact C-N 3.32Å; L1132-S1134 PolarHBondContact O-N 3.27Å; S1134-A1138 WeakPolarHBondContact O-CB 3.18Å; S1134-A1138 PolarHBondContact O-N 3.33Å; S1134-M1208 WeakPolarHBondContact CA-SD 3.29Å; S1134-M1208 PolarHBondContact N-SD 3.36Å |
| 1135 | A | 71.3 | Confident | 74.3 | Confident | 6 Ų | 6 | 21.5 Ų | 21.5 | 5% | 0.05 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68 | -42 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1059 L1131 L1132 S1133 N1139 | L1059-A1135 HydrophobicContact CD2-CB 3.54Å; L1131-A1135 PolarHBondContact O-N 3.07Å; L1132-A1135 WeakPolarHBondContact O-CB 3.49Å; L1132-A1135 PolarHBondContact O-N 2.93Å; S1133-A1135 VanDerWaalsContact C-N 3.27Å; S1133-A1135 PolarHBondContact O-N 3.29Å; A1135-N1139 PolarHBondContact O-N 3.43Å; A1135-N1139 PolarHBondContact O-ND2 3.34Å |
| 1136 | I | 76.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.1 | -52.2 | 178.4 | -68.8 | 163.1 | 0 | 0 | 0 | 109.7 | L1105 I1111 I1114 L1132 S1133 N1139 S1140 T1144 | L1105-I1136 HydrophobicContact CD2-CG1 3.53Å; I1111-I1136 HydrophobicContact CG1-CG2 4.35Å; I1111-I1136 HydrophobicContact CG2-CG2 4.46Å; I1114-I1136 HydrophobicContact CB-CD1 4.19Å; I1114-I1136 HydrophobicContact CG1-CD1 4.37Å; I1114-I1136 HydrophobicContact CG2-CD1 4.06Å; L1132-I1136 WeakPolarHBondContact O-CG1 3.23Å; L1132-I1136 PolarHBondContact O-N 3.37Å; S1133-I1136 PolarHBondContact O-N 3.41Å; I1136-N1139 PolarHBondContact O-N 3.05Å; I1136-S1140 PolarHBondContact O-N 3.09Å; I1136-S1140 PolarHBondContact O-OG 2.86Å; I1136-T1144 HydrophobicContact CG2-CG2 3.81Å |
| 1137 | I | 74.8 | Confident | 73.2 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.7 | -35.5 | -174.2 | -53.5 | 165.5 | 0 | 0 | 0 | 110.9 | S1133 N1139 P1141 L1145 A1148 L1153 M1208 I1216 | S1133-I1137 WeakPolarHBondContact O-CG1 2.86Å; S1133-I1137 PolarHBondContact O-N 2.89Å; I1137-N1139 VanDerWaalsContact C-N 3.29Å; I1137-N1139 PolarHBondContact O-N 3.36Å; I1137-P1141 VanDerWaalsContact O-CA 3.25Å; I1137-P1141 WeakPolarHBondContact O-CA 3.33Å; I1137-P1141 WeakPolarHBondContact O-CB 3.29Å; I1137-P1141 WeakPolarHBondContact O-CD 3.29Å; I1137-L1145 HydrophobicContact CG2-CD1 4.39Å; I1137-A1148 HydrophobicContact CD1-CB 4.28Å; I1137-L1153 HydrophobicContact CD1-CD2 3.99Å; I1137-M1208 HydrophobicContact CD1-CE 3.92Å; I1137-M1208 HydrophobicContact CD1-SD 4.36Å; I1137-I1216 HydrophobicContact CB-CD1 4.21Å; I1137-I1216 HydrophobicContact CG2-CD1 3.48Å; I1137-I1216 VanDerWaalsContact CG2-CD1 3.48Å; I1137-I1216 HydrophobicContact CG2-CG1 4.41Å |
| 1138 | A | 69.8 | Low | 72.8 | Confident | 52 Ų | 52 | 22.3 Ų | 22.3 | 43% | 0.43 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -68 | -21.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1134 I1211 | S1134-A1138 WeakPolarHBondContact O-CB 3.18Å; S1134-A1138 PolarHBondContact O-N 3.33Å; A1138-I1211 HydrophobicContact CB-CG2 4.46Å |
| 1139 | N | 68.8 | Low | 72.2 | Confident | 47 Ų | 47 | 22.6 Ų | 22.6 | 25% | 0.251 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -89.4 | -28.8 | 177.3 | -88.2 | -84.4 | 0 | 0 | 0 | 114.1 | L1062 A1135 I1136 I1137 | L1062-N1139 WeakPolarHBondContact CD1-ND2 3.36Å; L1062-N1139 WeakPolarHBondContact CD2-OD1 3.47Å; A1135-N1139 PolarHBondContact O-N 3.43Å; A1135-N1139 PolarHBondContact O-ND2 3.34Å; I1136-N1139 PolarHBondContact O-N 3.05Å; I1137-N1139 VanDerWaalsContact C-N 3.29Å; I1137-N1139 PolarHBondContact O-N 3.36Å |
| 1140 | S | 66.1 | Low | 71.8 | Confident | 43 Ų | 43 | 30.1 Ų | 30.1 | 30% | 0.301 | 17% | 0.173 | S | C | . | . | trans | -150 | 62.6 | -171.7 | 40 | 0 | 0 | 0 | 0 | 111.5 | I1136 Q1142 T1144 | I1136-S1140 PolarHBondContact O-N 3.09Å; I1136-S1140 PolarHBondContact O-OG 2.86Å; S1140-Q1142 VanDerWaalsContact C-N 3.34Å; S1140-Q1142 PolarHBondContact O-N 2.89Å; S1140-T1144 WeakPolarHBondContact O-CB 3.38Å; S1140-T1144 WeakPolarHBondContact O-CG2 3.46Å; S1140-T1144 PolarHBondContact O-N 2.84Å; S1140-T1144 PolarHBondContact O-OG1 2.97Å; S1140-T1144 WeakPolarHBondContact OG-CG2 3.5Å | ||
| 1141 | P | 62.7 | Low | 71.2 | Confident | 40 Ų | 40 | 33.2 Ų | 33.2 | 26% | 0.26 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.4 | -29.9 | -167.7 | 24 | -34.1 | 0 | 0 | 0 | 114.3 | I1137 L1145 I1216 | I1137-P1141 VanDerWaalsContact O-CA 3.25Å; I1137-P1141 WeakPolarHBondContact O-CA 3.33Å; I1137-P1141 WeakPolarHBondContact O-CB 3.29Å; I1137-P1141 WeakPolarHBondContact O-CD 3.29Å; P1141-L1145 WeakPolarHBondContact O-CB 3.49Å; P1141-L1145 PolarHBondContact O-N 3.06Å; P1141-I1216 HydrophobicContact CB-CG2 4.23Å |
| 1142 | Q | 61.9 | Low | 70.8 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 29% | 0.29 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.8 | -51.7 | -171.8 | -70.3 | 177.7 | -13.3 | 0 | 0 | 112.7 | S1140 | S1140-Q1142 VanDerWaalsContact C-N 3.34Å; S1140-Q1142 PolarHBondContact O-N 2.89Å |
| 1143 | D | 64.9 | Low | 70.6 | Confident | 101 Ų | 101 | 39.9 Ų | 39.9 | 54% | 0.54 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -88.5 | -37.7 | -178.9 | -54.8 | -47.7 | 0 | 0 | 0 | 112.5 | L1145 S1146 V1147 | D1143-L1145 PolarHBondContact O-N 2.98Å; D1143-S1146 PolarHBondContact O-N 3.43Å; D1143-V1147 PolarHBondContact O-N 3.29Å |
| 1144 | T | 69.8 | Low | 70.1 | Confident | 9 Ų | 9 | 40.2 Ų | 40.2 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.1 | -25.6 | -171.5 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | I1111 I1136 S1140 V1147 A1148 | I1111-T1144 HydrophobicContact CD1-CG2 4.44Å; I1136-T1144 HydrophobicContact CG2-CG2 3.81Å; S1140-T1144 WeakPolarHBondContact O-CB 3.38Å; S1140-T1144 WeakPolarHBondContact O-CG2 3.46Å; S1140-T1144 PolarHBondContact O-N 2.84Å; S1140-T1144 PolarHBondContact O-OG1 2.97Å; S1140-T1144 WeakPolarHBondContact OG-CG2 3.5Å; T1144-V1147 PolarHBondContact O-N 3.4Å; T1144-A1148 WeakPolarHBondContact O-CB 3.47Å; T1144-A1148 PolarHBondContact O-N 3.29Å |
| 1145 | L | 70.3 | Confident | 70.1 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 175.9 | -173.5 | 65.5 | 0 | 0 | 0 | 111.6 | I1137 P1141 D1143 A1148 C1149 L1212 I1216 I1220 A1298 | I1137-L1145 HydrophobicContact CG2-CD1 4.39Å; P1141-L1145 WeakPolarHBondContact O-CB 3.49Å; P1141-L1145 PolarHBondContact O-N 3.06Å; D1143-L1145 PolarHBondContact O-N 2.98Å; L1145-A1148 PolarHBondContact O-N 2.74Å; L1145-C1149 PolarHBondContact O-N 3.15Å; L1145-C1149 PolarHBondContact O-SG 3.13Å; L1145-C1149 VanDerWaalsContact O-SG 3.41Å; L1145-L1212 HydrophobicContact CD1-CD2 4.03Å; L1145-I1216 HydrophobicContact CD2-CG2 4.5Å; L1145-I1220 HydrophobicContact CD2-CD1 3.86Å; L1145-A1298 HydrophobicContact CD2-CB 4.36Å |
| 1146 | S | 67.3 | Low | 70.4 | Confident | 34 Ų | 34 | 43.9 Ų | 43.9 | 24% | 0.238 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | D1143 A1148 C1149 H1150 | D1143-S1146 PolarHBondContact O-N 3.43Å; S1146-A1148 VanDerWaalsContact C-N 3.31Å; S1146-A1148 PolarHBondContact O-N 3.44Å; S1146-C1149 PolarHBondContact O-N 3.25Å; S1146-H1150 PolarHBondContact O-CD2 3.5Å; S1146-H1150 PolarHBondContact O-N 2.82Å |
| 1147 | V | 72.2 | Confident | 70.5 | Confident | 30 Ų | 30 | 44.1 Ų | 44.1 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 111.1 | I1111 F1115 D1143 T1144 H1150 Y1151 | I1111-V1147 HydrophobicContact CG2-CG1 4.35Å; F1115-V1147 HydrophobicContact CD2-CG1 4.08Å; F1115-V1147 HydrophobicContact CE2-CB 4.38Å; F1115-V1147 HydrophobicContact CE2-CG1 3.93Å; D1143-V1147 PolarHBondContact O-N 3.29Å; T1144-V1147 PolarHBondContact O-N 3.4Å; V1147-H1150 PolarHBondContact O-N 2.78Å; V1147-Y1151 HydrophobicContact CG1-CD2 4.04Å; V1147-Y1151 HydrophobicContact CG1-CE2 4.07Å; V1147-Y1151 WeakPolarHBondContact O-CD2 3.38Å; V1147-Y1151 PolarHBondContact O-N 2.95Å; V1147-Y1151 VanDerWaalsContact O-N 3.12Å |
| 1148 | A | 69.5 | Low | 70.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1115 I1137 T1144 L1145 S1146 Y1151 R1152 L1153 | F1115-A1148 HydrophobicContact CE1-CB 3.83Å; F1115-A1148 HydrophobicContact CE2-CB 4Å; F1115-A1148 HydrophobicContact CZ-CB 3.51Å; I1137-A1148 HydrophobicContact CD1-CB 4.28Å; T1144-A1148 WeakPolarHBondContact O-CB 3.47Å; T1144-A1148 PolarHBondContact O-N 3.29Å; L1145-A1148 PolarHBondContact O-N 2.74Å; S1146-A1148 VanDerWaalsContact C-N 3.31Å; S1146-A1148 PolarHBondContact O-N 3.44Å; A1148-Y1151 CarbonylContact O-C 3.54Å; A1148-Y1151 WeakPolarHBondContact O-CA 3.31Å; A1148-Y1151 PolarHBondContact O-N 3.17Å; A1148-Y1151 VanDerWaalsContact O-N 3.16Å; A1148-R1152 PolarHBondContact O-N 3.01Å; A1148-L1153 HydrophobicContact CB-CB 4.06Å; A1148-L1153 HydrophobicContact CB-CD2 3.66Å; A1148-L1153 HydrophobicContact CB-CG 4.46Å; A1148-L1153 WeakPolarHBondContact O-CB 3.3Å; A1148-L1153 PolarHBondContact O-N 3.25Å |
| 1149 | C | 67.5 | Low | 71 | Confident | 14 Ų | 14 | 48.5 Ų | 48.5 | 10% | 0.095 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.7 | -38.5 | 174.9 | -73.8 | 0 | 0 | 0 | 0 | 112.4 | L1145 S1146 Y1151 R1152 C1301 L1304 | L1145-C1149 PolarHBondContact O-N 3.15Å; L1145-C1149 PolarHBondContact O-SG 3.13Å; L1145-C1149 VanDerWaalsContact O-SG 3.41Å; S1146-C1149 PolarHBondContact O-N 3.25Å; C1149-Y1151 VanDerWaalsContact C-N 3.31Å; C1149-Y1151 PolarHBondContact O-N 3.32Å; C1149-R1152 WeakPolarHBondContact O-CA 3.36Å; C1149-R1152 PolarHBondContact O-N 3.03Å; C1149-C1301 VanDerWaalsContact SG-SG 3.65Å; C1149-L1304 HydrophobicContact CB-CD2 4.2Å |
| 1150 | H | 74.4 | Confident | 71.5 | Confident | 158 Ų | 158 | 46.2 Ų | 46.2 | 73% | 0.731 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62.1 | -35.4 | 171.2 | -78.2 | -60.7 | 0 | 0 | 0 | 113 | S1146 V1147 R1152 | S1146-H1150 PolarHBondContact O-CD2 3.5Å; S1146-H1150 PolarHBondContact O-N 2.82Å; V1147-H1150 PolarHBondContact O-N 2.78Å; H1150-R1152 PolarHBondContact O-N 3.19Å; H1150-R1152 VanDerWaalsContact O-N 3.15Å |
| 1151 | Y | 69 | Low | 71.8 | Confident | 64 Ų | 64 | 44.4 Ų | 44.4 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 23.7 | 169.5 | -78.1 | -71.3 | 0 | 0 | 0 | 113.9 | N1112 F1115 R1116 V1147 A1148 C1149 L1153 L1156 | N1112-Y1151 HydrophobicContact CB-CE2 4.26Å; N1112-Y1151 WeakPolarHBondContact CB-OH 3.13Å; F1115-Y1151 HydrophobicContact CB-CD1 4.32Å; F1115-Y1151 HydrophobicContact CB-CD2 3.78Å; F1115-Y1151 HydrophobicContact CB-CE2 4.42Å; F1115-Y1151 HydrophobicContact CB-CG 3.73Å; F1115-Y1151 AromaticContact CD2-CD2 3.77Å; F1115-Y1151 HydrophobicContact CD2-CD2 3.77Å; F1115-Y1151 HydrophobicContact CD2-CE2 4.37Å; F1115-Y1151 HydrophobicContact CD2-CG 4.47Å; F1115-Y1151 HydrophobicContact CG-CD2 4.16Å; F1115-Y1151 HydrophobicContact CG-CG 4.43Å; R1116-Y1151 HydrophobicContact CG-CE1 4.29Å; V1147-Y1151 HydrophobicContact CG1-CD2 4.04Å; V1147-Y1151 HydrophobicContact CG1-CE2 4.07Å; V1147-Y1151 WeakPolarHBondContact O-CD2 3.38Å; V1147-Y1151 PolarHBondContact O-N 2.95Å; V1147-Y1151 VanDerWaalsContact O-N 3.12Å; A1148-Y1151 CarbonylContact O-C 3.54Å; A1148-Y1151 WeakPolarHBondContact O-CA 3.31Å; A1148-Y1151 PolarHBondContact O-N 3.17Å; A1148-Y1151 VanDerWaalsContact O-N 3.16Å; C1149-Y1151 VanDerWaalsContact C-N 3.31Å; C1149-Y1151 PolarHBondContact O-N 3.32Å; Y1151-L1153 PolarHBondContact O-N 3.46Å; Y1151-L1153 VanDerWaalsContact O-N 3.13Å; Y1151-L1156 WeakPolarHBondContact O-CD1 3.34Å |
| 1152 | R | 73 | Confident | 72.3 | Confident | 167 Ų | 167 | 47.6 Ų | 47.6 | 63% | 0.63 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 26.4 | 175.1 | -59.2 | 175.1 | 166.2 | 176.6 | -6.1 | 114.1 | A1148 C1149 H1150 P1154 T1155 L1156 | A1148-R1152 PolarHBondContact O-N 3.01Å; C1149-R1152 WeakPolarHBondContact O-CA 3.36Å; C1149-R1152 PolarHBondContact O-N 3.03Å; H1150-R1152 PolarHBondContact O-N 3.19Å; H1150-R1152 VanDerWaalsContact O-N 3.15Å; R1152-P1154 VanDerWaalsContact C-CD 3.43Å; R1152-P1154 VanDerWaalsContact C-N 3.3Å; R1152-P1154 VanDerWaalsContact O-N 3.12Å; R1152-T1155 PolarHBondContact O-N 3.02Å; R1152-T1155 PolarHBondContact O-OG1 3.41Å; R1152-L1156 PolarHBondContact O-N 3.48Å |
| 1153 | L | 77.3 | Confident | 72.7 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -49 | -41.1 | -177.9 | 178.3 | 65.7 | 0 | 0 | 0 | 113.8 | L1118 F1130 I1137 A1148 Y1151 T1155 L1156 L1157 | L1118-L1153 HydrophobicContact CD1-CD1 3.74Å; F1130-L1153 HydrophobicContact CE1-CD1 3.93Å; I1137-L1153 HydrophobicContact CD1-CD2 3.99Å; A1148-L1153 HydrophobicContact CB-CB 4.06Å; A1148-L1153 HydrophobicContact CB-CD2 3.66Å; A1148-L1153 HydrophobicContact CB-CG 4.46Å; A1148-L1153 WeakPolarHBondContact O-CB 3.3Å; A1148-L1153 PolarHBondContact O-N 3.25Å; Y1151-L1153 PolarHBondContact O-N 3.46Å; Y1151-L1153 VanDerWaalsContact O-N 3.13Å; L1153-T1155 PolarHBondContact O-N 3.27Å; L1153-L1156 PolarHBondContact O-N 3.23Å; L1153-L1157 HydrophobicContact CD1-CD1 4Å; L1153-L1157 HydrophobicContact CD1-CG 3.86Å; L1153-L1157 HydrophobicContact CD2-CD1 4.26Å; L1153-L1157 HydrophobicContact CG-CD1 3.76Å; L1153-L1157 HydrophobicContact CG-CG 4.14Å; L1153-L1157 WeakPolarHBondContact O-CB 3.37Å; L1153-L1157 WeakPolarHBondContact O-CG 3.35Å; L1153-L1157 PolarHBondContact O-N 3.32Å |
| 1154 | P | 71.7 | Confident | 72.6 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -44.8 | 177 | -26.7 | 36.2 | 0 | 0 | 0 | 113.7 | R1152 L1157 E1158 I1305 | R1152-P1154 VanDerWaalsContact C-CD 3.43Å; R1152-P1154 VanDerWaalsContact C-N 3.3Å; R1152-P1154 VanDerWaalsContact O-N 3.12Å; P1154-L1157 PolarHBondContact O-N 3.29Å; P1154-E1158 WeakPolarHBondContact O-CB 3.5Å; P1154-E1158 PolarHBondContact O-N 2.91Å; P1154-I1305 HydrophobicContact CG-CG1 4.13Å |
| 1155 | T | 74.5 | Confident | 72.1 | Confident | 79 Ų | 79 | 47.9 Ų | 47.9 | 49% | 0.485 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -75.1 | -28.5 | -179.7 | 75.7 | 0 | 0 | 0 | 0 | 111.7 | R1152 L1153 R1159 | R1152-T1155 PolarHBondContact O-N 3.02Å; R1152-T1155 PolarHBondContact O-OG1 3.41Å; L1153-T1155 PolarHBondContact O-N 3.27Å; T1155-R1159 WeakPolarHBondContact O-CB 3.44Å; T1155-R1159 PolarHBondContact O-N 3.32Å |
| 1156 | L | 77.8 | Confident | 71.4 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.1 | -41.7 | 172.3 | -66.9 | 174 | 0 | 0 | 0 | 111.7 | L1118 E1119 Y1151 R1152 L1153 E1158 R1159 N1160 | L1118-L1156 HydrophobicContact CB-CD1 3.85Å; E1119-L1156 HydrophobicContact CG-CD1 3.88Å; E1119-L1156 HydrophobicContact CG-CD2 4.19Å; Y1151-L1156 WeakPolarHBondContact O-CD1 3.34Å; R1152-L1156 PolarHBondContact O-N 3.48Å; L1153-L1156 PolarHBondContact O-N 3.23Å; L1156-E1158 VanDerWaalsContact C-N 3.33Å; L1156-R1159 PolarHBondContact O-N 3.23Å; L1156-N1160 WeakPolarHBondContact O-CB 3.49Å; L1156-N1160 PolarHBondContact O-N 3.41Å; L1156-N1160 PolarHBondContact O-ND2 3.05Å |
| 1157 | L | 78.1 | Confident | 70.7 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.4 | -48.7 | 169.9 | -80.5 | 165.9 | 0 | 0 | 0 | 110 | F1130 L1153 P1154 N1160 L1161 V1205 M1208 L1212 I1312 | F1130-L1157 HydrophobicContact CD1-CD2 4.2Å; F1130-L1157 HydrophobicContact CE1-CD2 3.62Å; F1130-L1157 HydrophobicContact CE1-CG 4.06Å; F1130-L1157 HydrophobicContact CZ-CD2 4.39Å; L1153-L1157 HydrophobicContact CD1-CD1 4Å; L1153-L1157 HydrophobicContact CD1-CG 3.86Å; L1153-L1157 HydrophobicContact CD2-CD1 4.26Å; L1153-L1157 HydrophobicContact CG-CD1 3.76Å; L1153-L1157 HydrophobicContact CG-CG 4.14Å; L1153-L1157 WeakPolarHBondContact O-CB 3.37Å; L1153-L1157 WeakPolarHBondContact O-CG 3.35Å; L1153-L1157 PolarHBondContact O-N 3.32Å; P1154-L1157 PolarHBondContact O-N 3.29Å; L1157-N1160 PolarHBondContact O-N 3.07Å; L1157-L1161 HydrophobicContact CB-CD1 4.48Å; L1157-L1161 VanDerWaalsContact O-CB 3.3Å; L1157-L1161 WeakPolarHBondContact O-CB 3.25Å; L1157-L1161 VanDerWaalsContact O-CG 3.27Å; L1157-L1161 WeakPolarHBondContact O-CG 3.37Å; L1157-L1161 PolarHBondContact O-N 3.45Å; L1157-V1205 HydrophobicContact CD2-CG1 4.23Å; L1157-M1208 HydrophobicContact CD2-CB 4.43Å; L1157-M1208 HydrophobicContact CD2-CG 4.02Å; L1157-L1212 HydrophobicContact CD1-CD1 3.7Å; L1157-I1312 HydrophobicContact CD1-CD1 3.87Å |
| 1158 | E | 74.5 | Confident | 69.3 | Low | 39 Ų | 39 | 50.6 Ų | 50.6 | 18% | 0.182 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.4 | -41.7 | -179.3 | -154.7 | -158.3 | -152.7 | 0 | 0 | 113 | P1154 L1156 N1160 L1161 K1162 G1308 C1309 G1310 | P1154-E1158 WeakPolarHBondContact O-CB 3.5Å; P1154-E1158 PolarHBondContact O-N 2.91Å; L1156-E1158 VanDerWaalsContact C-N 3.33Å; E1158-N1160 VanDerWaalsContact C-N 3.3Å; E1158-N1160 PolarHBondContact O-N 3.22Å; E1158-L1161 PolarHBondContact O-N 2.93Å; E1158-K1162 HydrophobicContact CG-CD 3.97Å; E1158-K1162 HydrophobicContact CG-CG 4.21Å; E1158-K1162 WeakPolarHBondContact O-CB 3.49Å; E1158-K1162 WeakPolarHBondContact O-CG 3.47Å; E1158-K1162 PolarHBondContact O-N 2.87Å; E1158-K1162 WeakPolarHBondContact OE1-CE 3.21Å; E1158-K1162 IonicContact OE1-NZ 2.67Å; E1158-K1162 PolarHBondContact OE1-NZ 2.98Å; E1158-K1162 VanDerWaalsContact OE2-CE 3.28Å; E1158-K1162 WeakPolarHBondContact OE2-CE 3.22Å; E1158-K1162 IonicContact OE2-NZ 2.75Å; E1158-K1162 PolarHBondContact OE2-NZ 3.13Å; E1158-G1308 WeakPolarHBondContact CB-O 3.44Å; E1158-C1309 HydrophobicContact CB-CB 4.22Å; E1158-G1310 PolarHBondContact OE1-N 3.2Å |
| 1159 | R | 79.4 | Confident | 68 | Low | 105 Ų | 105 | 56.8 Ų | 56.8 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -53.9 | -47.7 | 173 | 179 | 179.8 | 75.8 | 143.9 | -4.4 | 111.1 | L1118 E1119 T1155 L1156 A1163 | L1118-R1159 PolarHBondContact O-NH2 3.35Å; E1119-R1159 PolarHBondContact O-NH2 3.05Å; T1155-R1159 WeakPolarHBondContact O-CB 3.44Å; T1155-R1159 PolarHBondContact O-N 3.32Å; L1156-R1159 PolarHBondContact O-N 3.23Å; R1159-A1163 VanDerWaalsContact O-CB 3.32Å; R1159-A1163 WeakPolarHBondContact O-CB 3.27Å; R1159-A1163 PolarHBondContact O-N 3.03Å; R1159-A1163 VanDerWaalsContact O-N 3.11Å |
| 1160 | N | 79.9 | Confident | 66.5 | Low | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.7 | -45.6 | -178.7 | -73.6 | -78.1 | 0 | 0 | 0 | 111.5 | R1126 F1130 L1156 L1157 E1158 K1162 A1163 T1164 V1205 | R1126-N1160 WeakPolarHBondContact CD-OD1 3.28Å; R1126-N1160 PolarHBondContact NH1-OD1 2.85Å; F1130-N1160 HydrophobicContact CE2-CB 4.22Å; F1130-N1160 WeakPolarHBondContact CE2-ND2 3.24Å; F1130-N1160 HydrophobicContact CZ-CB 4.38Å; L1156-N1160 WeakPolarHBondContact O-CB 3.49Å; L1156-N1160 PolarHBondContact O-N 3.41Å; L1156-N1160 PolarHBondContact O-ND2 3.05Å; L1157-N1160 PolarHBondContact O-N 3.07Å; E1158-N1160 VanDerWaalsContact C-N 3.3Å; E1158-N1160 PolarHBondContact O-N 3.22Å; N1160-K1162 PolarHBondContact O-N 2.94Å; N1160-A1163 CarbonylContact O-C 3.59Å; N1160-A1163 WeakPolarHBondContact O-CB 3.3Å; N1160-A1163 PolarHBondContact O-N 3.46Å; N1160-A1163 VanDerWaalsContact O-N 3.15Å; N1160-T1164 WeakPolarHBondContact O-CG2 3.39Å; N1160-T1164 PolarHBondContact O-N 3.29Å; N1160-T1164 PolarHBondContact O-OG1 3.01Å; N1160-V1205 HydrophobicContact CB-CG1 4.23Å; N1160-V1205 HydrophobicContact CB-CG2 4.08Å |
| 1161 | L | 72.4 | Confident | 64.5 | Low | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -38.8 | 177.3 | -72.1 | 163.1 | 0 | 0 | 0 | 112.6 | L1157 E1158 A1163 T1164 R1165 N1168 V1205 P1311 I1312 | L1157-L1161 HydrophobicContact CB-CD1 4.48Å; L1157-L1161 VanDerWaalsContact O-CB 3.3Å; L1157-L1161 WeakPolarHBondContact O-CB 3.25Å; L1157-L1161 VanDerWaalsContact O-CG 3.27Å; L1157-L1161 WeakPolarHBondContact O-CG 3.37Å; L1157-L1161 PolarHBondContact O-N 3.45Å; E1158-L1161 PolarHBondContact O-N 2.93Å; L1161-A1163 VanDerWaalsContact C-N 3.34Å; L1161-T1164 CarbonylContact O-C 3.54Å; L1161-T1164 PolarHBondContact O-N 2.65Å; L1161-R1165 WeakPolarHBondContact O-CG 3.46Å; L1161-R1165 PolarHBondContact O-N 2.92Å; L1161-N1168 WeakPolarHBondContact CD2-ND2 3.42Å; L1161-V1205 HydrophobicContact CD1-CG1 4.34Å; L1161-V1205 HydrophobicContact CD2-CG1 3.59Å; L1161-V1205 HydrophobicContact CG-CG1 3.52Å; L1161-P1311 HydrophobicContact CB-CG 3.9Å; L1161-P1311 HydrophobicContact CD1-CB 4.12Å; L1161-P1311 HydrophobicContact CD1-CG 4.07Å; L1161-P1311 HydrophobicContact CG-CG 4.49Å; L1161-I1312 HydrophobicContact CD1-CG1 4.49Å |
| 1162 | K | 72.9 | Confident | 62.9 | Low | 107 Ų | 107 | 56.6 Ų | 56.6 | 47% | 0.465 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 171.8 | -79.8 | 172.7 | 169.2 | 168.2 | 0 | 110.4 | E1158 N1160 T1164 R1165 | E1158-K1162 HydrophobicContact CG-CD 3.97Å; E1158-K1162 HydrophobicContact CG-CG 4.21Å; E1158-K1162 WeakPolarHBondContact O-CB 3.49Å; E1158-K1162 WeakPolarHBondContact O-CG 3.47Å; E1158-K1162 PolarHBondContact O-N 2.87Å; E1158-K1162 WeakPolarHBondContact OE1-CE 3.21Å; E1158-K1162 IonicContact OE1-NZ 2.67Å; E1158-K1162 PolarHBondContact OE1-NZ 2.98Å; E1158-K1162 VanDerWaalsContact OE2-CE 3.28Å; E1158-K1162 WeakPolarHBondContact OE2-CE 3.22Å; E1158-K1162 IonicContact OE2-NZ 2.75Å; E1158-K1162 PolarHBondContact OE2-NZ 3.13Å; N1160-K1162 PolarHBondContact O-N 2.94Å; K1162-T1164 VanDerWaalsContact C-N 3.32Å; K1162-T1164 PolarHBondContact O-N 3.28Å; K1162-R1165 PolarHBondContact O-N 3Å |
| 1163 | A | 69.6 | Low | 61 | Low | 69 Ų | 69 | 53 Ų | 53 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -68.2 | -25.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1159 N1160 L1161 | R1159-A1163 VanDerWaalsContact O-CB 3.32Å; R1159-A1163 WeakPolarHBondContact O-CB 3.27Å; R1159-A1163 PolarHBondContact O-N 3.03Å; R1159-A1163 VanDerWaalsContact O-N 3.11Å; N1160-A1163 CarbonylContact O-C 3.59Å; N1160-A1163 WeakPolarHBondContact O-CB 3.3Å; N1160-A1163 PolarHBondContact O-N 3.46Å; N1160-A1163 VanDerWaalsContact O-N 3.15Å; L1161-A1163 VanDerWaalsContact C-N 3.34Å |
| 1164 | T | 64.1 | Low | 58.8 | Low | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -103.9 | 6.9 | 176.8 | 70.3 | 0 | 0 | 0 | 0 | 114.1 | N1160 L1161 K1162 T1166 L1167 N1168 L1201 A1202 | N1160-T1164 WeakPolarHBondContact O-CG2 3.39Å; N1160-T1164 PolarHBondContact O-N 3.29Å; N1160-T1164 PolarHBondContact O-OG1 3.01Å; L1161-T1164 CarbonylContact O-C 3.54Å; L1161-T1164 PolarHBondContact O-N 2.65Å; K1162-T1164 VanDerWaalsContact C-N 3.32Å; K1162-T1164 PolarHBondContact O-N 3.28Å; T1164-T1166 PolarHBondContact O-N 3.15Å; T1164-T1166 VanDerWaalsContact O-N 3.16Å; T1164-L1167 CarbonylContact O-C 3.45Å; T1164-L1167 WeakPolarHBondContact O-CA 3.27Å; T1164-L1167 WeakPolarHBondContact O-CB 3.44Å; T1164-L1167 PolarHBondContact O-N 3.2Å; T1164-N1168 WeakPolarHBondContact CB-OD1 3.16Å; T1164-N1168 PolarHBondContact O-N 3Å; T1164-N1168 PolarHBondContact O-OD1 2.82Å; T1164-N1168 VanDerWaalsContact O-OD1 3.07Å; T1164-N1168 PolarHBondContact OG1-OD1 3.39Å; T1164-L1201 HydrophobicContact CG2-CG 4.49Å; T1164-A1202 HydrophobicContact CG2-CB 3.89Å |
| 1165 | R | 58.8 | Low | 56.9 | Low | 109 Ų | 109 | 62 Ų | 62 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -55.3 | -37.3 | -178.5 | -101.6 | 170.6 | -173.1 | 179.8 | -1.6 | 112.9 | L1161 K1162 L1167 H1169 | L1161-R1165 WeakPolarHBondContact O-CG 3.46Å; L1161-R1165 PolarHBondContact O-N 2.92Å; K1162-R1165 PolarHBondContact O-N 3Å; R1165-L1167 PolarHBondContact O-N 2.82Å; R1165-H1169 PolarHBondContact O-CD2 3.27Å |
| 1166 | T | 55.1 | Low | 54.8 | Low | 91 Ų | 91 | 63.6 Ų | 63.6 | 56% | 0.558 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.3 | -22.6 | 175.2 | 58 | 0 | 0 | 0 | 0 | 114 | T1164 E1194 | T1164-T1166 PolarHBondContact O-N 3.15Å; T1164-T1166 VanDerWaalsContact O-N 3.16Å; T1166-E1194 PolarHBondContact OG1-OE1 2.87Å |
| 1167 | L | 52 | Low | 52.4 | Low | 12 Ų | 12 | 71.3 Ų | 71.3 | 6% | 0.063 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -93.7 | -38.1 | 178.4 | -64.6 | 174.6 | 0 | 0 | 0 | 111.8 | T1164 R1165 H1169 R1170 Y1171 E1194 V1199 A1202 | T1164-L1167 CarbonylContact O-C 3.45Å; T1164-L1167 WeakPolarHBondContact O-CA 3.27Å; T1164-L1167 WeakPolarHBondContact O-CB 3.44Å; T1164-L1167 PolarHBondContact O-N 3.2Å; R1165-L1167 PolarHBondContact O-N 2.82Å; L1167-H1169 VanDerWaalsContact C-N 3.29Å; L1167-H1169 PolarHBondContact O-N 2.81Å; L1167-R1170 PolarHBondContact O-N 2.74Å; L1167-R1170 VanDerWaalsContact O-N 3.1Å; L1167-Y1171 PolarHBondContact O-N 3.45Å; L1167-E1194 HydrophobicContact CD2-CB 4.14Å; L1167-E1194 VanDerWaalsContact CD2-CD 3.4Å; L1167-E1194 HydrophobicContact CD2-CG 4.11Å; L1167-E1194 WeakPolarHBondContact CD2-OE2 3.33Å; L1167-V1199 HydrophobicContact CD1-CG2 4.06Å; L1167-V1199 HydrophobicContact CD2-CG2 3.97Å; L1167-A1202 HydrophobicContact CB-CB 4.17Å |
| 1168 | N | 43.9 | Very low | 49.9 | Very low | 19 Ų | 19 | 73.6 Ų | 73.6 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.1 | -33.7 | -176.5 | -75.9 | 26.5 | 0 | 0 | 0 | 112.7 | L1161 T1164 Y1171 N1172 T1206 | L1161-N1168 WeakPolarHBondContact CD2-ND2 3.42Å; T1164-N1168 WeakPolarHBondContact CB-OD1 3.16Å; T1164-N1168 PolarHBondContact O-N 3Å; T1164-N1168 PolarHBondContact O-OD1 2.82Å; T1164-N1168 VanDerWaalsContact O-OD1 3.07Å; T1164-N1168 PolarHBondContact OG1-OD1 3.39Å; N1168-Y1171 PolarHBondContact O-N 3.12Å; N1168-N1172 PolarHBondContact O-N 3.38Å; N1168-N1172 PolarHBondContact O-OD1 3.01Å; N1168-T1206 WeakPolarHBondContact ND2-CG2 3.41Å |
| 1169 | H | 43.1 | Very low | 47.6 | Very low | 130 Ų | 130 | 79.3 Ų | 79.3 | 60% | 0.602 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.8 | -55.3 | 170.7 | -78.4 | -75.1 | 0 | 0 | 0 | 110.5 | R1165 L1167 Y1171 N1172 D1173 | R1165-H1169 PolarHBondContact O-CD2 3.27Å; L1167-H1169 VanDerWaalsContact C-N 3.29Å; L1167-H1169 PolarHBondContact O-N 2.81Å; H1169-Y1171 PolarHBondContact O-N 3.15Å; H1169-Y1171 VanDerWaalsContact O-N 3.1Å; H1169-N1172 PolarHBondContact O-N 3.27Å; H1169-D1173 WeakPolarHBondContact O-CB 3.35Å; H1169-D1173 PolarHBondContact O-N 2.95Å; H1169-D1173 VanDerWaalsContact O-OD2 3.11Å |
| 1170 | R | 34.8 | Very low | 45.1 | Very low | 102 Ų | 102 | 80.4 Ų | 80.4 | 39% | 0.385 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.9 | -20.1 | 177.6 | -52.7 | -169.4 | -146.2 | 134.9 | 16 | 114.3 | L1167 E1194 | L1167-R1170 PolarHBondContact O-N 2.74Å; L1167-R1170 VanDerWaalsContact O-N 3.1Å; R1170-E1194 IonicContact CZ-OE2 2.79Å; R1170-E1194 VanDerWaalsContact CZ-OE2 3.24Å; R1170-E1194 IonicContact NH1-OE2 2.74Å; R1170-E1194 PolarHBondContact NH1-OE2 3.4Å; R1170-E1194 IonicContact NH2-OE1 3.46Å; R1170-E1194 PolarHBondContact NH2-OE1 3.26Å; R1170-E1194 VanDerWaalsContact NH2-OE1 3.15Å; R1170-E1194 IonicContact NH2-OE2 2.76Å; R1170-E1194 PolarHBondContact NH2-OE2 3.41Å |
| 1171 | Y | 32.3 | Very low | 42.5 | Very low | 78 Ų | 78 | 88 Ų | 88 | 31% | 0.306 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -83.2 | -43.3 | 177.3 | -169.5 | -96.2 | 0 | 0 | 0 | 112 | L1167 N1168 H1169 A1174 F1175 A1203 | L1167-Y1171 PolarHBondContact O-N 3.45Å; N1168-Y1171 PolarHBondContact O-N 3.12Å; H1169-Y1171 PolarHBondContact O-N 3.15Å; H1169-Y1171 VanDerWaalsContact O-N 3.1Å; Y1171-A1174 PolarHBondContact O-N 3.22Å; Y1171-F1175 HydrophobicContact CE1-CD2 4.38Å; Y1171-F1175 PolarHBondContact O-N 2.95Å; Y1171-A1203 HydrophobicContact CD2-CB 4.33Å; Y1171-A1203 HydrophobicContact CE1-CB 4.37Å; Y1171-A1203 HydrophobicContact CE2-CB 3.59Å |
| 1172 | N | 35.2 | Very low | 40.3 | Very low | 53 Ų | 53 | 94.2 Ų | 94.2 | 28% | 0.283 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 176.1 | -64.7 | 5.5 | 0 | 0 | 0 | 110.9 | N1168 H1169 A1174 F1175 D1176 | N1168-N1172 PolarHBondContact O-N 3.38Å; N1168-N1172 PolarHBondContact O-OD1 3.01Å; H1169-N1172 PolarHBondContact O-N 3.27Å; N1172-A1174 PolarHBondContact O-N 3.46Å; N1172-A1174 VanDerWaalsContact O-N 3.08Å; N1172-F1175 PolarHBondContact O-N 3.5Å; N1172-D1176 PolarHBondContact O-N 2.94Å; N1172-D1176 VanDerWaalsContact O-N 3.13Å |
| 1173 | D | 33.2 | Very low | 38 | Very low | 92 Ų | 92 | 93.2 Ų | 93.2 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.1 | -22.9 | 172 | -63.5 | -20.3 | 0 | 0 | 0 | 112.2 | H1169 | H1169-D1173 WeakPolarHBondContact O-CB 3.35Å; H1169-D1173 PolarHBondContact O-N 2.95Å; H1169-D1173 VanDerWaalsContact O-OD2 3.11Å |
| 1174 | A | 32.5 | Very low | 35.9 | Very low | 58 Ų | 58 | 97.5 Ų | 97.5 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -91 | -6.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1171 N1172 | Y1171-A1174 PolarHBondContact O-N 3.22Å; N1172-A1174 PolarHBondContact O-N 3.46Å; N1172-A1174 VanDerWaalsContact O-N 3.08Å |
| 1175 | F | 30.3 | Very low | 34.2 | Very low | 139 Ų | 139 | 104.6 Ų | 104.6 | 61% | 0.61 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -107 | -36.6 | 178.9 | -114.3 | -91 | 0 | 0 | 0 | 113 | Y1171 N1172 | Y1171-F1175 HydrophobicContact CE1-CD2 4.38Å; Y1171-F1175 PolarHBondContact O-N 2.95Å; N1172-F1175 PolarHBondContact O-N 3.5Å |
| 1176 | D | 30 | Very low | 32.6 | Very low | 114 Ų | 114 | 103.4 Ų | 103.4 | 61% | 0.61 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -92.4 | -15.4 | -175.6 | -75 | -42.9 | 0 | 0 | 0 | 114.9 | N1172 S1178 | N1172-D1176 PolarHBondContact O-N 2.94Å; N1172-D1176 VanDerWaalsContact O-N 3.13Å; D1176-S1178 PolarHBondContact O-N 3.24Å |
| 1177 | Y | 28.3 | Very low | 31.3 | Very low | 171 Ų | 171 | 101.6 Ų | 101.6 | 67% | 0.671 | 54% | 0.543 | S | S | * | . | trans | -99.7 | 71.3 | -176.7 | -100 | -89.1 | 0 | 0 | 0 | 113.4 | ||||
| 1178 | S | 26.6 | Very low | 30.2 | Very low | 53 Ų | 53 | 101.5 Ų | 101.5 | 37% | 0.371 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -143.3 | 13.6 | 177.2 | 56.9 | 0 | 0 | 0 | 0 | 117.4 | N570 D1176 | N570-S1178 WeakPolarHBondContact OD1-CB 3.17Å; D1176-S1178 PolarHBondContact O-N 3.24Å |
| 1179 | L | 24.7 | Very low | 29.4 | Very low | 158 Ų | 158 | 105 Ų | 105 | 83% | 0.827 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -146.5 | 123 | 164.3 | -100.9 | 142.4 | 0 | 0 | 0 | 111 | ||
| 1180 | T | 27.5 | Very low | 28.7 | Very low | 129 Ų | 129 | 99.1 Ų | 99.1 | 79% | 0.791 | 54% | 0.544 | S | S | * | . | S | Bend | trans | 74.7 | 130.6 | -170.8 | 72.1 | 0 | 0 | 0 | 0 | 116.6 | ||
| 1181 | K | 25.6 | Very low | 28.3 | Very low | 158 Ų | 158 | 99.9 Ų | 99.9 | 69% | 0.687 | 55% | 0.552 | S | S | * | * | trans | 52.4 | 86.5 | -179.2 | -71.8 | -169.8 | 175.4 | -176.4 | 0 | 117.7 | S1183 | K1181-S1183 PolarHBondContact O-N 3.39Š| ||
| 1182 | S | 25 | Very low | 28.3 | Very low | 136 Ų | 136 | 102.7 Ų | 102.7 | 95% | 0.951 | 57% | 0.572 | S | S | * | * | trans | -94.8 | 70.9 | 163.5 | 60.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1183 | S | 25.1 | Very low | 28.2 | Very low | 85 Ų | 85 | 106.1 Ų | 106.1 | 59% | 0.594 | 60% | 0.595 | S | S | * | * | trans | -142 | 126.9 | 177.6 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | K1181 | K1181-S1183 PolarHBondContact O-N 3.39Š| ||
| 1184 | N | 25.1 | Very low | 28.7 | Very low | 159 Ų | 159 | 104.5 Ų | 104.5 | 85% | 0.85 | 58% | 0.584 | S | S | * | * | trans | 63.4 | 93 | -178.6 | -58.3 | -21.4 | 0 | 0 | 0 | 116 | ||||
| 1185 | I | 28.5 | Very low | 29.7 | Very low | 151 Ų | 151 | 103.9 Ų | 103.9 | 77% | 0.774 | 58% | 0.577 | S | S | * | * | trans | -164.8 | 112 | 132.3 | -94.3 | 146 | 0 | 0 | 0 | 109 | ||||
| 1186 | S | 25.4 | Very low | 30.9 | Very low | 83 Ų | 83 | 99.3 Ų | 99.3 | 58% | 0.58 | 56% | 0.561 | S | S | * | * | trans | 152.8 | 152.8 | 147 | 69.4 | 0 | 0 | 0 | 0 | 109.7 | K559 | K559-S1186 PolarHBondContact NZ-OG 3.25Å; K559-S1186 VanDerWaalsContact NZ-OG 3.11Å | ||
| 1187 | S | 27.5 | Very low | 32.4 | Very low | 53 Ų | 53 | 95.5 Ų | 95.5 | 37% | 0.371 | 54% | 0.543 | S | S | . | . | cis | -142.9 | 155.7 | 4.9 | 69.2 | 0 | 0 | 0 | 0 | 111.7 | I27 K28 Y29 | I27-S1187 CarbonylContact O-C 3.6Å; K28-S1187 CarbonylContact C-O 3.16Å; Y29-S1187 WeakPolarHBondContact CB-O 3.41Å; Y29-S1187 PolarHBondContact N-O 2.96Å | ||
| 1188 | S | 28.6 | Very low | 34.3 | Very low | 10 Ų | 10 | 89.3 Ų | 89.3 | 7% | 0.07 | 52% | 0.523 | C | S | . | . | -123.4 | 157.4 | 119 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | R22 I27 K28 Y29 | R22-S1188 WeakPolarHBondContact CD-OG 3.4Å; R22-S1188 WeakPolarHBondContact CG-OG 3.3Å; I27-S1188 VanDerWaalsContact C-N 3.26Å; I27-S1188 WeakPolarHBondContact CA-OG 3.09Å; I27-S1188 PolarHBondContact O-N 2.94Å; K28-S1188 PolarHBondContact N-OG 3.13Å; K28-S1188 WeakPolarHBondContact O-CB 3.23Å; K28-S1188 PolarHBondContact O-OG 3.2Å; K28-S1188 VanDerWaalsContact O-OG 3.06Å; Y29-S1188 VanDerWaalsContact CD2-CB 3.43Å; Y29-S1188 VanDerWaalsContact N-CB 3.25Å | |||
| 1189 | S | 27.6 | Very low | 36.1 | Very low | 94 Ų | 94 | 88.4 Ų | 88.4 | 66% | 0.657 | 52% | 0.515 | S | S | * | . | trans | -121.2 | 46.1 | 164.7 | 44 | 0 | 0 | 0 | 0 | 109.1 | Y29 Q1191 | Y29-S1189 VanDerWaalsContact CE2-N 3.35Å; Y29-S1189 PolarHBondContact OH-O 2.83Å; S1189-Q1191 VanDerWaalsContact C-N 3.32Å; S1189-Q1191 PolarHBondContact O-N 3.11Å | ||
| 1190 | G | 28.2 | Very low | 38.2 | Very low | 6 Ų | 6 | 85 Ų | 85 | 6% | 0.062 | 49% | 0.492 | C | S | . | . | trans | -68.2 | 81.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y7 R22 Y29 | Y7-G1190 VanDerWaalsContact OH-C 3.26Å; Y7-G1190 WeakPolarHBondContact OH-CA 3.34Å; Y7-G1190 PolarHBondContact OH-O 2.88Å; R22-G1190 VanDerWaalsContact CZ-O 3.29Å; R22-G1190 PolarHBondContact NE-O 3.38Å; R22-G1190 VanDerWaalsContact NE-O 3.11Å; R22-G1190 PolarHBondContact NH2-O 3.2Å; Y29-G1190 WeakPolarHBondContact OH-CA 3.29Å | ||
| 1191 | Q | 26.6 | Very low | 40.6 | Very low | 118 Ų | 118 | 79 Ų | 79 | 55% | 0.551 | 46% | 0.455 | S | S | * | . | S | Bend | trans | 46.9 | 87.6 | 169.4 | -65.2 | -173.8 | -3.3 | 0 | 0 | 115.3 | Y7 S1189 | Y7-Q1191 VanDerWaalsContact CD1-CD 3.49Å; Y7-Q1191 HydrophobicContact CD1-CG 3.95Å; Y7-Q1191 HydrophobicContact CE1-CB 3.88Å; Y7-Q1191 VanDerWaalsContact CE1-CD 3.42Å; Y7-Q1191 HydrophobicContact CE1-CG 3.58Å; S1189-Q1191 VanDerWaalsContact C-N 3.32Å; S1189-Q1191 PolarHBondContact O-N 3.11Å |
| 1192 | N | 32 | Very low | 42.7 | Very low | 137 Ų | 137 | 71.6 Ų | 71.6 | 73% | 0.733 | 42% | 0.423 | S | S | * | . | -141.2 | 137.6 | 117.9 | -92.7 | -36.8 | 0 | 0 | 0 | 107.7 | E1194 | N1192-E1194 HydrophobicContact CB-CG 4.23Å; N1192-E1194 PolarHBondContact O-N 2.84Å | |||
| 1193 | T | 33.3 | Very low | 44.7 | Very low | 125 Ų | 125 | 65.9 Ų | 65.9 | 77% | 0.767 | 38% | 0.384 | S | S | * | . | trans | -81.5 | 66.6 | -179.2 | 42.2 | 0 | 0 | 0 | 0 | 110.4 | S1195 | T1193-S1195 PolarHBondContact O-N 3.47Š| ||
| 1194 | E | 43.6 | Very low | 47 | Very low | 57 Ų | 57 | 62.1 Ų | 62.1 | 27% | 0.266 | 36% | 0.358 | S | S | . | . | trans | -60.1 | 119.8 | -176.6 | -67.3 | 165.3 | 146.7 | 0 | 0 | 110.5 | T1166 L1167 R1170 N1192 | T1166-E1194 PolarHBondContact OG1-OE1 2.87Å; L1167-E1194 HydrophobicContact CD2-CB 4.14Å; L1167-E1194 VanDerWaalsContact CD2-CD 3.4Å; L1167-E1194 HydrophobicContact CD2-CG 4.11Å; L1167-E1194 WeakPolarHBondContact CD2-OE2 3.33Å; R1170-E1194 IonicContact CZ-OE2 2.79Å; R1170-E1194 VanDerWaalsContact CZ-OE2 3.24Å; R1170-E1194 IonicContact NH1-OE2 2.74Å; R1170-E1194 PolarHBondContact NH1-OE2 3.4Å; R1170-E1194 IonicContact NH2-OE1 3.46Å; R1170-E1194 PolarHBondContact NH2-OE1 3.26Å; R1170-E1194 VanDerWaalsContact NH2-OE1 3.15Å; R1170-E1194 IonicContact NH2-OE2 2.76Å; R1170-E1194 PolarHBondContact NH2-OE2 3.41Å; N1192-E1194 HydrophobicContact CB-CG 4.23Å; N1192-E1194 PolarHBondContact O-N 2.84Å | ||
| 1195 | S | 53.5 | Low | 49.6 | Very low | 45 Ų | 45 | 54.5 Ų | 54.5 | 32% | 0.315 | 32% | 0.317 | S | S | . | . | trans | -70.6 | 150.6 | -173.6 | 78.4 | 0 | 0 | 0 | 0 | 112.3 | T1193 C1197 T1198 V1199 | T1193-S1195 PolarHBondContact O-N 3.47Å; S1195-C1197 PolarHBondContact O-N 3.31Å; S1195-T1198 WeakPolarHBondContact CA-OG1 3.12Å; S1195-T1198 PolarHBondContact N-OG1 3.49Å; S1195-T1198 PolarHBondContact O-N 3.14Å; S1195-T1198 PolarHBondContact O-OG1 3.46Å; S1195-T1198 PolarHBondContact OG-N 2.7Å; S1195-T1198 PolarHBondContact OG-OG1 3.07Å; S1195-V1199 PolarHBondContact O-N 3.47Å | ||
| 1196 | P | 55.3 | Low | 51.6 | Low | 43 Ų | 43 | 47.8 Ų | 47.8 | 28% | 0.279 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.2 | -38.9 | 171.6 | -18.1 | 25.4 | 0 | 0 | 0 | 111.7 | F554 T1198 V1199 Y1200 | F554-P1196 HydrophobicContact CB-CB 4.31Å; F554-P1196 HydrophobicContact CB-CG 3.7Å; F554-P1196 HydrophobicContact CD1-CB 3.9Å; F554-P1196 HydrophobicContact CD1-CG 4.02Å; F554-P1196 HydrophobicContact CE1-CB 4.38Å; F554-P1196 HydrophobicContact CG-CB 4.03Å; F554-P1196 HydrophobicContact CG-CG 3.96Å; P1196-T1198 VanDerWaalsContact C-N 3.29Å; P1196-T1198 PolarHBondContact O-N 2.85Å; P1196-V1199 PolarHBondContact O-N 3.1Å; P1196-Y1200 PolarHBondContact O-N 2.9Å |
| 1197 | C | 62.2 | Low | 53.8 | Low | 35 Ų | 35 | 47.2 Ų | 47.2 | 24% | 0.236 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -34.2 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 112.9 | A1123 M1124 S1195 L1201 | A1123-C1197 HydrophobicContact CB-CB 3.95Å; M1124-C1197 HydrophobicContact CB-CB 4.31Å; M1124-C1197 HydrophobicContact CE-CB 4.49Å; S1195-C1197 PolarHBondContact O-N 3.31Å; C1197-L1201 WeakPolarHBondContact O-CB 3.41Å; C1197-L1201 PolarHBondContact O-N 3.48Å |
| 1198 | T | 68.7 | Low | 56.3 | Low | 41 Ų | 41 | 44.7 Ų | 44.7 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -76.6 | -28.6 | 175.7 | 33.9 | 0 | 0 | 0 | 0 | 113.3 | A1123 S1195 P1196 A1202 | A1123-T1198 HydrophobicContact CB-CG2 4.14Å; S1195-T1198 WeakPolarHBondContact CA-OG1 3.12Å; S1195-T1198 PolarHBondContact N-OG1 3.49Å; S1195-T1198 PolarHBondContact O-N 3.14Å; S1195-T1198 PolarHBondContact O-OG1 3.46Å; S1195-T1198 PolarHBondContact OG-N 2.7Å; S1195-T1198 PolarHBondContact OG-OG1 3.07Å; P1196-T1198 VanDerWaalsContact C-N 3.29Å; P1196-T1198 PolarHBondContact O-N 2.85Å; T1198-A1202 WeakPolarHBondContact O-CB 3.36Å; T1198-A1202 PolarHBondContact O-N 3.37Å |
| 1199 | V | 64.9 | Low | 58.5 | Low | 34 Ų | 34 | 44.5 Ų | 44.5 | 21% | 0.206 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76 | -40.2 | 172.6 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | T558 L1167 S1195 P1196 L1201 A1202 A1203 | T558-V1199 HydrophobicContact CG2-CB 4.48Å; T558-V1199 HydrophobicContact CG2-CG1 4.49Å; T558-V1199 HydrophobicContact CG2-CG2 4.17Å; L1167-V1199 HydrophobicContact CD1-CG2 4.06Å; L1167-V1199 HydrophobicContact CD2-CG2 3.97Å; S1195-V1199 PolarHBondContact O-N 3.47Å; P1196-V1199 PolarHBondContact O-N 3.1Å; V1199-L1201 VanDerWaalsContact C-N 3.33Å; V1199-A1202 WeakPolarHBondContact O-CB 3.37Å; V1199-A1202 PolarHBondContact O-N 3.07Å; V1199-A1203 PolarHBondContact O-N 2.78Å |
| 1200 | Y | 68.8 | Low | 60.6 | Low | 87 Ų | 87 | 42.2 Ų | 42.2 | 34% | 0.341 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.6 | -36.3 | 172.5 | -174.3 | -108.2 | 0 | 0 | 0 | 112.1 | M1124 A1127 K1128 P1196 A1203 C1204 | M1124-Y1200 HydrophobicContact CE-CD1 4.02Å; M1124-Y1200 HydrophobicContact SD-CD1 3.63Å; M1124-Y1200 HydrophobicContact SD-CE1 3.88Å; A1127-Y1200 HydrophobicContact CB-CD1 3.44Å; A1127-Y1200 VanDerWaalsContact CB-CD1 3.44Å; A1127-Y1200 HydrophobicContact CB-CE1 3.75Å; A1127-Y1200 HydrophobicContact CB-CG 4.46Å; K1128-Y1200 HydrophobicContact CG-CE1 3.91Å; P1196-Y1200 PolarHBondContact O-N 2.9Å; Y1200-A1203 PolarHBondContact O-N 2.75Å; Y1200-C1204 PolarHBondContact O-N 3.31Å; Y1200-C1204 PolarHBondContact O-SG 3.04Å |
| 1201 | L | 76.7 | Confident | 62.7 | Low | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 169.1 | 177.5 | 64.7 | 0 | 0 | 0 | 111.8 | A1123 R1126 A1127 F1130 T1164 C1197 V1199 A1203 C1204 V1205 | A1123-L1201 HydrophobicContact CB-CD2 4Å; R1126-L1201 HydrophobicContact CB-CD1 3.68Å; A1127-L1201 HydrophobicContact CB-CB 4.06Å; A1127-L1201 HydrophobicContact CB-CD1 4.11Å; F1130-L1201 HydrophobicContact CD2-CD1 3.98Å; F1130-L1201 HydrophobicContact CE2-CD1 4.21Å; T1164-L1201 HydrophobicContact CG2-CG 4.49Å; C1197-L1201 WeakPolarHBondContact O-CB 3.41Å; C1197-L1201 PolarHBondContact O-N 3.48Å; V1199-L1201 VanDerWaalsContact C-N 3.33Å; L1201-A1203 VanDerWaalsContact C-N 3.35Å; L1201-A1203 PolarHBondContact O-N 3.46Å; L1201-C1204 PolarHBondContact O-N 2.95Å; L1201-V1205 HydrophobicContact CD1-CG2 3.67Å; L1201-V1205 HydrophobicContact CG-CG2 4.19Å; L1201-V1205 VanDerWaalsContact O-CB 3.29Å; L1201-V1205 WeakPolarHBondContact O-CB 3.33Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.35Å; L1201-V1205 PolarHBondContact O-N 2.92Å |
| 1202 | A | 69.1 | Low | 65 | Low | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -53.8 | -51.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | T1164 L1167 T1198 V1199 C1204 V1205 T1206 | T1164-A1202 HydrophobicContact CG2-CB 3.89Å; L1167-A1202 HydrophobicContact CB-CB 4.17Å; T1198-A1202 WeakPolarHBondContact O-CB 3.36Å; T1198-A1202 PolarHBondContact O-N 3.37Å; V1199-A1202 WeakPolarHBondContact O-CB 3.37Å; V1199-A1202 PolarHBondContact O-N 3.07Å; A1202-C1204 PolarHBondContact O-N 3.38Å; A1202-V1205 PolarHBondContact O-N 3.22Å; A1202-T1206 PolarHBondContact O-N 3.08Å; A1202-T1206 PolarHBondContact O-OG1 2.66Å; A1202-T1206 VanDerWaalsContact O-OG1 3.1Å |
| 1203 | A | 67.1 | Low | 66.8 | Low | 17 Ų | 17 | 31.8 Ų | 31.8 | 14% | 0.14 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y1171 V1199 Y1200 L1201 V1205 T1206 H1207 | Y1171-A1203 HydrophobicContact CD2-CB 4.33Å; Y1171-A1203 HydrophobicContact CE1-CB 4.37Å; Y1171-A1203 HydrophobicContact CE2-CB 3.59Å; V1199-A1203 PolarHBondContact O-N 2.78Å; Y1200-A1203 PolarHBondContact O-N 2.75Å; L1201-A1203 VanDerWaalsContact C-N 3.35Å; L1201-A1203 PolarHBondContact O-N 3.46Å; A1203-V1205 VanDerWaalsContact C-N 3.33Å; A1203-T1206 WeakPolarHBondContact CA-OG1 3.48Å; A1203-T1206 PolarHBondContact O-OG1 2.81Å; A1203-T1206 VanDerWaalsContact O-OG1 3.05Å; A1203-H1207 VanDerWaalsContact O-CB 3.23Å; A1203-H1207 WeakPolarHBondContact O-CB 3.45Å; A1203-H1207 PolarHBondContact O-N 3.28Å; A1203-H1207 VanDerWaalsContact O-N 3.07Å |
| 1204 | C | 74.7 | Confident | 68.3 | Low | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.034 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.7 | -31.2 | 177.6 | -65 | 0 | 0 | 0 | 0 | 112.3 | A1127 F1130 Y1200 L1201 A1202 M1208 | A1127-C1204 HydrophobicContact CB-CB 4.25Å; A1127-C1204 WeakPolarHBondContact O-CB 3.11Å; F1130-C1204 HydrophobicContact CB-CB 4.26Å; Y1200-C1204 PolarHBondContact O-N 3.31Å; Y1200-C1204 PolarHBondContact O-SG 3.04Å; L1201-C1204 PolarHBondContact O-N 2.95Å; A1202-C1204 PolarHBondContact O-N 3.38Å; C1204-M1208 PolarHBondContact O-N 2.94Å; C1204-M1208 VanDerWaalsContact O-N 3.11Å |
| 1205 | V | 78.5 | Confident | 69.4 | Low | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -81.9 | -36.3 | -179 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | F1130 L1157 N1160 L1161 L1201 A1202 A1203 M1208 A1209 | F1130-V1205 HydrophobicContact CB-CG2 4.42Å; F1130-V1205 HydrophobicContact CD1-CG2 4.31Å; F1130-V1205 HydrophobicContact CD2-CG2 3.34Å; F1130-V1205 HydrophobicContact CE1-CG2 4.45Å; F1130-V1205 HydrophobicContact CE2-CG2 3.53Å; F1130-V1205 HydrophobicContact CG-CG2 3.79Å; F1130-V1205 HydrophobicContact CZ-CG2 4.1Å; L1157-V1205 HydrophobicContact CD2-CG1 4.23Å; N1160-V1205 HydrophobicContact CB-CG1 4.23Å; N1160-V1205 HydrophobicContact CB-CG2 4.08Å; L1161-V1205 HydrophobicContact CD1-CG1 4.34Å; L1161-V1205 HydrophobicContact CD2-CG1 3.59Å; L1161-V1205 HydrophobicContact CG-CG1 3.52Å; L1201-V1205 HydrophobicContact CD1-CG2 3.67Å; L1201-V1205 HydrophobicContact CG-CG2 4.19Å; L1201-V1205 VanDerWaalsContact O-CB 3.29Å; L1201-V1205 WeakPolarHBondContact O-CB 3.33Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.35Å; L1201-V1205 PolarHBondContact O-N 2.92Å; A1202-V1205 PolarHBondContact O-N 3.22Å; A1203-V1205 VanDerWaalsContact C-N 3.33Å; V1205-M1208 PolarHBondContact O-N 3.42Å; V1205-A1209 WeakPolarHBondContact O-CB 3.46Å; V1205-A1209 PolarHBondContact O-N 3.11Å |
| 1206 | T | 72.3 | Confident | 70.3 | Confident | 9 Ų | 9 | 28.2 Ų | 28.2 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -50.2 | 167.9 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | N1168 A1202 A1203 M1208 A1209 D1210 | N1168-T1206 WeakPolarHBondContact ND2-CG2 3.41Å; A1202-T1206 PolarHBondContact O-N 3.08Å; A1202-T1206 PolarHBondContact O-OG1 2.66Å; A1202-T1206 VanDerWaalsContact O-OG1 3.1Å; A1203-T1206 WeakPolarHBondContact CA-OG1 3.48Å; A1203-T1206 PolarHBondContact O-OG1 2.81Å; A1203-T1206 VanDerWaalsContact O-OG1 3.05Å; T1206-M1208 VanDerWaalsContact C-N 3.28Å; T1206-M1208 PolarHBondContact O-N 3.47Å; T1206-A1209 CarbonylContact O-C 3.54Å; T1206-A1209 WeakPolarHBondContact O-CA 3.21Å; T1206-A1209 WeakPolarHBondContact O-CB 3.5Å; T1206-A1209 PolarHBondContact O-N 2.87Å; T1206-D1210 WeakPolarHBondContact O-CB 3.26Å; T1206-D1210 PolarHBondContact O-N 3.38Å; T1206-D1210 VanDerWaalsContact O-OD2 3.09Å |
| 1207 | H | 71.6 | Confident | 71.2 | Confident | 72 Ų | 72 | 26.3 Ų | 26.3 | 33% | 0.333 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -54.7 | -39.3 | 176.4 | -178.2 | -97.2 | 0 | 0 | 0 | 113.5 | A1203 I1211 | A1203-H1207 VanDerWaalsContact O-CB 3.23Å; A1203-H1207 WeakPolarHBondContact O-CB 3.45Å; A1203-H1207 PolarHBondContact O-N 3.28Å; A1203-H1207 VanDerWaalsContact O-N 3.07Å; H1207-I1211 WeakPolarHBondContact CE1-CD1 3.36Å; H1207-I1211 WeakPolarHBondContact O-CB 2.89Å; H1207-I1211 WeakPolarHBondContact O-CG1 3.41Å; H1207-I1211 PolarHBondContact O-N 3.18Å |
| 1208 | M | 79.7 | Confident | 71.6 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67 | -42.1 | 172.8 | -176.8 | 73.5 | -106.4 | 0 | 0 | 112.3 | F1130 S1134 I1137 L1157 C1204 V1205 T1206 D1210 L1212 I1216 | F1130-M1208 HydrophobicContact CD1-CB 4.39Å; F1130-M1208 HydrophobicContact CD1-CG 4.17Å; S1134-M1208 WeakPolarHBondContact CA-SD 3.29Å; S1134-M1208 PolarHBondContact N-SD 3.36Å; I1137-M1208 HydrophobicContact CD1-CE 3.92Å; I1137-M1208 HydrophobicContact CD1-SD 4.36Å; L1157-M1208 HydrophobicContact CD2-CB 4.43Å; L1157-M1208 HydrophobicContact CD2-CG 4.02Å; C1204-M1208 PolarHBondContact O-N 2.94Å; C1204-M1208 VanDerWaalsContact O-N 3.11Å; V1205-M1208 PolarHBondContact O-N 3.42Å; T1206-M1208 VanDerWaalsContact C-N 3.28Å; T1206-M1208 PolarHBondContact O-N 3.47Å; M1208-D1210 VanDerWaalsContact C-N 3.33Å; M1208-L1212 HydrophobicContact CE-CD1 4.06Å; M1208-L1212 HydrophobicContact CE-CD2 4.39Å; M1208-L1212 HydrophobicContact CE-CG 3.8Å; M1208-L1212 HydrophobicContact CG-CD1 4.46Å; M1208-L1212 WeakPolarHBondContact O-CG 3.46Å; M1208-L1212 PolarHBondContact O-N 2.75Å; M1208-I1216 HydrophobicContact CE-CD1 4.42Å |
| 1209 | A | 74.8 | Confident | 71.6 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 5% | 0.05 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -36.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1205 T1206 L1212 V1213 I1312 | V1205-A1209 WeakPolarHBondContact O-CB 3.46Å; V1205-A1209 PolarHBondContact O-N 3.11Å; T1206-A1209 CarbonylContact O-C 3.54Å; T1206-A1209 WeakPolarHBondContact O-CA 3.21Å; T1206-A1209 WeakPolarHBondContact O-CB 3.5Å; T1206-A1209 PolarHBondContact O-N 2.87Å; A1209-L1212 WeakPolarHBondContact O-CB 3.36Å; A1209-L1212 PolarHBondContact O-N 2.93Å; A1209-V1213 WeakPolarHBondContact O-CB 3.49Å; A1209-V1213 VanDerWaalsContact O-CG2 3.25Å; A1209-V1213 WeakPolarHBondContact O-CG2 2.99Å; A1209-V1213 PolarHBondContact O-N 2.92Å; A1209-I1312 HydrophobicContact CB-CD1 3.95Å; A1209-I1312 HydrophobicContact CB-CG1 3.89Å |
| 1210 | D | 70 | Confident | 72 | Confident | 46 Ų | 46 | 25.8 Ų | 25.8 | 25% | 0.246 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.1 | -39.3 | 179.6 | -64.2 | -33.5 | 0 | 0 | 0 | 111.4 | T1206 M1208 L1212 V1213 C1214 K1315 | T1206-D1210 WeakPolarHBondContact O-CB 3.26Å; T1206-D1210 PolarHBondContact O-N 3.38Å; T1206-D1210 VanDerWaalsContact O-OD2 3.09Å; M1208-D1210 VanDerWaalsContact C-N 3.33Å; D1210-L1212 VanDerWaalsContact C-N 3.28Å; D1210-L1212 PolarHBondContact O-N 3.28Å; D1210-V1213 PolarHBondContact O-N 2.88Å; D1210-C1214 WeakPolarHBondContact O-CB 3.39Å; D1210-C1214 PolarHBondContact O-N 3.16Å; D1210-C1214 PolarHBondContact O-SG 2.72Å; D1210-K1315 IonicContact OD1-NZ 2.9Å; D1210-K1315 PolarHBondContact OD1-NZ 3.07Å; D1210-K1315 IonicContact OD2-NZ 2.66Å |
| 1211 | I | 74.3 | Confident | 72.1 | Confident | 26 Ų | 26 | 21.7 Ų | 21.7 | 13% | 0.133 | 13% | 0.127 | C | C | . | . | I | π-helix | trans | -65 | -32.9 | 170.4 | -72.4 | 172.1 | 0 | 0 | 0 | 111.4 | A1138 H1207 D1215 I1216 | A1138-I1211 HydrophobicContact CB-CG2 4.46Å; H1207-I1211 WeakPolarHBondContact CE1-CD1 3.36Å; H1207-I1211 WeakPolarHBondContact O-CB 2.89Å; H1207-I1211 WeakPolarHBondContact O-CG1 3.41Å; H1207-I1211 PolarHBondContact O-N 3.18Å; I1211-D1215 HydrophobicContact CG2-CB 4.47Å; I1211-D1215 PolarHBondContact O-N 3.26Å; I1211-I1216 HydrophobicContact CG2-CD1 3.67Å; I1211-I1216 HydrophobicContact CG2-CG1 4.09Å; I1211-I1216 WeakPolarHBondContact O-CG1 3.47Å; I1211-I1216 PolarHBondContact O-N 3.01Å |
| 1212 | L | 73.7 | Confident | 71.7 | Confident | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -67 | -45.9 | 172.1 | -77.1 | 164.1 | 0 | 0 | 0 | 112.4 | L1145 L1157 M1208 A1209 D1210 I1216 I1217 I1312 | L1145-L1212 HydrophobicContact CD1-CD2 4.03Å; L1157-L1212 HydrophobicContact CD1-CD1 3.7Å; M1208-L1212 HydrophobicContact CE-CD1 4.06Å; M1208-L1212 HydrophobicContact CE-CD2 4.39Å; M1208-L1212 HydrophobicContact CE-CG 3.8Å; M1208-L1212 HydrophobicContact CG-CD1 4.46Å; M1208-L1212 WeakPolarHBondContact O-CG 3.46Å; M1208-L1212 PolarHBondContact O-N 2.75Å; A1209-L1212 WeakPolarHBondContact O-CB 3.36Å; A1209-L1212 PolarHBondContact O-N 2.93Å; D1210-L1212 VanDerWaalsContact C-N 3.28Å; D1210-L1212 PolarHBondContact O-N 3.28Å; L1212-I1216 HydrophobicContact CD2-CD1 3.81Å; L1212-I1216 HydrophobicContact CG-CD1 4.27Å; L1212-I1217 VanDerWaalsContact O-CB 3.25Å; L1212-I1217 WeakPolarHBondContact O-CB 3.46Å; L1212-I1217 VanDerWaalsContact O-CG1 3.29Å; L1212-I1217 WeakPolarHBondContact O-CG1 3.41Å; L1212-I1217 PolarHBondContact O-N 3.39Å; L1212-I1312 HydrophobicContact CD1-CD1 4.09Å |
| 1213 | V | 70.3 | Confident | 71.7 | Confident | 13 Ų | 13 | 29.2 Ų | 29.2 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -77.7 | -37.9 | -175.2 | 169.9 | 0 | 0 | 0 | 0 | 113.4 | A1209 D1210 P1218 I1312 K1315 L1316 | A1209-V1213 WeakPolarHBondContact O-CB 3.49Å; A1209-V1213 VanDerWaalsContact O-CG2 3.25Å; A1209-V1213 WeakPolarHBondContact O-CG2 2.99Å; A1209-V1213 PolarHBondContact O-N 2.92Å; D1210-V1213 PolarHBondContact O-N 2.88Å; V1213-P1218 WeakPolarHBondContact O-CD 3.27Å; V1213-P1218 WeakPolarHBondContact O-CG 3.35Å; V1213-I1312 HydrophobicContact CG2-CG2 4.19Å; V1213-K1315 HydrophobicContact CB-CB 4.48Å; V1213-K1315 HydrophobicContact CG1-CB 4.04Å; V1213-K1315 HydrophobicContact CG2-CB 3.77Å; V1213-L1316 HydrophobicContact CG1-CD2 4.47Å; V1213-L1316 HydrophobicContact CG2-CD2 4.13Å; V1213-L1316 HydrophobicContact CG2-CG 4.21Å |
| 1214 | C | 65.4 | Low | 71.8 | Confident | 86 Ų | 86 | 28.5 Ų | 28.5 | 58% | 0.581 | 15% | 0.152 | S | C | * | . | I | π-helix | trans | -99.8 | -40.1 | -170.4 | -58.1 | 0 | 0 | 0 | 0 | 113.3 | D1210 P1218 | D1210-C1214 WeakPolarHBondContact O-CB 3.39Å; D1210-C1214 PolarHBondContact O-N 3.16Å; D1210-C1214 PolarHBondContact O-SG 2.72Å; C1214-P1218 WeakPolarHBondContact O-CG 3.4Å |
| 1215 | D | 66.1 | Low | 71.3 | Confident | 59 Ų | 59 | 29 Ų | 29 | 32% | 0.316 | 15% | 0.154 | S | C | . | . | I | π-helix | trans | -95.9 | -61.1 | 179.4 | -86.1 | 34.1 | 0 | 0 | 0 | 110.8 | R1066 I1211 T1219 | R1066-D1215 IonicContact CZ-OD2 2.8Å; R1066-D1215 IonicContact NH1-OD2 3.85Å; R1066-D1215 PolarHBondContact NH1-OD2 2.9Å; R1066-D1215 IonicContact NH2-OD2 3.87Å; R1066-D1215 PolarHBondContact NH2-OD2 3.09Å; I1211-D1215 HydrophobicContact CG2-CB 4.47Å; I1211-D1215 PolarHBondContact O-N 3.26Å; D1215-T1219 WeakPolarHBondContact O-CB 3.46Å; D1215-T1219 PolarHBondContact O-N 2.98Å; D1215-T1219 PolarHBondContact O-OG1 3.21Å |
| 1216 | I | 71.9 | Confident | 70.6 | Confident | 8 Ų | 8 | 30.1 Ų | 30.1 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -74.3 | -59.3 | -162.6 | -60.9 | 160.1 | 0 | 0 | 0 | 113.2 | I1137 P1141 L1145 M1208 I1211 L1212 T1219 I1220 | I1137-I1216 HydrophobicContact CB-CD1 4.21Å; I1137-I1216 HydrophobicContact CG2-CD1 3.48Å; I1137-I1216 VanDerWaalsContact CG2-CD1 3.48Å; I1137-I1216 HydrophobicContact CG2-CG1 4.41Å; P1141-I1216 HydrophobicContact CB-CG2 4.23Å; L1145-I1216 HydrophobicContact CD2-CG2 4.5Å; M1208-I1216 HydrophobicContact CE-CD1 4.42Å; I1211-I1216 HydrophobicContact CG2-CD1 3.67Å; I1211-I1216 HydrophobicContact CG2-CG1 4.09Å; I1211-I1216 WeakPolarHBondContact O-CG1 3.47Å; I1211-I1216 PolarHBondContact O-N 3.01Å; L1212-I1216 HydrophobicContact CD2-CD1 3.81Å; L1212-I1216 HydrophobicContact CG-CD1 4.27Å; I1216-T1219 WeakPolarHBondContact O-CB 3.21Å; I1216-T1219 PolarHBondContact O-N 3.18Å; I1216-T1219 VanDerWaalsContact O-N 3.15Å; I1216-I1220 HydrophobicContact CG2-CD1 3.72Å; I1216-I1220 HydrophobicContact CG2-CG1 4.48Å; I1216-I1220 WeakPolarHBondContact O-CG1 3.11Å; I1216-I1220 PolarHBondContact O-N 3.42Å |
| 1217 | I | 73.5 | Confident | 70.1 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | -175.5 | -69.6 | 167 | 0 | 0 | 0 | 111.5 | L1212 T1219 I1220 C1221 L1302 I1305 L1316 F1365 | L1212-I1217 VanDerWaalsContact O-CB 3.25Å; L1212-I1217 WeakPolarHBondContact O-CB 3.46Å; L1212-I1217 VanDerWaalsContact O-CG1 3.29Å; L1212-I1217 WeakPolarHBondContact O-CG1 3.41Å; L1212-I1217 PolarHBondContact O-N 3.39Å; I1217-T1219 VanDerWaalsContact C-N 3.29Å; I1217-T1219 PolarHBondContact O-N 3.38Å; I1217-I1220 PolarHBondContact O-N 2.99Å; I1217-C1221 WeakPolarHBondContact O-CB 3.5Å; I1217-C1221 PolarHBondContact O-N 3.1Å; I1217-L1302 HydrophobicContact CD1-CD2 3.93Å; I1217-L1302 HydrophobicContact CG1-CD2 4.19Å; I1217-L1302 HydrophobicContact CG2-CD1 4.47Å; I1217-L1302 HydrophobicContact CG2-CD2 3.83Å; I1217-I1305 HydrophobicContact CD1-CG2 4.47Å; I1217-L1316 HydrophobicContact CB-CD2 4.27Å; I1217-L1316 HydrophobicContact CD1-CD1 3.88Å; I1217-L1316 HydrophobicContact CD1-CD2 3.89Å; I1217-L1316 HydrophobicContact CD1-CG 4.44Å; I1217-L1316 HydrophobicContact CG2-CD2 3.87Å; I1217-F1365 HydrophobicContact CG2-CE1 3.86Å; I1217-F1365 HydrophobicContact CG2-CZ 4.44Å |
| 1218 | P | 72.1 | Confident | 69.6 | Low | 23 Ų | 23 | 30 Ų | 30 | 15% | 0.149 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.9 | -37.6 | 173.5 | -25 | 37 | 0 | 0 | 0 | 112.2 | V1213 C1214 Y1222 F1365 | V1213-P1218 WeakPolarHBondContact O-CD 3.27Å; V1213-P1218 WeakPolarHBondContact O-CG 3.35Å; C1214-P1218 WeakPolarHBondContact O-CG 3.4Å; P1218-Y1222 WeakPolarHBondContact O-CB 3.4Å; P1218-Y1222 PolarHBondContact O-N 3.03Å; P1218-F1365 HydrophobicContact CB-CB 3.94Å; P1218-F1365 HydrophobicContact CB-CD1 4.4Å; P1218-F1365 HydrophobicContact CB-CD2 4.05Å; P1218-F1365 HydrophobicContact CB-CG 3.88Å; P1218-F1365 HydrophobicContact CG-CB 3.63Å; P1218-F1365 HydrophobicContact CG-CD1 3.86Å; P1218-F1365 HydrophobicContact CG-CD2 4.36Å; P1218-F1365 HydrophobicContact CG-CG 3.7Å |
| 1219 | T | 68.8 | Low | 68.5 | Low | 66 Ų | 66 | 32.9 Ų | 32.9 | 41% | 0.405 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | D1215 I1216 I1217 Q1223 | D1215-T1219 WeakPolarHBondContact O-CB 3.46Å; D1215-T1219 PolarHBondContact O-N 2.98Å; D1215-T1219 PolarHBondContact O-OG1 3.21Å; I1216-T1219 WeakPolarHBondContact O-CB 3.21Å; I1216-T1219 PolarHBondContact O-N 3.18Å; I1216-T1219 VanDerWaalsContact O-N 3.15Å; I1217-T1219 VanDerWaalsContact C-N 3.29Å; I1217-T1219 PolarHBondContact O-N 3.38Å; T1219-Q1223 WeakPolarHBondContact O-CB 3.33Å; T1219-Q1223 VanDerWaalsContact O-CG 3.26Å; T1219-Q1223 WeakPolarHBondContact O-CG 3.45Å; T1219-Q1223 PolarHBondContact O-N 2.89Å |
| 1220 | I | 71.8 | Confident | 67.7 | Low | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -50.5 | 175.7 | -66.9 | 163.2 | 0 | 0 | 0 | 110.1 | L1145 I1216 I1217 Y1222 Q1223 I1224 L1295 A1298 | L1145-I1220 HydrophobicContact CD2-CD1 3.86Å; I1216-I1220 HydrophobicContact CG2-CD1 3.72Å; I1216-I1220 HydrophobicContact CG2-CG1 4.48Å; I1216-I1220 WeakPolarHBondContact O-CG1 3.11Å; I1216-I1220 PolarHBondContact O-N 3.42Å; I1217-I1220 PolarHBondContact O-N 2.99Å; I1220-Y1222 VanDerWaalsContact C-N 3.33Å; I1220-Y1222 PolarHBondContact O-N 3.01Å; I1220-Q1223 PolarHBondContact O-N 3.17Å; I1220-I1224 HydrophobicContact CG2-CD1 3.91Å; I1220-I1224 WeakPolarHBondContact O-CG1 3.42Å; I1220-I1224 PolarHBondContact O-N 3.31Å; I1220-L1295 HydrophobicContact CG2-CD2 4.3Å; I1220-A1298 HydrophobicContact CD1-CB 4Å |
| 1221 | C | 72 | Confident | 66.8 | Low | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -36.2 | 178.5 | -76.5 | 0 | 0 | 0 | 0 | 112.8 | I1217 I1224 L1225 F1365 F1370 | I1217-C1221 WeakPolarHBondContact O-CB 3.5Å; I1217-C1221 PolarHBondContact O-N 3.1Å; C1221-I1224 PolarHBondContact O-N 3.36Å; C1221-L1225 WeakPolarHBondContact O-CG 3.33Å; C1221-L1225 PolarHBondContact O-N 2.87Å; C1221-F1365 HydrophobicContact CB-CE2 3.64Å; C1221-F1365 HydrophobicContact CB-CZ 3.6Å; C1221-F1370 HydrophobicContact CB-CD2 3.59Å; C1221-F1370 HydrophobicContact CB-CE2 3.54Å; C1221-F1370 HydrophobicContact CB-CG 4.21Å; C1221-F1370 HydrophobicContact CB-CZ 4.13Å; C1221-F1370 WeakPolarHBondContact O-CE2 2.98Å |
| 1222 | Y | 68.6 | Low | 65 | Low | 106 Ų | 106 | 38.7 Ų | 38.7 | 42% | 0.416 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.1 | -37.8 | 173.6 | -169.4 | -83.9 | 0 | 0 | 0 | 112.2 | P1218 I1220 I1224 L1225 S1226 I1231 I1236 | P1218-Y1222 WeakPolarHBondContact O-CB 3.4Å; P1218-Y1222 PolarHBondContact O-N 3.03Å; I1220-Y1222 VanDerWaalsContact C-N 3.33Å; I1220-Y1222 PolarHBondContact O-N 3.01Å; Y1222-I1224 VanDerWaalsContact C-N 3.28Å; Y1222-I1224 PolarHBondContact O-N 3.18Å; Y1222-L1225 PolarHBondContact O-N 3.12Å; Y1222-S1226 VanDerWaalsContact O-CB 3.3Å; Y1222-S1226 WeakPolarHBondContact O-CB 2.97Å; Y1222-S1226 PolarHBondContact O-N 3.29Å; Y1222-I1231 HydrophobicContact CD2-CD1 3.66Å; Y1222-I1231 HydrophobicContact CE2-CD1 3.49Å; Y1222-I1231 VanDerWaalsContact CE2-CD1 3.49Å; Y1222-I1231 HydrophobicContact CE2-CG2 4.35Å; Y1222-I1231 HydrophobicContact CG-CD1 4.27Å; Y1222-I1236 HydrophobicContact CE1-CD1 4.15Å; Y1222-I1236 HydrophobicContact CE1-CG1 4.44Å |
| 1223 | Q | 67.9 | Low | 63.2 | Low | 57 Ų | 57 | 44.1 Ų | 44.1 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.6 | -32.8 | 172.2 | -76.2 | 177 | 24.1 | 0 | 0 | 111.8 | T1219 I1220 A1227 L1295 | T1219-Q1223 WeakPolarHBondContact O-CB 3.33Å; T1219-Q1223 VanDerWaalsContact O-CG 3.26Å; T1219-Q1223 WeakPolarHBondContact O-CG 3.45Å; T1219-Q1223 PolarHBondContact O-N 2.89Å; I1220-Q1223 PolarHBondContact O-N 3.17Å; Q1223-A1227 WeakPolarHBondContact O-CB 3.22Å; Q1223-A1227 PolarHBondContact O-N 2.72Å; Q1223-L1295 HydrophobicContact CB-CD1 4.07Å; Q1223-L1295 HydrophobicContact CB-CD2 3.81Å |
| 1224 | I | 68.9 | Low | 61.4 | Low | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.3 | -47.5 | 173.5 | -67.4 | 163.9 | 0 | 0 | 0 | 111.4 | I1220 C1221 Y1222 S1226 A1227 V1228 F1299 F1370 I1403 | I1220-I1224 HydrophobicContact CG2-CD1 3.91Å; I1220-I1224 WeakPolarHBondContact O-CG1 3.42Å; I1220-I1224 PolarHBondContact O-N 3.31Å; C1221-I1224 PolarHBondContact O-N 3.36Å; Y1222-I1224 VanDerWaalsContact C-N 3.28Å; Y1222-I1224 PolarHBondContact O-N 3.18Å; I1224-S1226 PolarHBondContact O-N 3.02Å; I1224-A1227 WeakPolarHBondContact O-CA 3.22Å; I1224-A1227 WeakPolarHBondContact O-CB 3.38Å; I1224-A1227 PolarHBondContact O-N 3.48Å; I1224-V1228 HydrophobicContact CG2-CG2 4.33Å; I1224-V1228 WeakPolarHBondContact O-CG2 3.46Å; I1224-V1228 PolarHBondContact O-N 3.46Å; I1224-F1299 HydrophobicContact CD1-CB 3.72Å; I1224-F1299 HydrophobicContact CD1-CD1 4.2Å; I1224-F1299 HydrophobicContact CD1-CD2 3.22Å; I1224-F1299 HydrophobicContact CD1-CE2 3.86Å; I1224-F1299 HydrophobicContact CD1-CG 3.45Å; I1224-F1299 VanDerWaalsContact CD1-CG 3.45Å; I1224-F1370 HydrophobicContact CG2-CE2 4.49Å; I1224-F1370 HydrophobicContact CG2-CZ 4.31Å; I1224-I1403 HydrophobicContact CG2-CD1 3.92Å |
| 1225 | L | 66.1 | Low | 59.7 | Low | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.7 | -37.4 | 173 | -74 | 167.3 | 0 | 0 | 0 | 111.8 | C1221 Y1222 G1229 L1230 I1231 F1370 | C1221-L1225 WeakPolarHBondContact O-CG 3.33Å; C1221-L1225 PolarHBondContact O-N 2.87Å; Y1222-L1225 PolarHBondContact O-N 3.12Å; L1225-G1229 PolarHBondContact O-N 3.04Å; L1225-L1230 HydrophobicContact CD2-CB 4.13Å; L1225-L1230 HydrophobicContact CD2-CD1 3.67Å; L1225-L1230 PolarHBondContact O-N 3.46Å; L1225-I1231 HydrophobicContact CB-CD1 3.67Å; L1225-I1231 HydrophobicContact CB-CG1 4.03Å; L1225-I1231 HydrophobicContact CD1-CD1 4.1Å; L1225-F1370 HydrophobicContact CD1-CD2 4.01Å; L1225-F1370 HydrophobicContact CD1-CE2 4.44Å; L1225-F1370 HydrophobicContact CD2-CD2 4.43Å; L1225-F1370 HydrophobicContact CD2-CE2 4.5Å; L1225-F1370 HydrophobicContact CG-CD2 4.05Å; L1225-F1370 HydrophobicContact CG-CE2 4.03Å |
| 1226 | S | 62.4 | Low | 58.2 | Low | 24 Ų | 24 | 49.3 Ų | 49.3 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.8 | -22.4 | 174.1 | -173.9 | 0 | 0 | 0 | 0 | 114 | Y1222 I1224 | Y1222-S1226 VanDerWaalsContact O-CB 3.3Å; Y1222-S1226 WeakPolarHBondContact O-CB 2.97Å; Y1222-S1226 PolarHBondContact O-N 3.29Å; I1224-S1226 PolarHBondContact O-N 3.02Å |
| 1227 | A | 61.6 | Low | 56.2 | Low | 55 Ų | 55 | 52.6 Ų | 52.6 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -84.1 | -33.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1223 I1224 G1229 F1399 | Q1223-A1227 WeakPolarHBondContact O-CB 3.22Å; Q1223-A1227 PolarHBondContact O-N 2.72Å; I1224-A1227 WeakPolarHBondContact O-CA 3.22Å; I1224-A1227 WeakPolarHBondContact O-CB 3.38Å; I1224-A1227 PolarHBondContact O-N 3.48Å; A1227-G1229 PolarHBondContact O-N 3.09Å; A1227-F1399 HydrophobicContact CB-CE1 4.19Å; A1227-F1399 HydrophobicContact CB-CZ 4.46Å |
| 1228 | V | 62.4 | Low | 54.1 | Low | 23 Ų | 23 | 56.6 Ų | 56.6 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -1.6 | 172.1 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | I1224 L1230 H1377 F1399 I1403 | I1224-V1228 HydrophobicContact CG2-CG2 4.33Å; I1224-V1228 WeakPolarHBondContact O-CG2 3.46Å; I1224-V1228 PolarHBondContact O-N 3.46Å; V1228-L1230 VanDerWaalsContact C-N 3.31Å; V1228-L1230 HydrophobicContact CB-CD1 4.38Å; V1228-L1230 HydrophobicContact CG1-CD1 3.86Å; V1228-L1230 HydrophobicContact CG1-CG 4.25Å; V1228-L1230 PolarHBondContact O-N 2.87Å; V1228-H1377 VanDerWaalsContact CG1-CD2 3.45Å; V1228-H1377 WeakPolarHBondContact CG1-CD2 3.47Å; V1228-F1399 HydrophobicContact CG2-CE1 4.38Å; V1228-I1403 HydrophobicContact CG2-CD1 4.28Å |
| 1229 | G | 55.7 | Low | 52.1 | Low | 61 Ų | 61 | 59 Ų | 59 | 63% | 0.629 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 2.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1225 A1227 I1231 | L1225-G1229 PolarHBondContact O-N 3.04Å; A1227-G1229 PolarHBondContact O-N 3.09Å; G1229-I1231 PolarHBondContact O-N 3.2Å; G1229-I1231 VanDerWaalsContact O-N 3.16Å |
| 1230 | L | 57.4 | Low | 50.3 | Low | 71 Ų | 71 | 58.1 Ų | 58.1 | 37% | 0.372 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -69.9 | -6.1 | -179.6 | -72 | 161.9 | 0 | 0 | 0 | 114 | L1225 V1228 L1374 H1377 | L1225-L1230 HydrophobicContact CD2-CB 4.13Å; L1225-L1230 HydrophobicContact CD2-CD1 3.67Å; L1225-L1230 PolarHBondContact O-N 3.46Å; V1228-L1230 VanDerWaalsContact C-N 3.31Å; V1228-L1230 HydrophobicContact CB-CD1 4.38Å; V1228-L1230 HydrophobicContact CG1-CD1 3.86Å; V1228-L1230 HydrophobicContact CG1-CG 4.25Å; V1228-L1230 PolarHBondContact O-N 2.87Å; L1230-L1374 HydrophobicContact CD1-CD2 4.08Å; L1230-H1377 HydrophobicContact CD1-CB 4.01Å; L1230-H1377 HydrophobicContact CD2-CB 4.09Å |
| 1231 | I | 51.6 | Low | 48.2 | Very low | 33 Ų | 33 | 60.1 Ų | 60.1 | 17% | 0.169 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -139.2 | 128.9 | 178.7 | -55 | -178.6 | 0 | 0 | 0 | 110.8 | Y1222 L1225 G1229 I1233 | Y1222-I1231 HydrophobicContact CD2-CD1 3.66Å; Y1222-I1231 HydrophobicContact CE2-CD1 3.49Å; Y1222-I1231 VanDerWaalsContact CE2-CD1 3.49Å; Y1222-I1231 HydrophobicContact CE2-CG2 4.35Å; Y1222-I1231 HydrophobicContact CG-CD1 4.27Å; L1225-I1231 HydrophobicContact CB-CD1 3.67Å; L1225-I1231 HydrophobicContact CB-CG1 4.03Å; L1225-I1231 HydrophobicContact CD1-CD1 4.1Å; G1229-I1231 PolarHBondContact O-N 3.2Å; G1229-I1231 VanDerWaalsContact O-N 3.16Å; I1231-I1233 PolarHBondContact O-N 2.96Å |
| 1232 | P | 37.7 | Very low | 46.2 | Very low | 96 Ų | 96 | 65.5 Ų | 65.5 | 62% | 0.623 | 39% | 0.391 | S | S | * | . | trans | -74.5 | 122.1 | -179.3 | 28.4 | -34.2 | 0 | 0 | 0 | 113.2 | S1234 | P1232-S1234 PolarHBondContact O-N 3.38Š| ||
| 1233 | I | 35.2 | Very low | 44.2 | Very low | 117 Ų | 117 | 66.4 Ų | 66.4 | 60% | 0.6 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -59.2 | -22.7 | -173.6 | -63 | 167 | 0 | 0 | 0 | 114.1 | I1231 K1235 I1236 | I1231-I1233 PolarHBondContact O-N 2.96Å; I1233-K1235 VanDerWaalsContact C-N 3.3Å; I1233-K1235 PolarHBondContact O-N 2.91Å; I1233-K1235 VanDerWaalsContact O-N 3.14Å; I1233-I1236 PolarHBondContact O-N 3.47Å; I1233-I1236 VanDerWaalsContact O-N 3.15Å |
| 1234 | S | 32.7 | Very low | 42.4 | Very low | 88 Ų | 88 | 68.5 Ų | 68.5 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -57.9 | -33.1 | -168.5 | 56.5 | 0 | 0 | 0 | 0 | 115 | P1232 S1237 | P1232-S1234 PolarHBondContact O-N 3.38Å; S1234-S1237 PolarHBondContact O-OG 3.27Å |
| 1235 | K | 30.3 | Very low | 40.3 | Very low | 122 Ų | 122 | 75 Ų | 75 | 53% | 0.53 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -83.1 | -13.9 | -178.6 | -72.3 | -174.2 | 177 | 179.5 | 0 | 115.2 | I1233 S1237 S1238 | I1233-K1235 VanDerWaalsContact C-N 3.3Å; I1233-K1235 PolarHBondContact O-N 2.91Å; I1233-K1235 VanDerWaalsContact O-N 3.14Å; K1235-S1237 PolarHBondContact O-N 2.74Å; K1235-S1238 PolarHBondContact O-N 3.26Å; K1235-S1238 PolarHBondContact O-OG 2.83Å |
| 1236 | I | 33 | Very low | 38.4 | Very low | 57 Ų | 57 | 81.1 Ų | 81.1 | 29% | 0.292 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.2 | -24.5 | 176.1 | -57.3 | 174.3 | 0 | 0 | 0 | 110.4 | Y1222 I1233 S1238 A1240 | Y1222-I1236 HydrophobicContact CE1-CD1 4.15Å; Y1222-I1236 HydrophobicContact CE1-CG1 4.44Å; I1233-I1236 PolarHBondContact O-N 3.47Å; I1233-I1236 VanDerWaalsContact O-N 3.15Å; I1236-S1238 VanDerWaalsContact C-N 3.3Å; I1236-S1238 PolarHBondContact O-N 3.27Å; I1236-A1240 HydrophobicContact CG2-CB 4.04Å; I1236-A1240 WeakPolarHBondContact O-CB 3.45Å; I1236-A1240 PolarHBondContact O-N 3.28Å |
| 1237 | S | 29.7 | Very low | 36.6 | Very low | 76 Ų | 76 | 85.4 Ų | 85.4 | 53% | 0.531 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.3 | -10 | -177 | 71.7 | 0 | 0 | 0 | 0 | 116.1 | S1234 K1235 N1241 | S1234-S1237 PolarHBondContact O-OG 3.27Å; K1235-S1237 PolarHBondContact O-N 2.74Å; S1237-N1241 WeakPolarHBondContact O-CB 3.47Å; S1237-N1241 PolarHBondContact O-ND2 3.49Å |
| 1238 | S | 31.2 | Very low | 34.9 | Very low | 86 Ų | 86 | 87 Ų | 87 | 60% | 0.601 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -99 | -41.5 | 175.4 | 55.8 | 0 | 0 | 0 | 0 | 113 | K1235 I1236 | K1235-S1238 PolarHBondContact O-N 3.26Å; K1235-S1238 PolarHBondContact O-OG 2.83Å; I1236-S1238 VanDerWaalsContact C-N 3.3Å; I1236-S1238 PolarHBondContact O-N 3.27Å |
| 1239 | S | 28.9 | Very low | 33.1 | Very low | 73 Ų | 73 | 93.3 Ų | 93.3 | 51% | 0.51 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -78.8 | -43.1 | 178.5 | 51.7 | 0 | 0 | 0 | 0 | 112.8 | N1241 | S1239-N1241 VanDerWaalsContact C-N 3.32Å; S1239-N1241 PolarHBondContact O-N 3.38Å |
| 1240 | A | 30.6 | Very low | 31.6 | Very low | 49 Ų | 49 | 95.6 Ų | 95.6 | 41% | 0.405 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71 | -25.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1236 F1243 | I1236-A1240 HydrophobicContact CG2-CB 4.04Å; I1236-A1240 WeakPolarHBondContact O-CB 3.45Å; I1236-A1240 PolarHBondContact O-N 3.28Å; A1240-F1243 PolarHBondContact O-N 3.47Å |
| 1241 | N | 28.6 | Very low | 30.2 | Very low | 51 Ų | 51 | 97.2 Ų | 97.2 | 27% | 0.273 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -76.7 | -20.8 | -178.7 | -92.9 | -50.9 | 0 | 0 | 0 | 114.2 | S1237 S1239 F1243 V1244 R1245 | S1237-N1241 WeakPolarHBondContact O-CB 3.47Å; S1237-N1241 PolarHBondContact O-ND2 3.49Å; S1239-N1241 VanDerWaalsContact C-N 3.32Å; S1239-N1241 PolarHBondContact O-N 3.38Å; N1241-F1243 PolarHBondContact O-N 2.93Å; N1241-V1244 PolarHBondContact O-N 3.11Å; N1241-V1244 VanDerWaalsContact O-N 3.13Å; N1241-R1245 PolarHBondContact O-N 2.94Å; N1241-R1245 WeakPolarHBondContact OD1-CD 3.26Å; N1241-R1245 PolarHBondContact OD1-NE 2.73Å |
| 1242 | Q | 29.5 | Very low | 28.9 | Very low | 115 Ų | 115 | 100.9 Ų | 100.9 | 54% | 0.537 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.6 | -29.2 | 170.1 | -77.4 | -174.6 | -22.1 | 0 | 0 | 111.8 | V1244 | Q1242-V1244 VanDerWaalsContact C-N 3.31Å; Q1242-V1244 PolarHBondContact O-N 2.79Å |
| 1243 | F | 26.9 | Very low | 28.3 | Very low | 124 Ų | 124 | 103 Ų | 103 | 54% | 0.544 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.7 | -12.4 | 175.2 | -104.6 | -96.4 | 0 | 0 | 0 | 114.9 | R1066 A1240 N1241 | R1066-F1243 HydrophobicContact CG-CE2 4.17Å; R1066-F1243 HydrophobicContact CG-CZ 3.64Å; A1240-F1243 PolarHBondContact O-N 3.47Å; N1241-F1243 PolarHBondContact O-N 2.93Å |
| 1244 | V | 29.3 | Very low | 28 | Very low | 101 Ų | 101 | 108.8 Ų | 108.8 | 61% | 0.612 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | -26.3 | -167.3 | -176.1 | 0 | 0 | 0 | 0 | 114.5 | N1241 Q1242 | N1241-V1244 PolarHBondContact O-N 3.11Å; N1241-V1244 VanDerWaalsContact O-N 3.13Å; Q1242-V1244 VanDerWaalsContact C-N 3.31Å; Q1242-V1244 PolarHBondContact O-N 2.79Å |
| 1245 | R | 25.3 | Very low | 27.6 | Very low | 140 Ų | 140 | 113.7 Ų | 113.7 | 53% | 0.528 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -111.1 | 34.2 | -168.2 | -69.2 | -169.3 | 175.8 | -165.4 | -2.1 | 117.1 | N1241 T1285 | N1241-R1245 PolarHBondContact O-N 2.94Å; N1241-R1245 WeakPolarHBondContact OD1-CD 3.26Å; N1241-R1245 PolarHBondContact OD1-NE 2.73Å; R1245-T1285 PolarHBondContact NH2-OG1 3.31Å |
| 1246 | Q | 25.5 | Very low | 27.4 | Very low | 142 Ų | 142 | 113.8 Ų | 113.8 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -112.4 | 13.9 | 164.9 | -73.2 | -162.8 | 13.7 | 0 | 0 | 114.8 | ||
| 1247 | T | 26.3 | Very low | 27 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 69% | 0.693 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -117.2 | 59.9 | 171.1 | 52.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1248 | S | 25.1 | Very low | 26.8 | Very low | 90 Ų | 90 | 119.6 Ų | 119.6 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -163.5 | 162.6 | 163.2 | 47.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1249 | N | 25.4 | Very low | 26.5 | Very low | 154 Ų | 154 | 120.4 Ų | 120.4 | 82% | 0.824 | 67% | 0.667 | S | S | * | * | trans | 69 | 45.1 | 173.6 | -59.2 | -8.4 | 0 | 0 | 0 | 117.7 | ||||
| 1250 | A | 24.6 | Very low | 26.4 | Very low | 109 Ų | 109 | 126 Ų | 126 | 90% | 0.901 | 68% | 0.683 | S | S | * | * | trans | -107.9 | 42.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1251 | S | 26.2 | Very low | 26.1 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 70% | 0.699 | S | S | * | * | trans | -143.1 | 86.1 | 179.1 | 47 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1252 | S | 26 | Very low | 26 | Very low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | -77.7 | 136.9 | 169.6 | 56.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1253 | N | 25.2 | Very low | 25.9 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | 54.9 | 94 | 158.7 | -59.9 | -24.5 | 0 | 0 | 0 | 119.2 | ||||
| 1254 | R | 27.4 | Very low | 25.9 | Very low | 237 Ų | 237 | 130.6 Ų | 130.6 | 89% | 0.894 | 73% | 0.734 | S | S | * | * | 163.1 | 106.1 | 129.3 | -84.5 | 148.7 | -162.7 | -149.9 | 3.3 | 108.2 | |||||
| 1255 | K | 24.6 | Very low | 25.7 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 83% | 0.83 | 75% | 0.746 | S | S | * | * | 75.9 | 123.7 | 82.9 | -84.5 | -165.1 | 173.5 | -173 | 0 | 114.7 | |||||
| 1256 | T | 26.2 | Very low | 25.9 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 77% | 0.767 | 75% | 0.752 | S | S | * | * | trans | 74.4 | 147.2 | 148.2 | 47.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1257 | S | 25.2 | Very low | 25.8 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | 69.8 | 118.4 | 173.8 | 12.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1258 | L | 25.6 | Very low | 25.8 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | 74 | 136.4 | 54.4 | -59.7 | 162.2 | 0 | 0 | 0 | 111.3 | |||||
| 1259 | T | 24.8 | Very low | 25.9 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | cis | -164.8 | 165.1 | 11.4 | -6.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1260 | K | 25.5 | Very low | 25.8 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | 68.2 | 153.2 | 158 | -64.5 | 158.1 | -174.7 | 178.6 | 0 | 115.1 | ||||
| 1261 | S | 25.5 | Very low | 25.9 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | cis | -165.9 | 159.8 | -4.9 | 32.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1262 | S | 26.6 | Very low | 25.8 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | cis | -171.1 | 157.5 | 3.4 | 33.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1263 | T | 26.2 | Very low | 25.9 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | 57.8 | 136.9 | 146.9 | 53.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1264 | T | 26.7 | Very low | 25.9 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | cis | -165.2 | -177.3 | 6.4 | 6.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1265 | Y | 26.6 | Very low | 25.9 | Very low | 218 Ų | 218 | 137.8 Ų | 137.8 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | cis | -140.1 | -89.2 | 4.8 | -139.4 | -46.4 | 0 | 0 | 0 | 114.2 | ||||
| 1266 | A | 28.4 | Very low | 26.1 | Very low | 79 Ų | 79 | 133.9 Ų | 133.9 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | trans | -153.7 | 156 | -161.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1267 | R | 24.5 | Very low | 26.1 | Very low | 225 Ų | 225 | 131 Ų | 131 | 85% | 0.849 | 74% | 0.739 | S | S | * | * | cis | 98.3 | 147.4 | 6 | -157.4 | -169 | -152.1 | -165.3 | 8.2 | 116.1 | ||||
| 1268 | Q | 25.9 | Very low | 26.1 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 80.4 | 146.3 | 177.1 | -53.4 | 173.5 | -42.2 | 0 | 0 | 113.9 | ||||
| 1269 | T | 27.8 | Very low | 26.2 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 76% | 0.761 | 74% | 0.741 | S | S | * | * | cis | -121.6 | 149.2 | 4.8 | 44.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1270 | L | 23.1 | Very low | 26.2 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | 57.6 | 139.5 | 74.2 | -89.9 | 79.7 | 0 | 0 | 0 | 114.1 | |||||
| 1271 | S | 25.7 | Very low | 26.3 | Very low | 83 Ų | 83 | 130.6 Ų | 130.6 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | cis | -173.1 | 161.1 | 5.6 | 47.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1272 | N | 24.6 | Very low | 26.3 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 69.6 | 156 | 154.6 | -60 | -10.1 | 0 | 0 | 0 | 117.9 | ||||
| 1273 | T | 27.5 | Very low | 26.2 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | cis | -142.1 | 149.4 | 5.1 | 40 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1274 | N | 25.6 | Very low | 26.1 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | 57 | 141 | 140.6 | -55.6 | -2.1 | 0 | 0 | 0 | 120 | ||||
| 1275 | N | 28 | Very low | 26 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | cis | -147.8 | 165 | 15.9 | -114.5 | -12.6 | 0 | 0 | 0 | 113.9 | ||||
| 1276 | S | 28.1 | Very low | 25.9 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | -30.6 | 155.2 | 171.7 | 53.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1277 | G | 25.6 | Very low | 25.7 | Very low | 64 Ų | 64 | 130.5 Ų | 130.5 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | cis | 156.1 | 168.3 | -3.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1278 | L | 25.3 | Very low | 25.9 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 90% | 0.901 | 75% | 0.751 | S | S | * | * | trans | 74.6 | 139.1 | -176.7 | -75.6 | 68.5 | 0 | 0 | 0 | 115.5 | ||||
| 1279 | S | 27.5 | Very low | 26.1 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | cis | -175.8 | 148.4 | -9.9 | 48.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1280 | T | 25.8 | Very low | 26.7 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | cis | -166.7 | -168.3 | -6.9 | 20.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1281 | L | 27.1 | Very low | 27.8 | Very low | 149 Ų | 149 | 124 Ų | 124 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | 75.1 | 77 | 169.9 | -59.4 | 170.7 | 0 | 0 | 0 | 115.6 | ||||
| 1282 | N | 25.8 | Very low | 29 | Very low | 141 Ų | 141 | 123.8 Ų | 123.8 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | 59.6 | 95.2 | 83.4 | -64.7 | -3.1 | 0 | 0 | 0 | 113.3 | |||||
| 1283 | S | 24.1 | Very low | 30.4 | Very low | 93 Ų | 93 | 125.8 Ų | 125.8 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | 87.1 | 104.2 | 69.4 | 70.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1284 | N | 23.9 | Very low | 31.8 | Very low | 155 Ų | 155 | 121.6 Ų | 121.6 | 83% | 0.829 | 69% | 0.694 | S | S | * | * | trans | 166.4 | 92.1 | 141.8 | -88 | -23.9 | 0 | 0 | 0 | 112.8 | ||||
| 1285 | T | 25.6 | Very low | 33.3 | Very low | 120 Ų | 120 | 115 Ų | 115 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | trans | -179.8 | 121.6 | 130.3 | 30.5 | 0 | 0 | 0 | 0 | 108.7 | R1245 | R1245-T1285 PolarHBondContact NH2-OG1 3.31Š| ||
| 1286 | S | 24.8 | Very low | 34.8 | Very low | 113 Ų | 113 | 109.6 Ų | 109.6 | 79% | 0.79 | 63% | 0.629 | S | S | * | * | trans | -87 | -179.1 | 175.1 | 46.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1287 | S | 24.3 | Very low | 36.4 | Very low | 108 Ų | 108 | 107 Ų | 107 | 76% | 0.755 | 61% | 0.609 | S | S | * | * | trans | 65.7 | 82.3 | 169.4 | 71.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1288 | I | 27.1 | Very low | 38 | Very low | 155 Ų | 155 | 104.1 Ų | 104.1 | 80% | 0.795 | 58% | 0.579 | S | S | * | * | -132.5 | 102 | 127 | -54.1 | -179.4 | 0 | 0 | 0 | 107.3 | I1290 | I1288-I1290 HydrophobicContact CG2-CG1 3.76Å; I1288-I1290 PolarHBondContact O-N 3.34Å | |||
| 1289 | Q | 30.2 | Very low | 40 | Very low | 198 Ų | 198 | 96 Ų | 96 | 93% | 0.925 | 54% | 0.536 | S | S | * | . | trans | -80.1 | 100.1 | 162.2 | -79.6 | -178.5 | -58.5 | 0 | 0 | 107.2 | N1291 | Q1289-N1291 PolarHBondContact O-N 3.47Š| ||
| 1290 | I | 41.2 | Very low | 41.8 | Very low | 89 Ų | 89 | 94.4 Ų | 94.4 | 46% | 0.456 | 53% | 0.525 | S | S | . | . | trans | -71.1 | 110.8 | 170.2 | -55.6 | 179.1 | 0 | 0 | 0 | 106.5 | I1288 T1292 L1295 | I1288-I1290 HydrophobicContact CG2-CG1 3.76Å; I1288-I1290 PolarHBondContact O-N 3.34Å; I1290-T1292 PolarHBondContact O-N 3.36Å; I1290-L1295 HydrophobicContact CG2-CD1 3.54Å; I1290-L1295 HydrophobicContact CG2-CG 4.22Å | ||
| 1291 | N | 47 | Very low | 43.7 | Very low | 90 Ų | 90 | 88.9 Ų | 88.9 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | trans | -71.9 | 101.3 | -179.9 | -174.4 | 4.1 | 0 | 0 | 0 | 108.6 | Q1289 R1293 T1294 L1295 | Q1289-N1291 PolarHBondContact O-N 3.47Å; N1291-R1293 PolarHBondContact O-N 2.72Å; N1291-T1294 PolarHBondContact O-N 3.34Å; N1291-T1294 PolarHBondContact O-OG1 3.46Å; N1291-L1295 PolarHBondContact O-N 3.29Å | ||
| 1292 | T | 50.7 | Low | 45.7 | Very low | 78 Ų | 78 | 82.3 Ų | 82.3 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -53.6 | -29.9 | -176.5 | 50.2 | 0 | 0 | 0 | 0 | 112.5 | I1290 L1295 L1296 | I1290-T1292 PolarHBondContact O-N 3.36Å; T1292-L1295 WeakPolarHBondContact O-CB 3.45Å; T1292-L1295 PolarHBondContact O-N 3.1Å; T1292-L1296 WeakPolarHBondContact O-CB 3.4Å; T1292-L1296 PolarHBondContact O-N 3.01Å |
| 1293 | R | 54 | Low | 47.6 | Very low | 195 Ų | 195 | 77 Ų | 77 | 74% | 0.736 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -67.7 | -35.5 | 177.7 | -151.3 | 173.1 | -163.8 | 156.9 | 7.2 | 113.8 | N1291 T1297 | N1291-R1293 PolarHBondContact O-N 2.72Å; R1293-T1297 PolarHBondContact O-N 3.01Å; R1293-T1297 VanDerWaalsContact O-N 3.1Å; R1293-T1297 PolarHBondContact O-OG1 3.04Å |
| 1294 | T | 55.8 | Low | 49.5 | Very low | 21 Ų | 21 | 76.8 Ų | 76.8 | 13% | 0.129 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -78.1 | -29 | 176 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | N1291 T1297 A1298 | N1291-T1294 PolarHBondContact O-N 3.34Å; N1291-T1294 PolarHBondContact O-OG1 3.46Å; T1294-T1297 WeakPolarHBondContact CA-OG1 3.48Å; T1294-T1297 PolarHBondContact O-OG1 3.26Å; T1294-A1298 WeakPolarHBondContact O-CB 3.19Å; T1294-A1298 PolarHBondContact O-N 3.09Å; T1294-A1298 VanDerWaalsContact O-N 3.15Å |
| 1295 | L | 58.2 | Low | 51.6 | Low | 2 Ų | 2 | 69.8 Ų | 69.8 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 166.4 | -93.1 | 174.6 | 0 | 0 | 0 | 111.6 | I1220 Q1223 I1290 N1291 T1292 T1297 A1298 F1299 | I1220-L1295 HydrophobicContact CG2-CD2 4.3Å; Q1223-L1295 HydrophobicContact CB-CD1 4.07Å; Q1223-L1295 HydrophobicContact CB-CD2 3.81Å; I1290-L1295 HydrophobicContact CG2-CD1 3.54Å; I1290-L1295 HydrophobicContact CG2-CG 4.22Å; N1291-L1295 PolarHBondContact O-N 3.29Å; T1292-L1295 WeakPolarHBondContact O-CB 3.45Å; T1292-L1295 PolarHBondContact O-N 3.1Å; L1295-T1297 PolarHBondContact O-N 2.82Å; L1295-A1298 PolarHBondContact O-N 3.29Å; L1295-F1299 WeakPolarHBondContact O-CB 3.43Å; L1295-F1299 PolarHBondContact O-N 2.8Å |
| 1296 | L | 59.5 | Low | 53.3 | Low | 28 Ų | 28 | 64.3 Ų | 64.3 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 179.8 | -169 | 75 | 0 | 0 | 0 | 111.9 | T1292 A1298 F1299 S1300 F1399 E1402 I1403 I1406 | T1292-L1296 WeakPolarHBondContact O-CB 3.4Å; T1292-L1296 PolarHBondContact O-N 3.01Å; L1296-A1298 VanDerWaalsContact C-N 3.32Å; L1296-A1298 PolarHBondContact O-N 2.89Å; L1296-F1299 PolarHBondContact O-N 3.44Å; L1296-S1300 PolarHBondContact O-N 3.35Å; L1296-S1300 PolarHBondContact O-OG 2.94Å; L1296-F1399 HydrophobicContact CD1-CD2 4.45Å; L1296-F1399 HydrophobicContact CD1-CE2 4.32Å; L1296-E1402 HydrophobicContact CD1-CB 4.24Å; L1296-E1402 WeakPolarHBondContact CD2-OE2 3.45Å; L1296-I1403 HydrophobicContact CD1-CG1 4.42Å; L1296-I1406 HydrophobicContact CD1-CD1 4.2Å |
| 1297 | T | 60.1 | Low | 55.1 | Low | 57 Ų | 57 | 61.6 Ų | 61.6 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.4 | -29.7 | 175.9 | 49.9 | 0 | 0 | 0 | 0 | 113.8 | R1293 T1294 L1295 S1300 C1301 | R1293-T1297 PolarHBondContact O-N 3.01Å; R1293-T1297 VanDerWaalsContact O-N 3.1Å; R1293-T1297 PolarHBondContact O-OG1 3.04Å; T1294-T1297 WeakPolarHBondContact CA-OG1 3.48Å; T1294-T1297 PolarHBondContact O-OG1 3.26Å; L1295-T1297 PolarHBondContact O-N 2.82Å; T1297-S1300 PolarHBondContact O-OG 3.36Å; T1297-C1301 PolarHBondContact O-SG 3.09Å; T1297-C1301 VanDerWaalsContact O-SG 3.4Å |
| 1298 | A | 59.8 | Low | 56.7 | Low | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.6 | -33.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1145 I1220 T1294 L1295 L1296 | L1145-A1298 HydrophobicContact CD2-CB 4.36Å; I1220-A1298 HydrophobicContact CD1-CB 4Å; T1294-A1298 WeakPolarHBondContact O-CB 3.19Å; T1294-A1298 PolarHBondContact O-N 3.09Å; T1294-A1298 VanDerWaalsContact O-N 3.15Å; L1295-A1298 PolarHBondContact O-N 3.29Å; L1296-A1298 VanDerWaalsContact C-N 3.32Å; L1296-A1298 PolarHBondContact O-N 2.89Å |
| 1299 | F | 67.8 | Low | 58.4 | Low | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73.8 | -39.6 | 176.3 | -169.4 | -116.4 | 0 | 0 | 0 | 112.9 | I1224 L1295 L1296 C1301 L1302 F1370 I1403 I1406 V1407 | I1224-F1299 HydrophobicContact CD1-CB 3.72Å; I1224-F1299 HydrophobicContact CD1-CD1 4.2Å; I1224-F1299 HydrophobicContact CD1-CD2 3.22Å; I1224-F1299 HydrophobicContact CD1-CE2 3.86Å; I1224-F1299 HydrophobicContact CD1-CG 3.45Å; I1224-F1299 VanDerWaalsContact CD1-CG 3.45Å; L1295-F1299 WeakPolarHBondContact O-CB 3.43Å; L1295-F1299 PolarHBondContact O-N 2.8Å; L1296-F1299 PolarHBondContact O-N 3.44Å; F1299-C1301 PolarHBondContact O-N 3.01Å; F1299-C1301 VanDerWaalsContact O-N 3.09Å; F1299-L1302 HydrophobicContact CD2-CD1 3.51Å; F1299-L1302 HydrophobicContact CE2-CD1 3.61Å; F1299-L1302 WeakPolarHBondContact O-CB 3.47Å; F1299-L1302 PolarHBondContact O-N 2.82Å; F1299-F1370 AromaticContact CE2-CE1 3.57Å; F1299-F1370 HydrophobicContact CE2-CE1 3.57Å; F1299-F1370 AromaticContact CE2-CZ 3.61Å; F1299-F1370 HydrophobicContact CE2-CZ 3.61Å; F1299-F1370 AromaticContact CZ-CE1 3.68Å; F1299-F1370 HydrophobicContact CZ-CE1 3.68Å; F1299-F1370 AromaticContact CZ-CZ 3.87Å; F1299-F1370 HydrophobicContact CZ-CZ 3.87Å; F1299-I1403 HydrophobicContact CE1-CG1 4.44Å; F1299-I1403 HydrophobicContact CE1-CG2 4.09Å; F1299-I1403 HydrophobicContact CZ-CG2 4.49Å; F1299-I1406 HydrophobicContact CD1-CB 4.22Å; F1299-I1406 HydrophobicContact CD1-CD1 3.82Å; F1299-I1406 HydrophobicContact CD1-CG2 3.76Å; F1299-I1406 HydrophobicContact CE1-CB 3.79Å; F1299-I1406 HydrophobicContact CE1-CD1 4.23Å; F1299-I1406 HydrophobicContact CE1-CG2 3.39Å; F1299-I1406 HydrophobicContact CZ-CG2 4.05Å; F1299-V1407 HydrophobicContact CZ-CG2 4.44Å |
| 1300 | S | 65 | Low | 60 | Low | 60 Ų | 60 | 41 Ų | 41 | 42% | 0.42 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11.1 | 175.6 | 70.2 | 0 | 0 | 0 | 0 | 113.5 | L1296 T1297 | L1296-S1300 PolarHBondContact O-N 3.35Å; L1296-S1300 PolarHBondContact O-OG 2.94Å; T1297-S1300 PolarHBondContact O-OG 3.36Å |
| 1301 | C | 65.7 | Low | 61 | Low | 11 Ų | 11 | 38.1 Ų | 38.1 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78.6 | -13.7 | 168.3 | -71.9 | 0 | 0 | 0 | 0 | 113.7 | C1149 T1297 F1299 L1304 I1305 | C1149-C1301 VanDerWaalsContact SG-SG 3.65Å; T1297-C1301 PolarHBondContact O-SG 3.09Å; T1297-C1301 VanDerWaalsContact O-SG 3.4Å; F1299-C1301 PolarHBondContact O-N 3.01Å; F1299-C1301 VanDerWaalsContact O-N 3.09Å; C1301-L1304 CarbonylContact O-C 3.58Å; C1301-L1304 WeakPolarHBondContact O-CB 3.33Å; C1301-L1304 PolarHBondContact O-N 3.35Å; C1301-L1304 VanDerWaalsContact O-N 3.15Å; C1301-I1305 HydrophobicContact CB-CD1 4.21Å; C1301-I1305 VanDerWaalsContact O-CG1 3.27Å; C1301-I1305 WeakPolarHBondContact O-CG1 3.4Å; C1301-I1305 PolarHBondContact O-N 3.2Å |
| 1302 | L | 69.3 | Low | 61.9 | Low | 11 Ų | 11 | 33.9 Ų | 33.9 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.2 | -44.8 | 179.6 | -87.4 | 161.6 | 0 | 0 | 0 | 114 | I1217 F1299 L1304 I1305 S1306 L1316 I1410 | I1217-L1302 HydrophobicContact CD1-CD2 3.93Å; I1217-L1302 HydrophobicContact CG1-CD2 4.19Å; I1217-L1302 HydrophobicContact CG2-CD1 4.47Å; I1217-L1302 HydrophobicContact CG2-CD2 3.83Å; F1299-L1302 HydrophobicContact CD2-CD1 3.51Å; F1299-L1302 HydrophobicContact CE2-CD1 3.61Å; F1299-L1302 WeakPolarHBondContact O-CB 3.47Å; F1299-L1302 PolarHBondContact O-N 2.82Å; L1302-L1304 PolarHBondContact O-N 2.9Å; L1302-I1305 PolarHBondContact O-N 3.26Å; L1302-S1306 VanDerWaalsContact O-CB 3.25Å; L1302-S1306 WeakPolarHBondContact O-CB 3.42Å; L1302-S1306 PolarHBondContact O-N 3.18Å; L1302-L1316 HydrophobicContact CD2-CD1 4.32Å; L1302-I1410 HydrophobicContact CB-CD1 4.29Å |
| 1303 | P | 65.7 | Low | 62.7 | Low | 29 Ų | 29 | 32.6 Ų | 32.6 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.9 | -41.3 | 168.7 | -26.6 | 34.2 | 0 | 0 | 0 | 112.1 | S1306 S1307 I1406 I1410 | P1303-S1306 PolarHBondContact O-N 3.38Å; P1303-S1307 VanDerWaalsContact O-CB 3.23Å; P1303-S1307 WeakPolarHBondContact O-CB 3.36Å; P1303-S1307 PolarHBondContact O-N 3.18Å; P1303-S1307 PolarHBondContact O-OG 3.11Å; P1303-I1406 HydrophobicContact CG-CG2 4.17Å; P1303-I1410 HydrophobicContact CG-CD1 4.32Å; P1303-I1410 HydrophobicContact CG-CG1 3.97Å |
| 1304 | L | 64.7 | Low | 63.1 | Low | 89 Ų | 89 | 27.5 Ų | 27.5 | 47% | 0.466 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.9 | -33.6 | -179.5 | -152 | 76.2 | 0 | 0 | 0 | 113.5 | C1149 C1301 L1302 S1307 G1308 | C1149-L1304 HydrophobicContact CB-CD2 4.2Å; C1301-L1304 CarbonylContact O-C 3.58Å; C1301-L1304 WeakPolarHBondContact O-CB 3.33Å; C1301-L1304 PolarHBondContact O-N 3.35Å; C1301-L1304 VanDerWaalsContact O-N 3.15Å; L1302-L1304 PolarHBondContact O-N 2.9Å; L1304-S1307 WeakPolarHBondContact CA-OG 3.39Å; L1304-S1307 PolarHBondContact O-OG 3.25Å; L1304-G1308 WeakPolarHBondContact O-CA 3.22Å; L1304-G1308 PolarHBondContact O-N 3.2Å |
| 1305 | I | 66.2 | Low | 63.4 | Low | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -75.6 | -39.6 | 175.1 | -68.5 | 162.8 | 0 | 0 | 0 | 110.6 | P1154 I1217 C1301 L1302 C1309 I1312 | P1154-I1305 HydrophobicContact CG-CG1 4.13Å; I1217-I1305 HydrophobicContact CD1-CG2 4.47Å; C1301-I1305 HydrophobicContact CB-CD1 4.21Å; C1301-I1305 VanDerWaalsContact O-CG1 3.27Å; C1301-I1305 WeakPolarHBondContact O-CG1 3.4Å; C1301-I1305 PolarHBondContact O-N 3.2Å; L1302-I1305 PolarHBondContact O-N 3.26Å; I1305-C1309 PolarHBondContact O-N 3.16Å; I1305-C1309 VanDerWaalsContact O-N 3.1Å; I1305-I1312 HydrophobicContact CG2-CG2 3.73Å |
| 1306 | S | 62.8 | Low | 63.7 | Low | 5 Ų | 5 | 29.2 Ų | 29.2 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65 | -59.7 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | L1302 P1303 G1308 R1313 | L1302-S1306 VanDerWaalsContact O-CB 3.25Å; L1302-S1306 WeakPolarHBondContact O-CB 3.42Å; L1302-S1306 PolarHBondContact O-N 3.18Å; P1303-S1306 PolarHBondContact O-N 3.38Å; S1306-G1308 VanDerWaalsContact C-N 3.31Å; S1306-G1308 PolarHBondContact O-N 3.44Å; S1306-R1313 VanDerWaalsContact O-CZ 3.24Å; S1306-R1313 PolarHBondContact O-NE 3.17Å; S1306-R1313 PolarHBondContact O-NH2 3.33Å |
| 1307 | S | 61.6 | Low | 63.8 | Low | 57 Ų | 57 | 28.1 Ų | 28.1 | 40% | 0.399 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 177 | 59.3 | 0 | 0 | 0 | 0 | 111.8 | P1303 L1304 R1313 | P1303-S1307 VanDerWaalsContact O-CB 3.23Å; P1303-S1307 WeakPolarHBondContact O-CB 3.36Å; P1303-S1307 PolarHBondContact O-N 3.18Å; P1303-S1307 PolarHBondContact O-OG 3.11Å; L1304-S1307 WeakPolarHBondContact CA-OG 3.39Å; L1304-S1307 PolarHBondContact O-OG 3.25Å; S1307-R1313 VanDerWaalsContact C-NH2 3.33Å; S1307-R1313 VanDerWaalsContact CA-NH2 3.32Å; S1307-R1313 PolarHBondContact O-NH2 3.16Å |
| 1308 | G | 58.1 | Low | 63.7 | Low | 14 Ų | 14 | 28.3 Ų | 28.3 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -78.1 | -22.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | E1158 L1304 S1306 | E1158-G1308 WeakPolarHBondContact CB-O 3.44Å; L1304-G1308 WeakPolarHBondContact O-CA 3.22Å; L1304-G1308 PolarHBondContact O-N 3.2Å; S1306-G1308 VanDerWaalsContact C-N 3.31Å; S1306-G1308 PolarHBondContact O-N 3.44Å |
| 1309 | C | 62 | Low | 63.2 | Low | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -139.9 | 89.9 | -169.1 | -171.7 | 0 | 0 | 0 | 0 | 115.4 | E1158 I1305 I1312 R1313 | E1158-C1309 HydrophobicContact CB-CB 4.22Å; I1305-C1309 PolarHBondContact O-N 3.16Å; I1305-C1309 VanDerWaalsContact O-N 3.1Å; C1309-I1312 HydrophobicContact CB-CB 4.19Å; C1309-I1312 HydrophobicContact CB-CD1 4.41Å; C1309-I1312 PolarHBondContact O-N 3.33Å; C1309-R1313 PolarHBondContact O-N 3.11Å | ||
| 1310 | G | 64.8 | Low | 61.9 | Low | 14 Ų | 14 | 36 Ų | 36 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -48.7 | -41.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | E1158 R1313 L1314 | E1158-G1310 PolarHBondContact OE1-N 3.2Å; G1310-R1313 WeakPolarHBondContact O-CB 3.49Å; G1310-L1314 WeakPolarHBondContact O-CG 3.45Å; G1310-L1314 PolarHBondContact O-N 3.5Å |
| 1311 | P | 62.6 | Low | 60.3 | Low | 28 Ų | 28 | 40 Ų | 40 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.1 | -27.7 | 177.4 | -17.7 | 32 | 0 | 0 | 0 | 114.3 | L1161 K1315 | L1161-P1311 HydrophobicContact CB-CG 3.9Å; L1161-P1311 HydrophobicContact CD1-CB 4.12Å; L1161-P1311 HydrophobicContact CD1-CG 4.07Å; L1161-P1311 HydrophobicContact CG-CG 4.49Å; P1311-K1315 PolarHBondContact O-N 2.7Å |
| 1312 | I | 65.6 | Low | 58.4 | Low | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -77.3 | -38.6 | 173 | -67.7 | 177.2 | 0 | 0 | 0 | 109.2 | L1157 L1161 A1209 L1212 V1213 I1305 C1309 L1314 K1315 L1316 | L1157-I1312 HydrophobicContact CD1-CD1 3.87Å; L1161-I1312 HydrophobicContact CD1-CG1 4.49Å; A1209-I1312 HydrophobicContact CB-CD1 3.95Å; A1209-I1312 HydrophobicContact CB-CG1 3.89Å; L1212-I1312 HydrophobicContact CD1-CD1 4.09Å; V1213-I1312 HydrophobicContact CG2-CG2 4.19Å; I1305-I1312 HydrophobicContact CG2-CG2 3.73Å; C1309-I1312 HydrophobicContact CB-CB 4.19Å; C1309-I1312 HydrophobicContact CB-CD1 4.41Å; C1309-I1312 PolarHBondContact O-N 3.33Å; I1312-L1314 VanDerWaalsContact C-N 3.29Å; I1312-L1314 PolarHBondContact O-N 3.08Å; I1312-K1315 PolarHBondContact O-N 3.33Å; I1312-L1316 HydrophobicContact CG2-CD1 3.69Å; I1312-L1316 HydrophobicContact CG2-CG 4.01Å; I1312-L1316 VanDerWaalsContact O-CB 3.3Å; I1312-L1316 WeakPolarHBondContact O-CB 3.38Å; I1312-L1316 VanDerWaalsContact O-CG 3.3Å; I1312-L1316 WeakPolarHBondContact O-CG 3.36Å; I1312-L1316 PolarHBondContact O-N 3.46Å |
| 1313 | R | 67.2 | Low | 56.3 | Low | 51 Ų | 51 | 55.3 Ų | 55.3 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -50.8 | -49.5 | 166 | -170.4 | -174 | -53.1 | 169.1 | 7.2 | 110.7 | S1306 S1307 C1309 G1310 L1316 F1317 | S1306-R1313 VanDerWaalsContact O-CZ 3.24Å; S1306-R1313 PolarHBondContact O-NE 3.17Å; S1306-R1313 PolarHBondContact O-NH2 3.33Å; S1307-R1313 VanDerWaalsContact C-NH2 3.33Å; S1307-R1313 VanDerWaalsContact CA-NH2 3.32Å; S1307-R1313 PolarHBondContact O-NH2 3.16Å; C1309-R1313 PolarHBondContact O-N 3.11Å; G1310-R1313 WeakPolarHBondContact O-CB 3.49Å; R1313-L1316 PolarHBondContact O-N 3.05Å; R1313-F1317 HydrophobicContact CG-CD2 3.62Å; R1313-F1317 HydrophobicContact CG-CE2 3.76Å; R1313-F1317 WeakPolarHBondContact O-CB 3.48Å; R1313-F1317 WeakPolarHBondContact O-CD2 3.34Å; R1313-F1317 PolarHBondContact O-N 3.41Å |
| 1314 | L | 62.6 | Low | 54.4 | Low | 89 Ų | 89 | 58.7 Ų | 58.7 | 47% | 0.466 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59 | -53.7 | 173.9 | -71.5 | 172.7 | 0 | 0 | 0 | 112 | G1310 I1312 L1316 F1317 Y1318 | G1310-L1314 WeakPolarHBondContact O-CG 3.45Å; G1310-L1314 PolarHBondContact O-N 3.5Å; I1312-L1314 VanDerWaalsContact C-N 3.29Å; I1312-L1314 PolarHBondContact O-N 3.08Å; L1314-L1316 VanDerWaalsContact C-N 3.31Å; L1314-L1316 PolarHBondContact O-N 3.07Å; L1314-F1317 PolarHBondContact O-N 3.13Å; L1314-Y1318 HydrophobicContact CD2-CD2 4Å; L1314-Y1318 HydrophobicContact CD2-CE2 3.61Å; L1314-Y1318 WeakPolarHBondContact O-CA 3.27Å; L1314-Y1318 VanDerWaalsContact O-CB 3.25Å; L1314-Y1318 WeakPolarHBondContact O-CB 3.49Å; L1314-Y1318 VanDerWaalsContact O-CD2 3.25Å; L1314-Y1318 WeakPolarHBondContact O-CD2 3.21Å; L1314-Y1318 PolarHBondContact O-N 3.49Å |
| 1315 | K | 61.9 | Low | 52.5 | Low | 56 Ų | 56 | 58 Ų | 58 | 24% | 0.243 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.6 | -28.7 | -178.9 | -75.2 | -157.7 | 173.3 | -162.4 | 0 | 114.8 | D1210 V1213 P1311 I1312 Y1318 | D1210-K1315 IonicContact OD1-NZ 2.9Å; D1210-K1315 PolarHBondContact OD1-NZ 3.07Å; D1210-K1315 IonicContact OD2-NZ 2.66Å; V1213-K1315 HydrophobicContact CB-CB 4.48Å; V1213-K1315 HydrophobicContact CG1-CB 4.04Å; V1213-K1315 HydrophobicContact CG2-CB 3.77Å; P1311-K1315 PolarHBondContact O-N 2.7Å; I1312-K1315 PolarHBondContact O-N 3.33Å; K1315-Y1318 CarbonylContact O-C 3.58Å |
| 1316 | L | 63.6 | Low | 50.6 | Low | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -78.5 | -35.2 | 177.5 | -74.7 | 176 | 0 | 0 | 0 | 113.8 | V1213 I1217 L1302 I1312 R1313 L1314 V1367 | V1213-L1316 HydrophobicContact CG1-CD2 4.47Å; V1213-L1316 HydrophobicContact CG2-CD2 4.13Å; V1213-L1316 HydrophobicContact CG2-CG 4.21Å; I1217-L1316 HydrophobicContact CB-CD2 4.27Å; I1217-L1316 HydrophobicContact CD1-CD1 3.88Å; I1217-L1316 HydrophobicContact CD1-CD2 3.89Å; I1217-L1316 HydrophobicContact CD1-CG 4.44Å; I1217-L1316 HydrophobicContact CG2-CD2 3.87Å; L1302-L1316 HydrophobicContact CD2-CD1 4.32Å; I1312-L1316 HydrophobicContact CG2-CD1 3.69Å; I1312-L1316 HydrophobicContact CG2-CG 4.01Å; I1312-L1316 VanDerWaalsContact O-CB 3.3Å; I1312-L1316 WeakPolarHBondContact O-CB 3.38Å; I1312-L1316 VanDerWaalsContact O-CG 3.3Å; I1312-L1316 WeakPolarHBondContact O-CG 3.36Å; I1312-L1316 PolarHBondContact O-N 3.46Å; R1313-L1316 PolarHBondContact O-N 3.05Å; L1314-L1316 VanDerWaalsContact C-N 3.31Å; L1314-L1316 PolarHBondContact O-N 3.07Å; L1316-V1367 HydrophobicContact CB-CG2 3.83Å; L1316-V1367 HydrophobicContact CD2-CG2 4.14Å; L1316-V1367 HydrophobicContact CG-CG2 4.41Å; L1316-V1367 PolarHBondContact O-N 3Å |
| 1317 | F | 63.3 | Low | 48.7 | Very low | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -92.5 | -13.4 | 177 | -66.9 | -61.9 | 0 | 0 | 0 | 113.2 | R1313 L1314 V1367 L1368 I1410 I1414 L1420 R1424 | R1313-F1317 HydrophobicContact CG-CD2 3.62Å; R1313-F1317 HydrophobicContact CG-CE2 3.76Å; R1313-F1317 WeakPolarHBondContact O-CB 3.48Å; R1313-F1317 WeakPolarHBondContact O-CD2 3.34Å; R1313-F1317 PolarHBondContact O-N 3.41Å; L1314-F1317 PolarHBondContact O-N 3.13Å; F1317-V1367 HydrophobicContact CD1-CB 3.92Å; F1317-V1367 HydrophobicContact CD1-CG1 4.27Å; F1317-V1367 HydrophobicContact CE1-CB 3.64Å; F1317-V1367 HydrophobicContact CE1-CG1 3.49Å; F1317-V1367 VanDerWaalsContact CE1-CG1 3.49Å; F1317-V1367 HydrophobicContact CZ-CB 4.4Å; F1317-V1367 HydrophobicContact CZ-CG1 4.05Å; F1317-L1368 HydrophobicContact CD1-CD2 3.56Å; F1317-L1368 HydrophobicContact CD1-CG 3.92Å; F1317-L1368 HydrophobicContact CE1-CD2 3.87Å; F1317-I1410 HydrophobicContact CZ-CG2 4.21Å; F1317-I1414 HydrophobicContact CD1-CD1 4.24Å; F1317-I1414 HydrophobicContact CE1-CD1 3.43Å; F1317-I1414 VanDerWaalsContact CE1-CD1 3.43Å; F1317-I1414 HydrophobicContact CE1-CG1 4.21Å; F1317-I1414 HydrophobicContact CE2-CD1 4.41Å; F1317-I1414 HydrophobicContact CE2-CG1 4.34Å; F1317-I1414 HydrophobicContact CZ-CD1 3.54Å; F1317-I1414 HydrophobicContact CZ-CG1 3.9Å; F1317-L1420 HydrophobicContact CD2-CD2 4.29Å; F1317-R1424 PolarHBondContact O-NE 3.28Å; F1317-R1424 PolarHBondContact O-NH2 3.33Å |
| 1318 | Y | 57.6 | Low | 47 | Very low | 61 Ų | 61 | 63.8 Ų | 63.8 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | trans | -134.6 | 72.3 | 177.9 | -53.3 | -117.7 | 0 | 0 | 0 | 110.2 | L1314 K1315 L1420 K1423 R1424 | L1314-Y1318 HydrophobicContact CD2-CD2 4Å; L1314-Y1318 HydrophobicContact CD2-CE2 3.61Å; L1314-Y1318 WeakPolarHBondContact O-CA 3.27Å; L1314-Y1318 VanDerWaalsContact O-CB 3.25Å; L1314-Y1318 WeakPolarHBondContact O-CB 3.49Å; L1314-Y1318 VanDerWaalsContact O-CD2 3.25Å; L1314-Y1318 WeakPolarHBondContact O-CD2 3.21Å; L1314-Y1318 PolarHBondContact O-N 3.49Å; K1315-Y1318 CarbonylContact O-C 3.58Å; Y1318-L1420 HydrophobicContact CE2-CD1 3.53Å; Y1318-K1423 HydrophobicContact CE1-CB 4.42Å; Y1318-K1423 WeakPolarHBondContact OH-CB 3.49Å; Y1318-R1424 HydrophobicContact CD1-CG 4.42Å; Y1318-R1424 HydrophobicContact CE1-CG 3.85Å; Y1318-R1424 HydrophobicContact CE2-CG 4.01Å | ||
| 1319 | P | 49.9 | Very low | 45.3 | Very low | 37 Ų | 37 | 69 Ų | 69 | 24% | 0.24 | 37% | 0.369 | C | S | . | . | trans | -61.3 | 148.9 | 162.7 | 27.2 | -33.3 | 0 | 0 | 0 | 110.4 | D1321 C1366 | P1319-D1321 PolarHBondContact O-N 2.93Å; P1319-C1366 HydrophobicContact CG-CB 3.7Å | ||
| 1320 | H | 39.4 | Very low | 43.4 | Very low | 129 Ų | 129 | 75.5 Ų | 75.5 | 60% | 0.597 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -72.9 | 117 | -176.6 | -76.9 | -135.4 | 0 | 0 | 0 | 111.8 | ||
| 1321 | D | 31 | Very low | 41.6 | Very low | 142 Ų | 142 | 82.4 Ų | 82.4 | 76% | 0.759 | 43% | 0.43 | S | S | * | . | trans | -162 | 93.5 | 143.5 | -105.4 | -34.6 | 0 | 0 | 0 | 109.9 | P1319 | P1319-D1321 PolarHBondContact O-N 2.93Š| ||
| 1322 | L | 25.6 | Very low | 39.7 | Very low | 157 Ų | 157 | 85.8 Ų | 85.8 | 82% | 0.822 | 44% | 0.443 | S | S | * | . | trans | -161.8 | 118.1 | 162.2 | -118.7 | 168.5 | 0 | 0 | 0 | 110.6 | ||||
| 1323 | K | 26.4 | Very low | 37.6 | Very low | 187 Ų | 187 | 91.1 Ų | 91.1 | 81% | 0.813 | 48% | 0.479 | S | S | * | . | trans | -123.7 | 152 | 167.4 | -75.4 | -178.1 | 175.5 | 178.8 | 0 | 108 | ||||
| 1324 | S | 25.7 | Very low | 35.5 | Very low | 100 Ų | 100 | 91 Ų | 91 | 70% | 0.699 | 48% | 0.481 | S | S | * | . | trans | 76.2 | 146.1 | -169.9 | -28.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1325 | S | 24.8 | Very low | 33.8 | Very low | 76 Ų | 76 | 89.4 Ų | 89.4 | 53% | 0.531 | 48% | 0.477 | S | S | . | . | cis | -149.3 | 177.3 | 20.6 | 71.5 | 0 | 0 | 0 | 0 | 113.3 | H331 N333 | H331-S1325 WeakPolarHBondContact O-CB 3.41Å; N333-S1325 VanDerWaalsContact N-C 3.3Å; N333-S1325 PolarHBondContact N-OG 3.15Å; N333-S1325 CarbonylContact O-C 3.58Å; N333-S1325 PolarHBondContact O-OG 3.49Å | ||
| 1326 | G | 25.9 | Very low | 31.9 | Very low | 32 Ų | 32 | 90.8 Ų | 90.8 | 33% | 0.33 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -144.6 | -25.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 125 | N333 E334 | N333-G1326 VanDerWaalsContact C-N 3.31Å; N333-G1326 CarbonylContact C-O 3.52Å; N333-G1326 VanDerWaalsContact N-CA 3.27Å; N333-G1326 WeakPolarHBondContact O-CA 3.27Å; N333-G1326 PolarHBondContact O-N 3.2Å; N333-G1326 VanDerWaalsContact O-N 3.07Å; E334-G1326 WeakPolarHBondContact CA-O 3.37Å; E334-G1326 VanDerWaalsContact CB-O 3.28Å; E334-G1326 WeakPolarHBondContact CB-O 3.33Å; E334-G1326 WeakPolarHBondContact CG-O 3.38Å |
| 1327 | E | 22.3 | Very low | 30 | Very low | 75 Ų | 75 | 96.3 Ų | 96.3 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -137.6 | 61.6 | 165 | -36 | 158.5 | -129.4 | 0 | 0 | 118.3 | K287 H331 Y332 | K287-E1327 VanDerWaalsContact NZ-CD 3.32Å; K287-E1327 IonicContact NZ-OE1 3.47Å; K287-E1327 PolarHBondContact NZ-OE1 2.89Å; K287-E1327 VanDerWaalsContact NZ-OE1 3.14Å; K287-E1327 IonicContact NZ-OE2 2.91Å; K287-E1327 PolarHBondContact NZ-OE2 3.15Å; H331-E1327 PolarHBondContact ND1-O 3.41Å; Y332-E1327 VanDerWaalsContact CB-CA 3.45Å; Y332-E1327 HydrophobicContact CD1-CB 4.05Å; Y332-E1327 HydrophobicContact CD1-CG 3.6Å; Y332-E1327 HydrophobicContact CE1-CG 4.03Å; Y332-E1327 WeakPolarHBondContact CE1-OE1 3.44Å; Y332-E1327 HydrophobicContact CG-CB 3.98Å; Y332-E1327 HydrophobicContact CG-CG 3.97Å; Y332-E1327 VanDerWaalsContact CZ-OE1 3.22Å; Y332-E1327 CarbonylContact O-C 3.56Å |
| 1328 | L | 26 | Very low | 28.2 | Very low | 84 Ų | 84 | 102.1 Ų | 102.1 | 44% | 0.44 | 56% | 0.556 | S | S | . | * | trans | -127.4 | 112.2 | 169.3 | -102.9 | 153.7 | 0 | 0 | 0 | 109.5 | H331 Y332 N333 N1330 | H331-L1328 HydrophobicContact CB-CB 4.39Å; H331-L1328 HydrophobicContact CB-CD1 3.41Å; H331-L1328 VanDerWaalsContact CB-CD1 3.41Å; H331-L1328 HydrophobicContact CB-CG 3.44Å; H331-L1328 VanDerWaalsContact CB-CG 3.44Å; Y332-L1328 VanDerWaalsContact O-CA 3.29Å; Y332-L1328 WeakPolarHBondContact O-CA 3.35Å; Y332-L1328 WeakPolarHBondContact O-CB 3.34Å; Y332-L1328 WeakPolarHBondContact O-CD1 3.14Å; Y332-L1328 VanDerWaalsContact O-CG 3.29Å; Y332-L1328 WeakPolarHBondContact O-CG 3.45Å; Y332-L1328 PolarHBondContact O-N 3.22Å; N333-L1328 HydrophobicContact CB-CB 4.13Å; N333-L1328 WeakPolarHBondContact CB-O 3.5Å; N333-L1328 VanDerWaalsContact CG-N 3.34Å; N333-L1328 VanDerWaalsContact N-N 3.18Å; N333-L1328 PolarHBondContact ND2-O 2.79Å; N333-L1328 WeakPolarHBondContact OD1-CA 3.43Å; N333-L1328 PolarHBondContact OD1-N 3.5Å; N333-L1328 PolarHBondContact OD1-O 2.92Å; L1328-N1330 PolarHBondContact O-N 3.15Å | ||
| 1329 | N | 23.2 | Very low | 26.5 | Very low | 123 Ų | 123 | 107.7 Ų | 107.7 | 66% | 0.658 | 59% | 0.589 | S | S | * | * | trans | -63.8 | 110.6 | 165 | -64.8 | -55.9 | 0 | 0 | 0 | 110 | ||||
| 1330 | N | 22.9 | Very low | 25.3 | Very low | 137 Ų | 137 | 110.7 Ų | 110.7 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 62 | 105.9 | 163.4 | -48.7 | -36.8 | 0 | 0 | 0 | 118.4 | L1328 | L1328-N1330 PolarHBondContact O-N 3.15Š|
| 1331 | K | 25.5 | Very low | 24.6 | Very low | 159 Ų | 159 | 109.2 Ų | 109.2 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | trans | -175.6 | 157.3 | 131.5 | -102.1 | 157.8 | -175 | -175.6 | 0 | 113.8 | ||||
| 1332 | E | 23.3 | Very low | 24.4 | Very low | 98 Ų | 98 | 108.7 Ų | 108.7 | 46% | 0.458 | 63% | 0.628 | S | S | . | * | trans | -65.1 | 171.5 | -175.2 | -69 | 95.4 | 158.2 | 0 | 0 | 115.6 | N1624 | E1332-N1624 PolarHBondContact OE1-ND2 2.74Š| ||
| 1333 | C | 20.8 | Very low | 24.4 | Very low | 114 Ų | 114 | 104.4 Ų | 104.4 | 77% | 0.77 | 62% | 0.622 | S | S | * | * | trans | -140.1 | 93 | 171.7 | -80.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1334 | H | 24.2 | Very low | 24.4 | Very low | 47 Ų | 47 | 101.7 Ų | 101.7 | 22% | 0.218 | 62% | 0.621 | C | S | . | * | trans | -130.1 | -177.9 | 160 | -64.1 | -112.3 | 0 | 0 | 0 | 110.2 | T1628 E1697 | H1334-T1628 HydrophobicContact CB-CG2 4.34Å; H1334-T1628 VanDerWaalsContact CD2-CB 3.42Å; H1334-T1628 WeakPolarHBondContact CD2-CB 3.19Å; H1334-T1628 PolarHBondContact CD2-OG1 2.94Å; H1334-T1628 VanDerWaalsContact CD2-OG1 3.3Å; H1334-T1628 PolarHBondContact CE1-OG1 2.95Å; H1334-T1628 WeakPolarHBondContact ND1-CB 3.47Å; H1334-T1628 PolarHBondContact ND1-O 3.46Å; H1334-T1628 PolarHBondContact ND1-OG1 2.91Å; H1334-T1628 PolarHBondContact NE2-OG1 3.47Å; H1334-E1697 WeakPolarHBondContact CA-OE1 3.49Å; H1334-E1697 HydrophobicContact CB-CG 4Å; H1334-E1697 WeakPolarHBondContact CB-OE1 3.42Å; H1334-E1697 PolarHBondContact N-OE1 3.17Å | ||
| 1335 | S | 26.1 | Very low | 24.4 | Very low | 57 Ų | 57 | 102.8 Ų | 102.8 | 40% | 0.399 | 62% | 0.623 | S | S | . | * | trans | 61.9 | 129.4 | -158.2 | 76.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1336 | T | 23.5 | Very low | 24.5 | Very low | 85 Ų | 85 | 105.2 Ų | 105.2 | 52% | 0.521 | 64% | 0.635 | S | S | . | * | cis | 66.1 | 96.1 | 28.2 | 81.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1337 | T | 22.8 | Very low | 24.4 | Very low | 119 Ų | 119 | 109 Ų | 109 | 73% | 0.73 | 66% | 0.656 | S | S | * | * | trans | 55 | 114.3 | 143.7 | 57.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1338 | N | 26.4 | Very low | 24.6 | Very low | 126 Ų | 126 | 110.3 Ų | 110.3 | 67% | 0.674 | 67% | 0.674 | S | S | * | * | -158.1 | 133 | 125.6 | -94.1 | -42.2 | 0 | 0 | 0 | 111.3 | D1696 | N1338-D1696 PolarHBondContact ND2-OD1 2.74Š| |||
| 1339 | L | 21.3 | Very low | 24.6 | Very low | 177 Ų | 177 | 111.3 Ų | 111.3 | 93% | 0.927 | 69% | 0.687 | S | S | * | * | trans | -135.8 | 75.7 | 180 | -151.7 | 173.1 | 0 | 0 | 0 | 109.6 | ||||
| 1340 | S | 24.4 | Very low | 24.7 | Very low | 101 Ų | 101 | 110.8 Ų | 110.8 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -169.1 | 152 | 177.6 | 56.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1341 | A | 25.2 | Very low | 24.8 | Very low | 98 Ų | 98 | 109.2 Ų | 109.2 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | cis | -175.4 | 136.5 | -22 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1342 | S | 25.7 | Very low | 24.7 | Very low | 130 Ų | 130 | 106.9 Ų | 106.9 | 91% | 0.909 | 70% | 0.697 | S | S | * | * | trans | 179.4 | 137.2 | 156.5 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1343 | G | 26.1 | Very low | 24.8 | Very low | 67 Ų | 67 | 108.2 Ų | 108.2 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | cis | -156.9 | -163.4 | -8.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1344 | V | 26.6 | Very low | 25 | Very low | 130 Ų | 130 | 107 Ų | 107 | 79% | 0.788 | 72% | 0.724 | S | S | * | * | cis | -149.6 | 118.7 | 8.9 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1345 | V | 24.7 | Very low | 25 | Very low | 124 Ų | 124 | 108.2 Ų | 108.2 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | 31.8 | 126 | 134.7 | -172.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1346 | T | 27 | Very low | 25 | Very low | 127 Ų | 127 | 111.8 Ų | 111.8 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | -172.1 | 128.3 | 118.4 | 16.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1347 | S | 24.5 | Very low | 25.1 | Very low | 110 Ų | 110 | 112.6 Ų | 112.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | 49.3 | 136.4 | 155 | 48.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1348 | S | 26.8 | Very low | 25.2 | Very low | 104 Ų | 104 | 113 Ų | 113 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -162.7 | 151 | 10.9 | 42.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1349 | S | 24.7 | Very low | 25.2 | Very low | 104 Ų | 104 | 111.7 Ų | 111.7 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 51.4 | 108.8 | 150.5 | 57.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1350 | S | 25.9 | Very low | 25.5 | Very low | 112 Ų | 112 | 109 Ų | 109 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | 129.8 | 131.5 | 107.8 | 67.9 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 1351 | S | 25.1 | Very low | 25.6 | Very low | 104 Ų | 104 | 112.3 Ų | 112.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 60.3 | 95 | 154.6 | 45 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1352 | S | 23.8 | Very low | 25.7 | Very low | 111 Ų | 111 | 111.4 Ų | 111.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | 55 | 98.1 | 124.3 | 63.6 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 1353 | S | 26 | Very low | 26.3 | Very low | 126 Ų | 126 | 109.9 Ų | 109.9 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | -175.7 | 155 | 120.4 | 42.9 | 0 | 0 | 0 | 0 | 111 | G1355 | S1353-G1355 PolarHBondContact O-N 2.72Å; S1353-G1355 VanDerWaalsContact O-N 3.1Å | |||
| 1354 | G | 24.4 | Very low | 27.3 | Very low | 88 Ų | 88 | 109.2 Ų | 109.2 | 91% | 0.907 | 76% | 0.759 | S | S | * | * | trans | -76.7 | 93.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1355 | G | 24.6 | Very low | 28.9 | Very low | 73 Ų | 73 | 105.2 Ų | 105.2 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 126.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1353 | S1353-G1355 PolarHBondContact O-N 2.72Å; S1353-G1355 VanDerWaalsContact O-N 3.1Å |
| 1356 | I | 26.3 | Very low | 30.9 | Very low | 131 Ų | 131 | 99.9 Ų | 99.9 | 67% | 0.672 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 137.2 | 167.8 | -64.1 | -177.1 | 0 | 0 | 0 | 108 | S1358 | I1356-S1358 PolarHBondContact O-N 3.06Š|
| 1357 | P | 25.8 | Very low | 33.1 | Very low | 102 Ų | 102 | 94.3 Ų | 94.3 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 134.6 | -176.1 | -25.4 | 34.9 | 0 | 0 | 0 | 113.7 | S1359 | P1357-S1359 PolarHBondContact O-N 2.86Š|
| 1358 | S | 23.9 | Very low | 35.3 | Very low | 127 Ų | 127 | 89.2 Ų | 89.2 | 89% | 0.888 | 63% | 0.629 | S | S | * | * | trans | -98.1 | 76.3 | 179.4 | 57.6 | 0 | 0 | 0 | 0 | 111.3 | I1356 | I1356-S1358 PolarHBondContact O-N 3.06Š| ||
| 1359 | S | 26.2 | Very low | 37.2 | Very low | 100 Ų | 100 | 86.3 Ų | 86.3 | 70% | 0.699 | 61% | 0.609 | S | S | * | * | trans | -144.3 | 4.3 | -176.8 | 58 | 0 | 0 | 0 | 0 | 116 | P1357 | P1357-S1359 PolarHBondContact O-N 2.86Š| ||
| 1360 | T | 27.5 | Very low | 39.6 | Very low | 119 Ų | 119 | 81.8 Ų | 81.8 | 73% | 0.73 | 58% | 0.576 | S | S | * | * | trans | -129.1 | 90 | -178 | 31.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1361 | I | 26.2 | Very low | 41.9 | Very low | 172 Ų | 172 | 76.7 Ų | 76.7 | 88% | 0.882 | 54% | 0.541 | S | S | * | . | trans | -133.8 | 56.6 | 170.3 | -46.3 | 179.5 | 0 | 0 | 0 | 107.8 | ||||
| 1362 | G | 27.1 | Very low | 44 | Very low | 79 Ų | 79 | 72 Ų | 72 | 81% | 0.814 | 51% | 0.508 | S | S | * | . | trans | -153.4 | 7.2 | -168 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1363 | S | 38.4 | Very low | 46.1 | Very low | 98 Ų | 98 | 72.9 Ų | 72.9 | 69% | 0.685 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -103.6 | 142.8 | 172 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1364 | G | 49 | Very low | 48.2 | Very low | 52 Ų | 52 | 66.9 Ų | 66.9 | 54% | 0.536 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 145.6 | -159.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1365 | F | 59.9 | Low | 50.5 | Low | 46 Ų | 46 | 62.8 Ų | 62.8 | 20% | 0.202 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 130 | 173.4 | 168.1 | -93.7 | 0 | 0 | 0 | 111.6 | I1217 P1218 C1221 V1367 F1370 | I1217-F1365 HydrophobicContact CG2-CE1 3.86Å; I1217-F1365 HydrophobicContact CG2-CZ 4.44Å; P1218-F1365 HydrophobicContact CB-CB 3.94Å; P1218-F1365 HydrophobicContact CB-CD1 4.4Å; P1218-F1365 HydrophobicContact CB-CD2 4.05Å; P1218-F1365 HydrophobicContact CB-CG 3.88Å; P1218-F1365 HydrophobicContact CG-CB 3.63Å; P1218-F1365 HydrophobicContact CG-CD1 3.86Å; P1218-F1365 HydrophobicContact CG-CD2 4.36Å; P1218-F1365 HydrophobicContact CG-CG 3.7Å; C1221-F1365 HydrophobicContact CB-CE2 3.64Å; C1221-F1365 HydrophobicContact CB-CZ 3.6Å; F1365-V1367 HydrophobicContact CE1-CG2 3.69Å; F1365-V1367 HydrophobicContact CZ-CG2 4.31Å; F1365-F1370 HydrophobicContact CE2-CB 3.99Å; F1365-F1370 HydrophobicContact CE2-CG 4.45Å; F1365-F1370 HydrophobicContact CZ-CB 4Å; F1365-F1370 HydrophobicContact CZ-CG 4.32Å |
| 1366 | C | 67 | Low | 52.4 | Low | 13 Ų | 13 | 61.3 Ų | 61.3 | 9% | 0.088 | 38% | 0.383 | C | S | . | . | trans | -113.9 | 125.8 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | P1319 L1368 S1369 F1370 | P1319-C1366 HydrophobicContact CG-CB 3.7Å; C1366-L1368 VanDerWaalsContact C-N 3.25Å; C1366-L1368 PolarHBondContact O-N 3.32Å; C1366-S1369 PolarHBondContact O-N 2.91Å; C1366-S1369 VanDerWaalsContact O-N 3.09Å; C1366-S1369 PolarHBondContact O-OG 3.23Å; C1366-F1370 PolarHBondContact O-N 3.42Å; C1366-F1370 VanDerWaalsContact O-N 3.13Å | ||
| 1367 | V | 72 | Confident | 54.4 | Low | 10 Ų | 10 | 58.2 Ų | 58.2 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.9 | -33.1 | 174.9 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | L1316 F1317 F1365 S1369 F1370 A1371 | L1316-V1367 HydrophobicContact CB-CG2 3.83Å; L1316-V1367 HydrophobicContact CD2-CG2 4.14Å; L1316-V1367 HydrophobicContact CG-CG2 4.41Å; L1316-V1367 PolarHBondContact O-N 3Å; F1317-V1367 HydrophobicContact CD1-CB 3.92Å; F1317-V1367 HydrophobicContact CD1-CG1 4.27Å; F1317-V1367 HydrophobicContact CE1-CB 3.64Å; F1317-V1367 HydrophobicContact CE1-CG1 3.49Å; F1317-V1367 VanDerWaalsContact CE1-CG1 3.49Å; F1317-V1367 HydrophobicContact CZ-CB 4.4Å; F1317-V1367 HydrophobicContact CZ-CG1 4.05Å; F1365-V1367 HydrophobicContact CE1-CG2 3.69Å; F1365-V1367 HydrophobicContact CZ-CG2 4.31Å; V1367-S1369 VanDerWaalsContact C-N 3.33Å; V1367-S1369 PolarHBondContact O-N 3.32Å; V1367-F1370 PolarHBondContact O-N 2.84Å; V1367-A1371 WeakPolarHBondContact O-CB 3.37Å; V1367-A1371 PolarHBondContact O-N 3.46Å |
| 1368 | L | 70.5 | Confident | 56.3 | Low | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 174.9 | -52.6 | -179.9 | 0 | 0 | 0 | 111.6 | F1317 C1366 A1371 S1372 I1414 R1424 D1427 L1431 I1432 | F1317-L1368 HydrophobicContact CD1-CD2 3.56Å; F1317-L1368 HydrophobicContact CD1-CG 3.92Å; F1317-L1368 HydrophobicContact CE1-CD2 3.87Å; C1366-L1368 VanDerWaalsContact C-N 3.25Å; C1366-L1368 PolarHBondContact O-N 3.32Å; L1368-A1371 PolarHBondContact O-N 3.1Å; L1368-S1372 WeakPolarHBondContact O-CB 3.48Å; L1368-S1372 PolarHBondContact O-N 2.95Å; L1368-I1414 HydrophobicContact CD2-CD1 4.11Å; L1368-R1424 HydrophobicContact CD1-CB 4.39Å; L1368-D1427 HydrophobicContact CD1-CB 3.61Å; L1368-L1431 HydrophobicContact CB-CD1 4.31Å; L1368-I1432 HydrophobicContact CB-CD1 4.42Å; L1368-I1432 HydrophobicContact CD2-CD1 3.76Å |
| 1369 | S | 67.8 | Low | 58.1 | Low | 43 Ų | 43 | 51 Ų | 51 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.6 | -32 | 176.5 | 73.9 | 0 | 0 | 0 | 0 | 113.1 | C1366 V1367 R1373 | C1366-S1369 PolarHBondContact O-N 2.91Å; C1366-S1369 VanDerWaalsContact O-N 3.09Å; C1366-S1369 PolarHBondContact O-OG 3.23Å; V1367-S1369 VanDerWaalsContact C-N 3.33Å; V1367-S1369 PolarHBondContact O-N 3.32Å; S1369-R1373 WeakPolarHBondContact O-CG 3.19Å; S1369-R1373 PolarHBondContact O-N 3.03Å |
| 1370 | F | 74 | Confident | 59.3 | Low | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.6 | -43.7 | 174.1 | 167.3 | -93.6 | 0 | 0 | 0 | 111.3 | C1221 I1224 L1225 F1299 F1365 C1366 V1367 R1373 L1374 | C1221-F1370 HydrophobicContact CB-CD2 3.59Å; C1221-F1370 HydrophobicContact CB-CE2 3.54Å; C1221-F1370 HydrophobicContact CB-CG 4.21Å; C1221-F1370 HydrophobicContact CB-CZ 4.13Å; C1221-F1370 WeakPolarHBondContact O-CE2 2.98Å; I1224-F1370 HydrophobicContact CG2-CE2 4.49Å; I1224-F1370 HydrophobicContact CG2-CZ 4.31Å; L1225-F1370 HydrophobicContact CD1-CD2 4.01Å; L1225-F1370 HydrophobicContact CD1-CE2 4.44Å; L1225-F1370 HydrophobicContact CD2-CD2 4.43Å; L1225-F1370 HydrophobicContact CD2-CE2 4.5Å; L1225-F1370 HydrophobicContact CG-CD2 4.05Å; L1225-F1370 HydrophobicContact CG-CE2 4.03Å; F1299-F1370 AromaticContact CE2-CE1 3.57Å; F1299-F1370 HydrophobicContact CE2-CE1 3.57Å; F1299-F1370 AromaticContact CE2-CZ 3.61Å; F1299-F1370 HydrophobicContact CE2-CZ 3.61Å; F1299-F1370 AromaticContact CZ-CE1 3.68Å; F1299-F1370 HydrophobicContact CZ-CE1 3.68Å; F1299-F1370 AromaticContact CZ-CZ 3.87Å; F1299-F1370 HydrophobicContact CZ-CZ 3.87Å; F1365-F1370 HydrophobicContact CE2-CB 3.99Å; F1365-F1370 HydrophobicContact CE2-CG 4.45Å; F1365-F1370 HydrophobicContact CZ-CB 4Å; F1365-F1370 HydrophobicContact CZ-CG 4.32Å; C1366-F1370 PolarHBondContact O-N 3.42Å; C1366-F1370 VanDerWaalsContact O-N 3.13Å; V1367-F1370 PolarHBondContact O-N 2.84Å; F1370-R1373 PolarHBondContact O-N 3.49Å; F1370-L1374 HydrophobicContact CD1-CD1 4.26Å; F1370-L1374 HydrophobicContact CE1-CD1 3.63Å; F1370-L1374 HydrophobicContact CE2-CD1 4.06Å; F1370-L1374 HydrophobicContact CZ-CD1 3.52Å; F1370-L1374 PolarHBondContact O-N 3.47Å |
| 1371 | A | 74 | Confident | 59.9 | Low | 5 Ų | 5 | 46.6 Ų | 46.6 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1367 L1368 L1374 L1375 V1407 | V1367-A1371 WeakPolarHBondContact O-CB 3.37Å; V1367-A1371 PolarHBondContact O-N 3.46Å; L1368-A1371 PolarHBondContact O-N 3.1Å; A1371-L1374 PolarHBondContact O-N 3.4Å; A1371-L1375 WeakPolarHBondContact O-CG 3.2Å; A1371-L1375 PolarHBondContact O-N 3.49Å; A1371-V1407 HydrophobicContact CB-CG1 4.23Å |
| 1372 | S | 69.7 | Low | 60.6 | Low | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57 | -50.9 | 175.5 | -167.1 | 0 | 0 | 0 | 0 | 111.3 | L1368 L1374 L1375 E1376 L1431 | L1368-S1372 WeakPolarHBondContact O-CB 3.48Å; L1368-S1372 PolarHBondContact O-N 2.95Å; S1372-L1374 VanDerWaalsContact C-N 3.26Å; S1372-L1374 PolarHBondContact O-N 2.8Å; S1372-L1375 CarbonylContact O-C 3.45Å; S1372-L1375 PolarHBondContact O-N 2.84Å; S1372-L1375 VanDerWaalsContact O-N 3.13Å; S1372-E1376 WeakPolarHBondContact O-CB 3.43Å; S1372-E1376 WeakPolarHBondContact O-CG 3.43Å; S1372-E1376 PolarHBondContact O-N 3.31Å; S1372-L1431 WeakPolarHBondContact CB-O 3.5Å; S1372-L1431 PolarHBondContact OG-O 3.15Å |
| 1373 | R | 67.5 | Low | 60.9 | Low | 130 Ų | 130 | 44.8 Ų | 44.8 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -26.9 | 177.5 | -75.4 | 177.9 | 178.2 | 171.6 | 2.5 | 115.1 | S1369 F1370 H1377 | S1369-R1373 WeakPolarHBondContact O-CG 3.19Å; S1369-R1373 PolarHBondContact O-N 3.03Å; F1370-R1373 PolarHBondContact O-N 3.49Å; R1373-H1377 WeakPolarHBondContact O-CB 3.36Å; R1373-H1377 PolarHBondContact O-N 2.77Å |
| 1374 | L | 71.5 | Confident | 60.6 | Low | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -78.8 | -43.3 | 172.7 | -70.9 | 174.3 | 0 | 0 | 0 | 111.4 | L1230 F1370 A1371 S1372 E1376 H1377 W1378 I1403 V1407 | L1230-L1374 HydrophobicContact CD1-CD2 4.08Å; F1370-L1374 HydrophobicContact CD1-CD1 4.26Å; F1370-L1374 HydrophobicContact CE1-CD1 3.63Å; F1370-L1374 HydrophobicContact CE2-CD1 4.06Å; F1370-L1374 HydrophobicContact CZ-CD1 3.52Å; F1370-L1374 PolarHBondContact O-N 3.47Å; A1371-L1374 PolarHBondContact O-N 3.4Å; S1372-L1374 VanDerWaalsContact C-N 3.26Å; S1372-L1374 PolarHBondContact O-N 2.8Å; L1374-E1376 VanDerWaalsContact C-N 3.3Å; L1374-E1376 PolarHBondContact O-N 3.38Å; L1374-H1377 WeakPolarHBondContact O-CB 3.31Å; L1374-H1377 PolarHBondContact O-N 3.33Å; L1374-H1377 VanDerWaalsContact O-N 3.12Å; L1374-W1378 HydrophobicContact CB-CE3 4.13Å; L1374-W1378 HydrophobicContact CB-CH2 3.87Å; L1374-W1378 HydrophobicContact CB-CZ3 3.62Å; L1374-W1378 HydrophobicContact CD1-CH2 4.43Å; L1374-W1378 VanDerWaalsContact O-CD2 3.22Å; L1374-W1378 PolarHBondContact O-N 3.03Å; L1374-I1403 HydrophobicContact CD1-CG2 3.94Å; L1374-V1407 HydrophobicContact CD1-CG2 3.74Å |
| 1375 | L | 72.2 | Confident | 59.8 | Low | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.7 | -39.5 | 171 | -68.8 | 173 | 0 | 0 | 0 | 111.8 | A1371 S1372 W1378 T1379 I1411 I1432 L1439 | A1371-L1375 WeakPolarHBondContact O-CG 3.2Å; A1371-L1375 PolarHBondContact O-N 3.49Å; S1372-L1375 CarbonylContact O-C 3.45Å; S1372-L1375 PolarHBondContact O-N 2.84Å; S1372-L1375 VanDerWaalsContact O-N 3.13Å; L1375-W1378 HydrophobicContact CD2-CE3 4.45Å; L1375-W1378 PolarHBondContact O-N 3.16Å; L1375-T1379 WeakPolarHBondContact O-CB 3.42Å; L1375-T1379 VanDerWaalsContact O-CG2 3.28Å; L1375-T1379 WeakPolarHBondContact O-CG2 3.46Å; L1375-T1379 PolarHBondContact O-N 3.11Å; L1375-T1379 VanDerWaalsContact O-N 3.09Å; L1375-T1379 PolarHBondContact O-OG1 2.82Å; L1375-I1411 HydrophobicContact CD1-CD1 3.92Å; L1375-I1411 HydrophobicContact CD2-CD1 4.49Å; L1375-I1432 HydrophobicContact CD1-CB 4.43Å; L1375-I1432 HydrophobicContact CD1-CG1 4.26Å; L1375-I1432 HydrophobicContact CD1-CG2 4.18Å; L1375-L1439 HydrophobicContact CD2-CD1 3.56Å |
| 1376 | E | 65.2 | Low | 58.5 | Low | 43 Ų | 43 | 47.2 Ų | 47.2 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -50.4 | 169.4 | -76.8 | -154.6 | 117.9 | 0 | 0 | 110.4 | S1372 L1374 W1378 T1379 S1380 | S1372-E1376 WeakPolarHBondContact O-CB 3.43Å; S1372-E1376 WeakPolarHBondContact O-CG 3.43Å; S1372-E1376 PolarHBondContact O-N 3.31Å; L1374-E1376 VanDerWaalsContact C-N 3.3Å; L1374-E1376 PolarHBondContact O-N 3.38Å; E1376-W1378 PolarHBondContact O-N 3.04Å; E1376-W1378 VanDerWaalsContact O-N 3.16Å; E1376-T1379 CarbonylContact O-C 3.49Å; E1376-T1379 VanDerWaalsContact O-C 3.32Å; E1376-T1379 WeakPolarHBondContact O-CA 3.47Å; E1376-T1379 PolarHBondContact O-N 3.06Å; E1376-S1380 WeakPolarHBondContact O-CA 3.49Å; E1376-S1380 WeakPolarHBondContact O-CB 3.35Å; E1376-S1380 PolarHBondContact O-N 3.22Å; E1376-S1380 PolarHBondContact O-OG 2.8Å |
| 1377 | H | 66.8 | Low | 56.8 | Low | 66 Ų | 66 | 48.9 Ų | 48.9 | 31% | 0.306 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.8 | -37.4 | 178.5 | -173 | 48.7 | 0 | 0 | 0 | 113 | V1228 L1230 R1373 L1374 T1379 | V1228-H1377 VanDerWaalsContact CG1-CD2 3.45Å; V1228-H1377 WeakPolarHBondContact CG1-CD2 3.47Å; L1230-H1377 HydrophobicContact CD1-CB 4.01Å; L1230-H1377 HydrophobicContact CD2-CB 4.09Å; R1373-H1377 WeakPolarHBondContact O-CB 3.36Å; R1373-H1377 PolarHBondContact O-N 2.77Å; L1374-H1377 WeakPolarHBondContact O-CB 3.31Å; L1374-H1377 PolarHBondContact O-N 3.33Å; L1374-H1377 VanDerWaalsContact O-N 3.12Å; H1377-T1379 VanDerWaalsContact C-N 3.31Å; H1377-T1379 PolarHBondContact O-N 2.93Å |
| 1378 | W | 65.2 | Low | 54.7 | Low | 59 Ų | 59 | 52.9 Ų | 52.9 | 22% | 0.223 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -3.9 | 173.9 | -61.8 | -50.2 | 0 | 0 | 0 | 114.8 | L1374 L1375 E1376 I1403 L1404 V1407 L1439 | L1374-W1378 HydrophobicContact CB-CE3 4.13Å; L1374-W1378 HydrophobicContact CB-CH2 3.87Å; L1374-W1378 HydrophobicContact CB-CZ3 3.62Å; L1374-W1378 HydrophobicContact CD1-CH2 4.43Å; L1374-W1378 VanDerWaalsContact O-CD2 3.22Å; L1374-W1378 PolarHBondContact O-N 3.03Å; L1375-W1378 HydrophobicContact CD2-CE3 4.45Å; L1375-W1378 PolarHBondContact O-N 3.16Å; E1376-W1378 PolarHBondContact O-N 3.04Å; E1376-W1378 VanDerWaalsContact O-N 3.16Å; W1378-I1403 HydrophobicContact CH2-CG2 4.03Å; W1378-I1403 HydrophobicContact CZ2-CG2 4.24Å; W1378-L1404 HydrophobicContact CD2-CD1 4.01Å; W1378-L1404 HydrophobicContact CE3-CD1 3.54Å; W1378-L1404 HydrophobicContact CH2-CB 3.77Å; W1378-L1404 HydrophobicContact CH2-CD1 3.96Å; W1378-L1404 HydrophobicContact CH2-CG 4.48Å; W1378-L1404 HydrophobicContact CZ2-CB 3.73Å; W1378-L1404 HydrophobicContact CZ2-CD1 4.36Å; W1378-L1404 HydrophobicContact CZ3-CB 4.26Å; W1378-L1404 HydrophobicContact CZ3-CD1 3.51Å; W1378-L1404 HydrophobicContact CZ3-CG 4.49Å; W1378-V1407 HydrophobicContact CH2-CB 4.34Å; W1378-V1407 HydrophobicContact CH2-CG2 4.21Å; W1378-V1407 HydrophobicContact CZ3-CB 4.23Å; W1378-V1407 HydrophobicContact CZ3-CG1 4.21Å; W1378-V1407 HydrophobicContact CZ3-CG2 4.4Å; W1378-L1439 HydrophobicContact CB-CD2 4.48Å |
| 1379 | T | 61.8 | Low | 52.8 | Low | 19 Ų | 19 | 55.9 Ų | 55.9 | 12% | 0.117 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.8 | 7 | -177.4 | 67.4 | 0 | 0 | 0 | 0 | 115.7 | L1375 E1376 H1377 R1438 L1439 | L1375-T1379 WeakPolarHBondContact O-CB 3.42Å; L1375-T1379 VanDerWaalsContact O-CG2 3.28Å; L1375-T1379 WeakPolarHBondContact O-CG2 3.46Å; L1375-T1379 PolarHBondContact O-N 3.11Å; L1375-T1379 VanDerWaalsContact O-N 3.09Å; L1375-T1379 PolarHBondContact O-OG1 2.82Å; E1376-T1379 CarbonylContact O-C 3.49Å; E1376-T1379 VanDerWaalsContact O-C 3.32Å; E1376-T1379 WeakPolarHBondContact O-CA 3.47Å; E1376-T1379 PolarHBondContact O-N 3.06Å; H1377-T1379 VanDerWaalsContact C-N 3.31Å; H1377-T1379 PolarHBondContact O-N 2.93Å; T1379-R1438 HydrophobicContact CG2-CB 3.7Å; T1379-R1438 PolarHBondContact O-NH1 2.92Å; T1379-L1439 HydrophobicContact CG2-CD2 3.86Å; T1379-L1439 HydrophobicContact CG2-CG 3.88Å |
| 1380 | S | 51.9 | Low | 51.1 | Low | 76 Ų | 76 | 58 Ų | 58 | 53% | 0.531 | 36% | 0.359 | S | S | . | . | trans | -105.4 | 14.3 | 179.1 | 79.6 | 0 | 0 | 0 | 0 | 112.5 | E1376 D1382 | E1376-S1380 WeakPolarHBondContact O-CA 3.49Å; E1376-S1380 WeakPolarHBondContact O-CB 3.35Å; E1376-S1380 PolarHBondContact O-N 3.22Å; E1376-S1380 PolarHBondContact O-OG 2.8Å; S1380-D1382 PolarHBondContact O-N 2.98Å | ||
| 1381 | A | 41 | Very low | 48.9 | Very low | 50 Ų | 50 | 66.1 Ų | 66.1 | 41% | 0.413 | 40% | 0.395 | S | S | . | . | trans | -76.9 | 117.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | P1383 V1386 | A1381-P1383 WeakPolarHBondContact O-CD 3.49Å; A1381-V1386 HydrophobicContact CB-CB 3.87Å; A1381-V1386 HydrophobicContact CB-CG1 3.94Å; A1381-V1386 HydrophobicContact CB-CG2 3.8Å | ||
| 1382 | D | 39.3 | Very low | 47 | Very low | 99 Ų | 99 | 70.8 Ų | 70.8 | 53% | 0.529 | 43% | 0.428 | S | S | . | . | trans | -49.3 | 119.4 | 154.4 | -112.9 | -9.1 | 0 | 0 | 0 | 108.1 | S1380 V1384 S1385 V1386 | S1380-D1382 PolarHBondContact O-N 2.98Å; D1382-V1384 PolarHBondContact O-N 3.07Å; D1382-S1385 WeakPolarHBondContact CB-OG 3.35Å; D1382-S1385 PolarHBondContact O-N 2.87Å; D1382-S1385 WeakPolarHBondContact OD2-CB 3.4Å; D1382-S1385 PolarHBondContact OD2-OG 3.3Å; D1382-V1386 PolarHBondContact O-N 2.64Å; D1382-V1386 VanDerWaalsContact O-N 3.14Å | ||
| 1383 | P | 34.3 | Very low | 45.1 | Very low | 113 Ų | 113 | 74.8 Ų | 74.8 | 73% | 0.734 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -7.4 | -178.3 | 26.6 | -34.3 | 0 | 0 | 0 | 113.1 | A1381 A1387 | A1381-P1383 WeakPolarHBondContact O-CD 3.49Å; P1383-A1387 WeakPolarHBondContact O-CB 3.46Å |
| 1384 | V | 31.2 | Very low | 43.3 | Very low | 117 Ų | 117 | 77.2 Ų | 77.2 | 71% | 0.709 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.7 | -48.2 | 177.1 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | D1382 | D1382-V1384 PolarHBondContact O-N 3.07Š|
| 1385 | S | 33.5 | Very low | 41.5 | Very low | 75 Ų | 75 | 84.4 Ų | 84.4 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -36.2 | -173.4 | -48.7 | 0 | 0 | 0 | 0 | 113.3 | D1382 | D1382-S1385 WeakPolarHBondContact CB-OG 3.35Å; D1382-S1385 PolarHBondContact O-N 2.87Å; D1382-S1385 WeakPolarHBondContact OD2-CB 3.4Å; D1382-S1385 PolarHBondContact OD2-OG 3.3Å |
| 1386 | V | 33.2 | Very low | 39.5 | Very low | 55 Ų | 55 | 91 Ų | 91 | 33% | 0.333 | 54% | 0.538 | S | S | . | . | G | 310 helix | trans | -78.8 | -29 | 176.5 | 161.1 | 0 | 0 | 0 | 0 | 112.1 | A1381 D1382 A1388 G1389 L1390 | A1381-V1386 HydrophobicContact CB-CB 3.87Å; A1381-V1386 HydrophobicContact CB-CG1 3.94Å; A1381-V1386 HydrophobicContact CB-CG2 3.8Å; D1382-V1386 PolarHBondContact O-N 2.64Å; D1382-V1386 VanDerWaalsContact O-N 3.14Å; V1386-A1388 PolarHBondContact O-N 3.01Å; V1386-A1388 VanDerWaalsContact O-N 3.08Å; V1386-G1389 PolarHBondContact O-N 3.48Å; V1386-L1390 HydrophobicContact CG1-CB 4.06Å; V1386-L1390 HydrophobicContact CG1-CD1 3.68Å; V1386-L1390 HydrophobicContact CG1-CG 4.39Å; V1386-L1390 PolarHBondContact O-N 3.16Å; V1386-L1390 VanDerWaalsContact O-N 3.11Å |
| 1387 | A | 30.2 | Very low | 38.5 | Very low | 49 Ų | 49 | 92 Ų | 92 | 41% | 0.405 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -64.5 | -8.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P1383 F1391 | P1383-A1387 WeakPolarHBondContact O-CB 3.46Å; A1387-F1391 WeakPolarHBondContact O-CD2 3.49Å; A1387-F1391 WeakPolarHBondContact O-CE2 3.35Å |
| 1388 | A | 28.3 | Very low | 38.1 | Very low | 94 Ų | 94 | 90 Ų | 90 | 78% | 0.777 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -91.2 | -12 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1386 | V1386-A1388 PolarHBondContact O-N 3.01Å; V1386-A1388 VanDerWaalsContact O-N 3.08Å |
| 1389 | G | 30.1 | Very low | 37.9 | Very low | 66 Ų | 66 | 89.7 Ų | 89.7 | 68% | 0.68 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.4 | -26.3 | -170 | 0 | 0 | 0 | 0 | 0 | 116.6 | V1386 | V1386-G1389 PolarHBondContact O-N 3.48Š|
| 1390 | L | 31.6 | Very low | 38.1 | Very low | 86 Ų | 86 | 91.8 Ų | 91.8 | 45% | 0.45 | 56% | 0.562 | S | S | . | * | trans | -100.2 | 11.1 | -172.7 | -99.7 | 165.8 | 0 | 0 | 0 | 115.6 | V1386 S1392 I1393 | V1386-L1390 HydrophobicContact CG1-CB 4.06Å; V1386-L1390 HydrophobicContact CG1-CD1 3.68Å; V1386-L1390 HydrophobicContact CG1-CG 4.39Å; V1386-L1390 PolarHBondContact O-N 3.16Å; V1386-L1390 VanDerWaalsContact O-N 3.11Å; L1390-S1392 PolarHBondContact O-N 3.31Å; L1390-I1393 HydrophobicContact CD2-CB 4.13Å; L1390-I1393 HydrophobicContact CD2-CD1 4.1Å; L1390-I1393 HydrophobicContact CD2-CG1 4.37Å | ||
| 1391 | F | 29.1 | Very low | 38.7 | Very low | 179 Ų | 179 | 90.1 Ų | 90.1 | 79% | 0.785 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | 25.8 | -178.8 | -108 | -92 | 0 | 0 | 0 | 115.7 | A1387 | A1387-F1391 WeakPolarHBondContact O-CD2 3.49Å; A1387-F1391 WeakPolarHBondContact O-CE2 3.35Å |
| 1392 | S | 32.8 | Very low | 40 | Very low | 104 Ų | 104 | 92.1 Ų | 92.1 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -151.2 | 8.2 | -174 | -61.1 | 0 | 0 | 0 | 0 | 116.5 | L1390 | L1390-S1392 PolarHBondContact O-N 3.31Š|
| 1393 | I | 30.9 | Very low | 41.5 | Very low | 89 Ų | 89 | 87.5 Ų | 87.5 | 46% | 0.456 | 52% | 0.523 | S | S | . | . | trans | -119.2 | -12.3 | -173.3 | -59.9 | -175.6 | 0 | 0 | 0 | 114.5 | L1390 H1395 | L1390-I1393 HydrophobicContact CD2-CB 4.13Å; L1390-I1393 HydrophobicContact CD2-CD1 4.1Å; L1390-I1393 HydrophobicContact CD2-CG1 4.37Å; I1393-H1395 PolarHBondContact O-N 3.15Å | ||
| 1394 | H | 30.2 | Very low | 43.6 | Very low | 180 Ų | 180 | 83.2 Ų | 83.2 | 83% | 0.833 | 49% | 0.494 | S | S | * | . | trans | -73.8 | 62.7 | 172.6 | -78.6 | -60 | 0 | 0 | 0 | 113.7 | ||||
| 1395 | H | 31.8 | Very low | 45.6 | Very low | 153 Ų | 153 | 80.9 Ų | 80.9 | 71% | 0.708 | 48% | 0.483 | S | S | * | . | trans | -88.9 | 135.7 | 157.5 | -80.4 | -64.9 | 0 | 0 | 0 | 109.8 | I1393 G1397 S1398 | I1393-H1395 PolarHBondContact O-N 3.15Å; H1395-G1397 PolarHBondContact O-N 2.85Å; H1395-S1398 PolarHBondContact O-N 3.08Å | ||
| 1396 | T | 30.7 | Very low | 47.5 | Very low | 139 Ų | 139 | 78.5 Ų | 78.5 | 85% | 0.853 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -59.2 | 124.5 | 178.7 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 1397 | G | 44.2 | Very low | 49.5 | Very low | 63 Ų | 63 | 76 Ų | 76 | 65% | 0.649 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 89.2 | 39 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1395 | H1395-G1397 PolarHBondContact O-N 2.85Š|
| 1398 | S | 57.9 | Low | 51.9 | Low | 24 Ų | 24 | 73.9 Ų | 73.9 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | trans | -75.5 | 157.7 | 169.9 | 75.1 | 0 | 0 | 0 | 0 | 111.6 | H1395 E1400 D1401 E1402 | H1395-S1398 PolarHBondContact O-N 3.08Å; S1398-E1400 PolarHBondContact O-N 3.1Å; S1398-E1400 PolarHBondContact OG-N 2.91Å; S1398-D1401 WeakPolarHBondContact O-CB 3.48Å; S1398-D1401 PolarHBondContact O-N 3.1Å; S1398-D1401 VanDerWaalsContact O-N 3.13Å; S1398-D1401 PolarHBondContact OG-N 3.27Å; S1398-D1401 VanDerWaalsContact OG-N 3.12Å; S1398-E1402 PolarHBondContact O-N 3.46Å | ||
| 1399 | F | 62.7 | Low | 54.2 | Low | 53 Ų | 53 | 72.3 Ų | 72.3 | 23% | 0.232 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -56.8 | -28.3 | 171.5 | 177.4 | -113.3 | 0 | 0 | 0 | 112.4 | A1227 V1228 L1296 I1403 | A1227-F1399 HydrophobicContact CB-CE1 4.19Å; A1227-F1399 HydrophobicContact CB-CZ 4.46Å; V1228-F1399 HydrophobicContact CG2-CE1 4.38Å; L1296-F1399 HydrophobicContact CD1-CD2 4.45Å; L1296-F1399 HydrophobicContact CD1-CE2 4.32Å; F1399-I1403 HydrophobicContact CD1-CD1 3.77Å; F1399-I1403 HydrophobicContact CD2-CD1 4.27Å; F1399-I1403 HydrophobicContact CE1-CD1 3.48Å; F1399-I1403 VanDerWaalsContact CE1-CD1 3.48Å; F1399-I1403 HydrophobicContact CE2-CD1 4.02Å; F1399-I1403 HydrophobicContact CG-CD1 4.17Å; F1399-I1403 HydrophobicContact CZ-CD1 3.63Å; F1399-I1403 WeakPolarHBondContact O-CD1 3.37Å; F1399-I1403 VanDerWaalsContact O-CG1 3.26Å; F1399-I1403 WeakPolarHBondContact O-CG1 3.43Å; F1399-I1403 PolarHBondContact O-N 2.98Å; F1399-I1403 VanDerWaalsContact O-N 3.13Å |
| 1400 | E | 64.9 | Low | 56.3 | Low | 63 Ų | 63 | 69.8 Ų | 69.8 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -75.5 | -38.7 | 176.9 | -66.5 | 161 | -162.9 | 0 | 0 | 112.3 | S1398 E1402 I1403 L1404 | S1398-E1400 PolarHBondContact O-N 3.1Å; S1398-E1400 PolarHBondContact OG-N 2.91Å; E1400-E1402 VanDerWaalsContact C-N 3.33Å; E1400-I1403 PolarHBondContact O-N 3.38Å; E1400-L1404 VanDerWaalsContact O-CB 3.31Å; E1400-L1404 WeakPolarHBondContact O-CB 3.38Å; E1400-L1404 PolarHBondContact O-N 2.95Å |
| 1401 | D | 64.6 | Low | 58.5 | Low | 41 Ų | 41 | 65.8 Ų | 65.8 | 22% | 0.219 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 172.1 | -103.6 | -15.8 | 0 | 0 | 0 | 110.9 | S1398 L1404 S1405 K1446 | S1398-D1401 WeakPolarHBondContact O-CB 3.48Å; S1398-D1401 PolarHBondContact O-N 3.1Å; S1398-D1401 VanDerWaalsContact O-N 3.13Å; S1398-D1401 PolarHBondContact OG-N 3.27Å; S1398-D1401 VanDerWaalsContact OG-N 3.12Å; D1401-L1404 PolarHBondContact O-N 2.99Å; D1401-S1405 PolarHBondContact O-N 3.32Å; D1401-K1446 IonicContact OD1-NZ 2.84Å; D1401-K1446 PolarHBondContact OD1-NZ 3Å; D1401-K1446 IonicContact OD2-NZ 4Å; D1401-K1446 PolarHBondContact OD2-NZ 3.13Å |
| 1402 | E | 68.6 | Low | 60.9 | Low | 92 Ų | 92 | 58.9 Ų | 58.9 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 177.3 | -66.6 | -178.2 | 132.4 | 0 | 0 | 111.9 | L1296 S1398 E1400 S1405 I1406 | L1296-E1402 HydrophobicContact CD1-CB 4.24Å; L1296-E1402 WeakPolarHBondContact CD2-OE2 3.45Å; S1398-E1402 PolarHBondContact O-N 3.46Å; E1400-E1402 VanDerWaalsContact C-N 3.33Å; E1402-S1405 PolarHBondContact O-N 3.14Å; E1402-I1406 WeakPolarHBondContact O-CG1 3.45Å; E1402-I1406 PolarHBondContact O-N 3.48Å |
| 1403 | I | 71.5 | Confident | 62.9 | Low | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 176.9 | -66.8 | 165.8 | 0 | 0 | 0 | 111.1 | I1224 V1228 L1296 F1299 L1374 W1378 F1399 E1400 S1405 I1406 V1407 | I1224-I1403 HydrophobicContact CG2-CD1 3.92Å; V1228-I1403 HydrophobicContact CG2-CD1 4.28Å; L1296-I1403 HydrophobicContact CD1-CG1 4.42Å; F1299-I1403 HydrophobicContact CE1-CG1 4.44Å; F1299-I1403 HydrophobicContact CE1-CG2 4.09Å; F1299-I1403 HydrophobicContact CZ-CG2 4.49Å; L1374-I1403 HydrophobicContact CD1-CG2 3.94Å; W1378-I1403 HydrophobicContact CH2-CG2 4.03Å; W1378-I1403 HydrophobicContact CZ2-CG2 4.24Å; F1399-I1403 HydrophobicContact CD1-CD1 3.77Å; F1399-I1403 HydrophobicContact CD2-CD1 4.27Å; F1399-I1403 HydrophobicContact CE1-CD1 3.48Å; F1399-I1403 VanDerWaalsContact CE1-CD1 3.48Å; F1399-I1403 HydrophobicContact CE2-CD1 4.02Å; F1399-I1403 HydrophobicContact CG-CD1 4.17Å; F1399-I1403 HydrophobicContact CZ-CD1 3.63Å; F1399-I1403 WeakPolarHBondContact O-CD1 3.37Å; F1399-I1403 VanDerWaalsContact O-CG1 3.26Å; F1399-I1403 WeakPolarHBondContact O-CG1 3.43Å; F1399-I1403 PolarHBondContact O-N 2.98Å; F1399-I1403 VanDerWaalsContact O-N 3.13Å; E1400-I1403 PolarHBondContact O-N 3.38Å; I1403-S1405 PolarHBondContact O-N 2.75Å; I1403-I1406 PolarHBondContact O-N 3.11Å; I1403-V1407 HydrophobicContact CG2-CG2 4.24Å; I1403-V1407 WeakPolarHBondContact O-CB 3.47Å; I1403-V1407 WeakPolarHBondContact O-CG2 3.29Å; I1403-V1407 PolarHBondContact O-N 3.39Å |
| 1404 | L | 76.8 | Confident | 64.9 | Low | 23 Ų | 23 | 52.3 Ų | 52.3 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | 175.1 | 177.1 | 61.2 | 0 | 0 | 0 | 111.4 | W1378 E1400 D1401 V1407 L1408 V1449 | W1378-L1404 HydrophobicContact CD2-CD1 4.01Å; W1378-L1404 HydrophobicContact CE3-CD1 3.54Å; W1378-L1404 HydrophobicContact CH2-CB 3.77Å; W1378-L1404 HydrophobicContact CH2-CD1 3.96Å; W1378-L1404 HydrophobicContact CH2-CG 4.48Å; W1378-L1404 HydrophobicContact CZ2-CB 3.73Å; W1378-L1404 HydrophobicContact CZ2-CD1 4.36Å; W1378-L1404 HydrophobicContact CZ3-CB 4.26Å; W1378-L1404 HydrophobicContact CZ3-CD1 3.51Å; W1378-L1404 HydrophobicContact CZ3-CG 4.49Å; E1400-L1404 VanDerWaalsContact O-CB 3.31Å; E1400-L1404 WeakPolarHBondContact O-CB 3.38Å; E1400-L1404 PolarHBondContact O-N 2.95Å; D1401-L1404 PolarHBondContact O-N 2.99Å; L1404-V1407 PolarHBondContact O-N 3.08Å; L1404-L1408 HydrophobicContact CD1-CD1 3.8Å; L1404-L1408 HydrophobicContact CD1-CG 3.96Å; L1404-L1408 HydrophobicContact CG-CD1 3.91Å; L1404-L1408 HydrophobicContact CG-CG 4.44Å; L1404-L1408 WeakPolarHBondContact O-CB 3.14Å; L1404-L1408 WeakPolarHBondContact O-CG 3.3Å; L1404-L1408 PolarHBondContact O-N 2.85Å; L1404-V1449 HydrophobicContact CD2-CG2 4.28Å |
| 1405 | S | 73.6 | Confident | 67 | Low | 69 Ų | 69 | 44 Ų | 44 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 174.9 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | D1401 E1402 I1403 T1409 | D1401-S1405 PolarHBondContact O-N 3.32Å; E1402-S1405 PolarHBondContact O-N 3.14Å; I1403-S1405 PolarHBondContact O-N 2.75Å; S1405-T1409 WeakPolarHBondContact O-CB 3.34Å; S1405-T1409 WeakPolarHBondContact O-CG2 3.42Å; S1405-T1409 PolarHBondContact O-N 3.12Å; S1405-T1409 PolarHBondContact O-OG1 3Å |
| 1406 | I | 73.2 | Confident | 69.1 | Low | 24 Ų | 24 | 42.5 Ų | 42.5 | 12% | 0.123 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.2 | -36.8 | 177.3 | -64.7 | 165.3 | 0 | 0 | 0 | 111.5 | L1296 F1299 P1303 E1402 I1403 T1409 I1410 | L1296-I1406 HydrophobicContact CD1-CD1 4.2Å; F1299-I1406 HydrophobicContact CD1-CB 4.22Å; F1299-I1406 HydrophobicContact CD1-CD1 3.82Å; F1299-I1406 HydrophobicContact CD1-CG2 3.76Å; F1299-I1406 HydrophobicContact CE1-CB 3.79Å; F1299-I1406 HydrophobicContact CE1-CD1 4.23Å; F1299-I1406 HydrophobicContact CE1-CG2 3.39Å; F1299-I1406 HydrophobicContact CZ-CG2 4.05Å; P1303-I1406 HydrophobicContact CG-CG2 4.17Å; E1402-I1406 WeakPolarHBondContact O-CG1 3.45Å; E1402-I1406 PolarHBondContact O-N 3.48Å; I1403-I1406 PolarHBondContact O-N 3.11Å; I1406-T1409 WeakPolarHBondContact CA-OG1 3.39Å; I1406-T1409 PolarHBondContact O-OG1 3.43Å; I1406-T1409 VanDerWaalsContact O-OG1 3.09Å; I1406-I1410 HydrophobicContact CG2-CD1 3.98Å; I1406-I1410 WeakPolarHBondContact O-CB 3.14Å; I1406-I1410 WeakPolarHBondContact O-CD1 3.2Å; I1406-I1410 WeakPolarHBondContact O-CG1 3.35Å; I1406-I1410 PolarHBondContact O-N 3.09Å |
| 1407 | V | 76.5 | Confident | 71 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.1 | -45.2 | 175.8 | 170 | 0 | 0 | 0 | 0 | 111.4 | F1299 A1371 L1374 W1378 I1403 L1404 I1410 I1411 | F1299-V1407 HydrophobicContact CZ-CG2 4.44Å; A1371-V1407 HydrophobicContact CB-CG1 4.23Å; L1374-V1407 HydrophobicContact CD1-CG2 3.74Å; W1378-V1407 HydrophobicContact CH2-CB 4.34Å; W1378-V1407 HydrophobicContact CH2-CG2 4.21Å; W1378-V1407 HydrophobicContact CZ3-CB 4.23Å; W1378-V1407 HydrophobicContact CZ3-CG1 4.21Å; W1378-V1407 HydrophobicContact CZ3-CG2 4.4Å; I1403-V1407 HydrophobicContact CG2-CG2 4.24Å; I1403-V1407 WeakPolarHBondContact O-CB 3.47Å; I1403-V1407 WeakPolarHBondContact O-CG2 3.29Å; I1403-V1407 PolarHBondContact O-N 3.39Å; L1404-V1407 PolarHBondContact O-N 3.08Å; V1407-I1410 PolarHBondContact O-N 2.79Å; V1407-I1411 HydrophobicContact CG1-CD1 3.77Å; V1407-I1411 VanDerWaalsContact O-CG1 3.27Å; V1407-I1411 WeakPolarHBondContact O-CG1 3.27Å; V1407-I1411 PolarHBondContact O-N 3.17Å |
| 1408 | L | 80.6 | Confident | 72.1 | Confident | 5 Ų | 5 | 38.3 Ų | 38.3 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 178.1 | -72.6 | 171.6 | 0 | 0 | 0 | 112.1 | L1404 I1411 E1412 L1436 V1449 I1452 | L1404-L1408 HydrophobicContact CD1-CD1 3.8Å; L1404-L1408 HydrophobicContact CD1-CG 3.96Å; L1404-L1408 HydrophobicContact CG-CD1 3.91Å; L1404-L1408 HydrophobicContact CG-CG 4.44Å; L1404-L1408 WeakPolarHBondContact O-CB 3.14Å; L1404-L1408 WeakPolarHBondContact O-CG 3.3Å; L1404-L1408 PolarHBondContact O-N 2.85Å; L1408-I1411 PolarHBondContact O-N 3.42Å; L1408-E1412 WeakPolarHBondContact O-CB 3.5Å; L1408-E1412 PolarHBondContact O-N 3.02Å; L1408-L1436 HydrophobicContact CD2-CD2 4.19Å; L1408-V1449 HydrophobicContact CD1-CB 4.46Å; L1408-V1449 HydrophobicContact CD1-CG1 3.94Å; L1408-V1449 HydrophobicContact CD1-CG2 4.12Å; L1408-I1452 HydrophobicContact CB-CG2 4.19Å; L1408-I1452 HydrophobicContact CD2-CG2 4.49Å |
| 1409 | T | 76.3 | Confident | 72.5 | Confident | 60 Ų | 60 | 42.1 Ų | 42.1 | 37% | 0.368 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.7 | -36.4 | 174.3 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | S1405 I1406 I1411 E1412 D1413 | S1405-T1409 WeakPolarHBondContact O-CB 3.34Å; S1405-T1409 WeakPolarHBondContact O-CG2 3.42Å; S1405-T1409 PolarHBondContact O-N 3.12Å; S1405-T1409 PolarHBondContact O-OG1 3Å; I1406-T1409 WeakPolarHBondContact CA-OG1 3.39Å; I1406-T1409 PolarHBondContact O-OG1 3.43Å; I1406-T1409 VanDerWaalsContact O-OG1 3.09Å; T1409-I1411 VanDerWaalsContact C-N 3.31Å; T1409-I1411 PolarHBondContact O-N 3.38Å; T1409-E1412 PolarHBondContact O-N 3.1Å; T1409-D1413 WeakPolarHBondContact O-CB 3.45Å; T1409-D1413 PolarHBondContact O-N 3.37Å |
| 1410 | I | 74.3 | Confident | 72.6 | Confident | 13 Ų | 13 | 40.2 Ų | 40.2 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 170.2 | -72.7 | 166.3 | 0 | 0 | 0 | 111.2 | L1302 P1303 F1317 I1406 V1407 I1414 | L1302-I1410 HydrophobicContact CB-CD1 4.29Å; P1303-I1410 HydrophobicContact CG-CD1 4.32Å; P1303-I1410 HydrophobicContact CG-CG1 3.97Å; F1317-I1410 HydrophobicContact CZ-CG2 4.21Å; I1406-I1410 HydrophobicContact CG2-CD1 3.98Å; I1406-I1410 WeakPolarHBondContact O-CB 3.14Å; I1406-I1410 WeakPolarHBondContact O-CD1 3.2Å; I1406-I1410 WeakPolarHBondContact O-CG1 3.35Å; I1406-I1410 PolarHBondContact O-N 3.09Å; V1407-I1410 PolarHBondContact O-N 2.79Å; I1410-I1414 HydrophobicContact CG2-CD1 4.07Å; I1410-I1414 WeakPolarHBondContact O-CD1 3.38Å; I1410-I1414 WeakPolarHBondContact O-CG1 3.2Å; I1410-I1414 PolarHBondContact O-N 3.11Å; I1410-I1414 VanDerWaalsContact O-N 3.09Å |
| 1411 | I | 78.1 | Confident | 72.8 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72.8 | -36.7 | 178.7 | -62.4 | 163.7 | 0 | 0 | 0 | 111.3 | L1375 V1407 L1408 T1409 I1414 S1415 I1432 L1436 I1456 | L1375-I1411 HydrophobicContact CD1-CD1 3.92Å; L1375-I1411 HydrophobicContact CD2-CD1 4.49Å; V1407-I1411 HydrophobicContact CG1-CD1 3.77Å; V1407-I1411 VanDerWaalsContact O-CG1 3.27Å; V1407-I1411 WeakPolarHBondContact O-CG1 3.27Å; V1407-I1411 PolarHBondContact O-N 3.17Å; L1408-I1411 PolarHBondContact O-N 3.42Å; T1409-I1411 VanDerWaalsContact C-N 3.31Å; T1409-I1411 PolarHBondContact O-N 3.38Å; I1411-I1414 WeakPolarHBondContact O-CB 3.24Å; I1411-I1414 PolarHBondContact O-N 2.93Å; I1411-S1415 PolarHBondContact O-N 2.95Å; I1411-I1432 HydrophobicContact CD1-CG2 4.24Å; I1411-I1432 HydrophobicContact CG1-CD1 4.46Å; I1411-I1432 HydrophobicContact CG2-CG2 3.9Å; I1411-L1436 HydrophobicContact CG2-CD1 4.22Å; I1411-I1456 HydrophobicContact CB-CD1 4.29Å; I1411-I1456 HydrophobicContact CG2-CD1 3.93Å; I1411-I1456 HydrophobicContact CG2-CG2 3.87Å |
| 1412 | E | 78.5 | Confident | 73 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 173.8 | -168.3 | 178.5 | 173.7 | 0 | 0 | 111.2 | L1408 T1409 I1414 S1415 Q1416 K1455 I1456 | L1408-E1412 WeakPolarHBondContact O-CB 3.5Å; L1408-E1412 PolarHBondContact O-N 3.02Å; T1409-E1412 PolarHBondContact O-N 3.1Å; E1412-I1414 PolarHBondContact O-N 3.19Å; E1412-S1415 WeakPolarHBondContact O-CB 3.3Å; E1412-S1415 PolarHBondContact O-N 3.43Å; E1412-S1415 PolarHBondContact O-OG 3.34Å; E1412-Q1416 PolarHBondContact O-N 2.87Å; E1412-Q1416 VanDerWaalsContact O-N 3.13Å; E1412-K1455 WeakPolarHBondContact OE1-CE 3.42Å; E1412-K1455 IonicContact OE1-NZ 2.69Å; E1412-K1455 PolarHBondContact OE1-NZ 3.36Å; E1412-I1456 HydrophobicContact CB-CD1 4.38Å; E1412-I1456 HydrophobicContact CB-CG1 4.29Å |
| 1413 | D | 74.8 | Confident | 72.8 | Confident | 52 Ų | 52 | 43.6 Ų | 43.6 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -53.7 | -38.7 | 171.7 | -107 | 17 | 0 | 0 | 0 | 111.6 | T1409 Q1417 | T1409-D1413 WeakPolarHBondContact O-CB 3.45Å; T1409-D1413 PolarHBondContact O-N 3.37Å; D1413-Q1417 WeakPolarHBondContact O-CG 3.35Å; D1413-Q1417 PolarHBondContact O-NE2 3.04Å |
| 1414 | I | 73.8 | Confident | 72.6 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.3 | -46.5 | 174.4 | -66.7 | 160.3 | 0 | 0 | 0 | 110.3 | F1317 L1368 I1410 I1411 E1412 Q1416 Q1417 L1420 V1421 L1428 | F1317-I1414 HydrophobicContact CD1-CD1 4.24Å; F1317-I1414 HydrophobicContact CE1-CD1 3.43Å; F1317-I1414 VanDerWaalsContact CE1-CD1 3.43Å; F1317-I1414 HydrophobicContact CE1-CG1 4.21Å; F1317-I1414 HydrophobicContact CE2-CD1 4.41Å; F1317-I1414 HydrophobicContact CE2-CG1 4.34Å; F1317-I1414 HydrophobicContact CZ-CD1 3.54Å; F1317-I1414 HydrophobicContact CZ-CG1 3.9Å; L1368-I1414 HydrophobicContact CD2-CD1 4.11Å; I1410-I1414 HydrophobicContact CG2-CD1 4.07Å; I1410-I1414 WeakPolarHBondContact O-CD1 3.38Å; I1410-I1414 WeakPolarHBondContact O-CG1 3.2Å; I1410-I1414 PolarHBondContact O-N 3.11Å; I1410-I1414 VanDerWaalsContact O-N 3.09Å; I1411-I1414 WeakPolarHBondContact O-CB 3.24Å; I1411-I1414 PolarHBondContact O-N 2.93Å; E1412-I1414 PolarHBondContact O-N 3.19Å; I1414-Q1416 PolarHBondContact O-N 2.72Å; I1414-Q1417 WeakPolarHBondContact O-CB 3.41Å; I1414-Q1417 PolarHBondContact O-N 2.66Å; I1414-L1420 HydrophobicContact CB-CD2 4.45Å; I1414-L1420 HydrophobicContact CG1-CD2 4.14Å; I1414-L1420 HydrophobicContact CG2-CD2 4.03Å; I1414-L1420 HydrophobicContact CG2-CG 4.3Å; I1414-V1421 HydrophobicContact CG2-CG2 4.45Å; I1414-V1421 WeakPolarHBondContact O-CG2 3.38Å; I1414-L1428 HydrophobicContact CG2-CD1 4.03Å; I1414-L1428 HydrophobicContact CG2-CD2 3.95Å |
| 1415 | S | 74.5 | Confident | 72.3 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -31.8 | -176.5 | 78.1 | 0 | 0 | 0 | 0 | 113.8 | I1411 E1412 Q1417 N1459 | I1411-S1415 PolarHBondContact O-N 2.95Å; E1412-S1415 WeakPolarHBondContact O-CB 3.3Å; E1412-S1415 PolarHBondContact O-N 3.43Å; E1412-S1415 PolarHBondContact O-OG 3.34Å; S1415-Q1417 PolarHBondContact O-N 3.04Å; S1415-N1459 PolarHBondContact OG-ND2 3.02Å |
| 1416 | Q | 75.6 | Confident | 71.9 | Confident | 122 Ų | 122 | 46.9 Ų | 46.9 | 57% | 0.57 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.9 | 177.2 | -64.1 | 177.2 | 24.5 | 0 | 0 | 113.4 | E1412 I1414 | E1412-Q1416 PolarHBondContact O-N 2.87Å; E1412-Q1416 VanDerWaalsContact O-N 3.13Å; I1414-Q1416 PolarHBondContact O-N 2.72Å |
| 1417 | Q | 69.4 | Low | 71.5 | Confident | 39 Ų | 39 | 47.5 Ų | 47.5 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | trans | -101.5 | 83.4 | -175.9 | -66.8 | 173.2 | 57.5 | 0 | 0 | 111.5 | D1413 I1414 S1415 N1419 L1420 V1421 | D1413-Q1417 WeakPolarHBondContact O-CG 3.35Å; D1413-Q1417 PolarHBondContact O-NE2 3.04Å; I1414-Q1417 WeakPolarHBondContact O-CB 3.41Å; I1414-Q1417 PolarHBondContact O-N 2.66Å; S1415-Q1417 PolarHBondContact O-N 3.04Å; Q1417-N1419 VanDerWaalsContact C-N 3.29Å; Q1417-N1419 PolarHBondContact O-N 2.93Å; Q1417-N1419 VanDerWaalsContact O-N 3.11Å; Q1417-L1420 HydrophobicContact CB-CB 3.77Å; Q1417-L1420 HydrophobicContact CB-CD2 4.47Å; Q1417-L1420 WeakPolarHBondContact O-CA 3.28Å; Q1417-L1420 WeakPolarHBondContact O-CB 3.13Å; Q1417-L1420 PolarHBondContact O-N 2.96Å; Q1417-V1421 WeakPolarHBondContact O-CB 3.34Å; Q1417-V1421 WeakPolarHBondContact O-CG2 3.28Å; Q1417-V1421 PolarHBondContact O-N 3.46Å | ||
| 1418 | T | 67.8 | Low | 71.3 | Confident | 75 Ų | 75 | 47.5 Ų | 47.5 | 46% | 0.46 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -38.1 | -54.9 | 176.8 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | L1420 V1421 E1422 V1463 | T1418-L1420 VanDerWaalsContact C-N 3.26Å; T1418-L1420 PolarHBondContact O-N 3.41Å; T1418-V1421 PolarHBondContact O-N 2.74Å; T1418-E1422 WeakPolarHBondContact O-CB 3.12Å; T1418-E1422 PolarHBondContact O-N 2.92Å; T1418-V1463 HydrophobicContact CG2-CG2 4.05Å |
| 1419 | N | 65.6 | Low | 70.8 | Confident | 105 Ų | 105 | 47.3 Ų | 47.3 | 56% | 0.561 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.3 | -21.9 | -179.2 | -83.6 | -106.9 | 0 | 0 | 0 | 115.1 | Q1417 K1423 | Q1417-N1419 VanDerWaalsContact C-N 3.29Å; Q1417-N1419 PolarHBondContact O-N 2.93Å; Q1417-N1419 VanDerWaalsContact O-N 3.11Å; N1419-K1423 WeakPolarHBondContact O-CB 3.31Å; N1419-K1423 WeakPolarHBondContact O-CD 3.15Å; N1419-K1423 VanDerWaalsContact O-CG 3.27Å; N1419-K1423 WeakPolarHBondContact O-CG 3.41Å |
| 1420 | L | 65.5 | Low | 70.3 | Confident | 13 Ų | 13 | 44.9 Ų | 44.9 | 7% | 0.068 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -92.7 | -41.7 | 176.4 | -179.6 | 59.3 | 0 | 0 | 0 | 110.4 | F1317 Y1318 I1414 Q1417 T1418 E1422 K1423 R1424 | F1317-L1420 HydrophobicContact CD2-CD2 4.29Å; Y1318-L1420 HydrophobicContact CE2-CD1 3.53Å; I1414-L1420 HydrophobicContact CB-CD2 4.45Å; I1414-L1420 HydrophobicContact CG1-CD2 4.14Å; I1414-L1420 HydrophobicContact CG2-CD2 4.03Å; I1414-L1420 HydrophobicContact CG2-CG 4.3Å; Q1417-L1420 HydrophobicContact CB-CB 3.77Å; Q1417-L1420 HydrophobicContact CB-CD2 4.47Å; Q1417-L1420 WeakPolarHBondContact O-CA 3.28Å; Q1417-L1420 WeakPolarHBondContact O-CB 3.13Å; Q1417-L1420 PolarHBondContact O-N 2.96Å; T1418-L1420 VanDerWaalsContact C-N 3.26Å; T1418-L1420 PolarHBondContact O-N 3.41Å; L1420-E1422 VanDerWaalsContact C-N 3.34Å; L1420-K1423 PolarHBondContact O-N 3.06Å; L1420-R1424 HydrophobicContact CD1-CG 4.31Å; L1420-R1424 PolarHBondContact O-N 3.17Å |
| 1421 | V | 68.7 | Low | 69.9 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 175.6 | 169 | 0 | 0 | 0 | 0 | 111.2 | I1414 Q1417 T1418 K1425 L1428 L1460 V1463 F1464 | I1414-V1421 HydrophobicContact CG2-CG2 4.45Å; I1414-V1421 WeakPolarHBondContact O-CG2 3.38Å; Q1417-V1421 WeakPolarHBondContact O-CB 3.34Å; Q1417-V1421 WeakPolarHBondContact O-CG2 3.28Å; Q1417-V1421 PolarHBondContact O-N 3.46Å; T1418-V1421 PolarHBondContact O-N 2.74Å; V1421-K1425 WeakPolarHBondContact O-CA 3.39Å; V1421-K1425 WeakPolarHBondContact O-CB 3.37Å; V1421-K1425 PolarHBondContact O-N 3.36Å; V1421-L1428 HydrophobicContact CB-CD1 4.34Å; V1421-L1428 HydrophobicContact CG2-CD1 4.2Å; V1421-L1460 HydrophobicContact CG1-CD2 3.66Å; V1421-L1460 HydrophobicContact CG2-CD2 4.22Å; V1421-V1463 HydrophobicContact CB-CG1 4.25Å; V1421-V1463 HydrophobicContact CG1-CB 4.06Å; V1421-V1463 HydrophobicContact CG1-CG1 3.64Å; V1421-F1464 HydrophobicContact CB-CE1 4.5Å; V1421-F1464 HydrophobicContact CG1-CD1 4.17Å; V1421-F1464 HydrophobicContact CG1-CE1 3.3Å; V1421-F1464 HydrophobicContact CG1-CE2 4.21Å; V1421-F1464 HydrophobicContact CG1-CZ 3.33Å; V1421-F1464 WeakPolarHBondContact O-CE1 3.47Å; V1421-F1464 WeakPolarHBondContact O-CZ 3.33Å |
| 1422 | E | 68.4 | Low | 69.7 | Low | 126 Ų | 126 | 45.6 Ų | 45.6 | 59% | 0.589 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -68.3 | -43.6 | 176.1 | -174.8 | 176 | -139.8 | 0 | 0 | 112.6 | T1418 L1420 K1425 | T1418-E1422 WeakPolarHBondContact O-CB 3.12Å; T1418-E1422 PolarHBondContact O-N 2.92Å; L1420-E1422 VanDerWaalsContact C-N 3.34Å; E1422-K1425 WeakPolarHBondContact O-CB 3.22Å; E1422-K1425 PolarHBondContact O-N 2.9Å |
| 1423 | K | 66.3 | Low | 69.6 | Low | 141 Ų | 141 | 44.1 Ų | 44.1 | 61% | 0.613 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -78.2 | -25.8 | -177.7 | -73.3 | -178.4 | -175.9 | 178.6 | 0 | 115 | Y1318 N1419 L1420 | Y1318-K1423 HydrophobicContact CE1-CB 4.42Å; Y1318-K1423 WeakPolarHBondContact OH-CB 3.49Å; N1419-K1423 WeakPolarHBondContact O-CB 3.31Å; N1419-K1423 WeakPolarHBondContact O-CD 3.15Å; N1419-K1423 VanDerWaalsContact O-CG 3.27Å; N1419-K1423 WeakPolarHBondContact O-CG 3.41Å; L1420-K1423 PolarHBondContact O-N 3.06Å |
| 1424 | R | 65.8 | Low | 69.3 | Low | 40 Ų | 40 | 43 Ų | 43 | 15% | 0.151 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 27.9 | 171.3 | -63.9 | -66.5 | -106.5 | 154.1 | 0.2 | 111.3 | F1317 Y1318 L1368 L1420 Q1426 D1427 L1428 | F1317-R1424 PolarHBondContact O-NE 3.28Å; F1317-R1424 PolarHBondContact O-NH2 3.33Å; Y1318-R1424 HydrophobicContact CD1-CG 4.42Å; Y1318-R1424 HydrophobicContact CE1-CG 3.85Å; Y1318-R1424 HydrophobicContact CE2-CG 4.01Å; L1368-R1424 HydrophobicContact CD1-CB 4.39Å; L1420-R1424 HydrophobicContact CD1-CG 4.31Å; L1420-R1424 PolarHBondContact O-N 3.17Å; R1424-Q1426 VanDerWaalsContact C-N 3.27Å; R1424-Q1426 PolarHBondContact O-N 3.48Å; R1424-D1427 HydrophobicContact CB-CB 4.42Å; R1424-D1427 WeakPolarHBondContact CD-OD2 3.43Å; R1424-D1427 VanDerWaalsContact CZ-CG 3.42Å; R1424-D1427 IonicContact CZ-OD1 3.15Å; R1424-D1427 VanDerWaalsContact CZ-OD1 3.27Å; R1424-D1427 IonicContact CZ-OD2 2.7Å; R1424-D1427 IonicContact NE-OD2 2.78Å; R1424-D1427 IonicContact NH1-OD1 2.74Å; R1424-D1427 PolarHBondContact NH1-OD1 2.97Å; R1424-D1427 IonicContact NH1-OD2 2.67Å; R1424-D1427 PolarHBondContact NH1-OD2 3.41Å; R1424-D1427 IonicContact NH2-OD1 3.84Å; R1424-D1427 PolarHBondContact O-N 3.14Å; R1424-D1427 VanDerWaalsContact O-N 3.12Å; R1424-L1428 HydrophobicContact CB-CD1 4.39Å; R1424-L1428 WeakPolarHBondContact O-CB 3.5Å; R1424-L1428 PolarHBondContact O-N 3.13Å |
| 1425 | K | 70.2 | Confident | 69.1 | Low | 45 Ų | 45 | 43.2 Ų | 43.2 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53 | -44.1 | -178.9 | -177.9 | 160 | -173.9 | 177.6 | 0 | 111.9 | V1421 E1422 I1429 F1464 Y1622 | V1421-K1425 WeakPolarHBondContact O-CA 3.39Å; V1421-K1425 WeakPolarHBondContact O-CB 3.37Å; V1421-K1425 PolarHBondContact O-N 3.36Å; E1422-K1425 WeakPolarHBondContact O-CB 3.22Å; E1422-K1425 PolarHBondContact O-N 2.9Å; K1425-I1429 HydrophobicContact CG-CD1 3.68Å; K1425-I1429 VanDerWaalsContact O-CB 3.26Å; K1425-I1429 WeakPolarHBondContact O-CB 3.23Å; K1425-I1429 WeakPolarHBondContact O-CD1 3.36Å; K1425-I1429 WeakPolarHBondContact O-CG1 3.46Å; K1425-I1429 PolarHBondContact O-N 2.68Å; K1425-F1464 HydrophobicContact CB-CE1 3.89Å; K1425-F1464 HydrophobicContact CB-CZ 3.96Å; K1425-F1464 HydrophobicContact CD-CD1 3.48Å; K1425-F1464 VanDerWaalsContact CD-CD1 3.48Å; K1425-F1464 HydrophobicContact CD-CE1 3.33Å; K1425-F1464 HydrophobicContact CD-CG 4.2Å; K1425-F1464 HydrophobicContact CD-CZ 3.97Å; K1425-F1464 VanDerWaalsContact CE-CG 3.48Å; K1425-F1464 HydrophobicContact CG-CD1 4.02Å; K1425-F1464 HydrophobicContact CG-CE1 3.42Å; K1425-F1464 VanDerWaalsContact CG-CE1 3.42Å; K1425-F1464 HydrophobicContact CG-CE2 4.17Å; K1425-F1464 HydrophobicContact CG-CZ 3.51Å; K1425-Y1622 HydrophobicContact CD-CE2 4.16Å; K1425-Y1622 WeakPolarHBondContact CD-OH 3.48Å; K1425-Y1622 WeakPolarHBondContact CE-OH 3.32Å; K1425-Y1622 HydrophobicContact CG-CE1 4.06Å; K1425-Y1622 HydrophobicContact CG-CE2 4.03Å; K1425-Y1622 WeakPolarHBondContact CG-OH 3.29Å |
| 1426 | Q | 65.3 | Low | 69.3 | Low | 77 Ų | 77 | 43 Ų | 43 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.6 | -53 | 174.8 | -178.4 | 168.3 | -21 | 0 | 0 | 112.4 | R1424 L1428 I1429 C1430 Y1622 S1625 | R1424-Q1426 VanDerWaalsContact C-N 3.27Å; R1424-Q1426 PolarHBondContact O-N 3.48Å; Q1426-L1428 PolarHBondContact O-N 3.3Å; Q1426-I1429 PolarHBondContact O-N 3.02Å; Q1426-C1430 VanDerWaalsContact O-CB 3.28Å; Q1426-C1430 WeakPolarHBondContact O-CB 3.28Å; Q1426-C1430 PolarHBondContact O-N 2.97Å; Q1426-C1430 PolarHBondContact O-SG 3.26Å; Q1426-Y1622 HydrophobicContact CB-CD1 4.46Å; Q1426-S1625 VanDerWaalsContact CD-CB 3.44Å; Q1426-S1625 VanDerWaalsContact NE2-CB 3.33Å |
| 1427 | D | 66.2 | Low | 69.1 | Low | 37 Ų | 37 | 38.2 Ų | 38.2 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -37.5 | -178.8 | -51.5 | -106.1 | 0 | 0 | 0 | 113 | L1368 R1424 C1430 L1431 | L1368-D1427 HydrophobicContact CD1-CB 3.61Å; R1424-D1427 HydrophobicContact CB-CB 4.42Å; R1424-D1427 WeakPolarHBondContact CD-OD2 3.43Å; R1424-D1427 VanDerWaalsContact CZ-CG 3.42Å; R1424-D1427 IonicContact CZ-OD1 3.15Å; R1424-D1427 VanDerWaalsContact CZ-OD1 3.27Å; R1424-D1427 IonicContact CZ-OD2 2.7Å; R1424-D1427 IonicContact NE-OD2 2.78Å; R1424-D1427 IonicContact NH1-OD1 2.74Å; R1424-D1427 PolarHBondContact NH1-OD1 2.97Å; R1424-D1427 IonicContact NH1-OD2 2.67Å; R1424-D1427 PolarHBondContact NH1-OD2 3.41Å; R1424-D1427 IonicContact NH2-OD1 3.84Å; R1424-D1427 PolarHBondContact O-N 3.14Å; R1424-D1427 VanDerWaalsContact O-N 3.12Å; D1427-C1430 PolarHBondContact O-N 3.38Å; D1427-L1431 HydrophobicContact CB-CD1 4.32Å; D1427-L1431 WeakPolarHBondContact O-CA 3.37Å; D1427-L1431 VanDerWaalsContact O-CB 3.24Å; D1427-L1431 WeakPolarHBondContact O-CB 3.45Å; D1427-L1431 PolarHBondContact O-N 3.39Å |
| 1428 | L | 71.3 | Confident | 69 | Low | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -66.4 | -44.4 | 176.4 | -80.4 | 159.9 | 0 | 0 | 0 | 111.4 | I1414 V1421 R1424 Q1426 C1430 I1432 L1433 L1460 | I1414-L1428 HydrophobicContact CG2-CD1 4.03Å; I1414-L1428 HydrophobicContact CG2-CD2 3.95Å; V1421-L1428 HydrophobicContact CB-CD1 4.34Å; V1421-L1428 HydrophobicContact CG2-CD1 4.2Å; R1424-L1428 HydrophobicContact CB-CD1 4.39Å; R1424-L1428 WeakPolarHBondContact O-CB 3.5Å; R1424-L1428 PolarHBondContact O-N 3.13Å; Q1426-L1428 PolarHBondContact O-N 3.3Å; L1428-C1430 VanDerWaalsContact C-N 3.33Å; L1428-I1432 HydrophobicContact CD2-CB 4.46Å; L1428-I1432 HydrophobicContact CD2-CD1 4.05Å; L1428-I1432 HydrophobicContact CD2-CG2 4.49Å; L1428-I1432 PolarHBondContact O-N 3.32Å; L1428-L1433 WeakPolarHBondContact O-CB 3.24Å; L1428-L1433 PolarHBondContact O-N 3.4Å; L1428-L1460 HydrophobicContact CD1-CD2 4.48Å |
| 1429 | I | 70.6 | Confident | 69.2 | Low | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -70.2 | -28.6 | 178.2 | -68.8 | 170.5 | 0 | 0 | 0 | 112 | K1425 Q1426 L1433 F1464 L1619 Y1622 | K1425-I1429 HydrophobicContact CG-CD1 3.68Å; K1425-I1429 VanDerWaalsContact O-CB 3.26Å; K1425-I1429 WeakPolarHBondContact O-CB 3.23Å; K1425-I1429 WeakPolarHBondContact O-CD1 3.36Å; K1425-I1429 WeakPolarHBondContact O-CG1 3.46Å; K1425-I1429 PolarHBondContact O-N 2.68Å; Q1426-I1429 PolarHBondContact O-N 3.02Å; I1429-L1433 HydrophobicContact CB-CD2 4.48Å; I1429-L1433 HydrophobicContact CG1-CD2 4.36Å; I1429-L1433 HydrophobicContact CG2-CD2 4.21Å; I1429-F1464 HydrophobicContact CD1-CD2 4.06Å; I1429-F1464 HydrophobicContact CD1-CE2 3.77Å; I1429-F1464 HydrophobicContact CD1-CZ 4.35Å; I1429-F1464 HydrophobicContact CG1-CD2 4.45Å; I1429-F1464 HydrophobicContact CG1-CE2 3.85Å; I1429-L1619 HydrophobicContact CG2-CD2 3.74Å; I1429-Y1622 HydrophobicContact CD1-CD1 4.46Å; I1429-Y1622 HydrophobicContact CD1-CD2 3.4Å; I1429-Y1622 HydrophobicContact CD1-CE2 3.6Å; I1429-Y1622 HydrophobicContact CD1-CG 3.94Å; I1429-Y1622 HydrophobicContact CG2-CD2 4.34Å; I1429-Y1622 HydrophobicContact CG2-CG 4.15Å |
| 1430 | C | 64.7 | Low | 69.4 | Low | 10 Ų | 10 | 32.1 Ų | 32.1 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -97.8 | -36.9 | -176.1 | -58.1 | 0 | 0 | 0 | 0 | 114.9 | Q1426 D1427 L1428 P1434 C1629 | Q1426-C1430 VanDerWaalsContact O-CB 3.28Å; Q1426-C1430 WeakPolarHBondContact O-CB 3.28Å; Q1426-C1430 PolarHBondContact O-N 2.97Å; Q1426-C1430 PolarHBondContact O-SG 3.26Å; D1427-C1430 PolarHBondContact O-N 3.38Å; L1428-C1430 VanDerWaalsContact C-N 3.33Å; C1430-P1434 WeakPolarHBondContact O-CG 3.47Å; C1430-C1629 HydrophobicContact CB-CB 4.19Å; C1430-C1629 WeakPolarHBondContact CB-SG 3.25Å |
| 1431 | L | 67.1 | Low | 69.4 | Low | 30 Ų | 30 | 34.2 Ų | 34.2 | 16% | 0.157 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -101.1 | -24.5 | -174.1 | -59.1 | 177.4 | 0 | 0 | 0 | 114 | L1368 S1372 D1427 | L1368-L1431 HydrophobicContact CB-CD1 4.31Å; S1372-L1431 WeakPolarHBondContact CB-O 3.5Å; S1372-L1431 PolarHBondContact OG-O 3.15Å; D1427-L1431 HydrophobicContact CB-CD1 4.32Å; D1427-L1431 WeakPolarHBondContact O-CA 3.37Å; D1427-L1431 VanDerWaalsContact O-CB 3.24Å; D1427-L1431 WeakPolarHBondContact O-CB 3.45Å; D1427-L1431 PolarHBondContact O-N 3.39Å |
| 1432 | I | 74.3 | Confident | 69.3 | Low | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -117.9 | -46.5 | -170.4 | -71.4 | 176.5 | 0 | 0 | 0 | 111.9 | L1368 L1375 I1411 L1428 P1434 G1435 L1436 | L1368-I1432 HydrophobicContact CB-CD1 4.42Å; L1368-I1432 HydrophobicContact CD2-CD1 3.76Å; L1375-I1432 HydrophobicContact CD1-CB 4.43Å; L1375-I1432 HydrophobicContact CD1-CG1 4.26Å; L1375-I1432 HydrophobicContact CD1-CG2 4.18Å; I1411-I1432 HydrophobicContact CD1-CG2 4.24Å; I1411-I1432 HydrophobicContact CG1-CD1 4.46Å; I1411-I1432 HydrophobicContact CG2-CG2 3.9Å; L1428-I1432 HydrophobicContact CD2-CB 4.46Å; L1428-I1432 HydrophobicContact CD2-CD1 4.05Å; L1428-I1432 HydrophobicContact CD2-CG2 4.49Å; L1428-I1432 PolarHBondContact O-N 3.32Å; I1432-P1434 VanDerWaalsContact C-CD 3.45Å; I1432-P1434 VanDerWaalsContact C-N 3.32Å; I1432-G1435 PolarHBondContact O-N 3.47Å; I1432-L1436 HydrophobicContact CG2-CD1 3.59Å; I1432-L1436 HydrophobicContact CG2-CG 3.93Å; I1432-L1436 WeakPolarHBondContact O-CG 3.39Å; I1432-L1436 PolarHBondContact O-N 3.02Å |
| 1433 | L | 76.3 | Confident | 68.7 | Low | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.2 | -38.8 | 177.7 | -174.2 | 66.4 | 0 | 0 | 0 | 113.4 | L1428 I1429 G1435 L1436 A1437 I1457 L1460 L1618 | L1428-L1433 WeakPolarHBondContact O-CB 3.24Å; L1428-L1433 PolarHBondContact O-N 3.4Å; I1429-L1433 HydrophobicContact CB-CD2 4.48Å; I1429-L1433 HydrophobicContact CG1-CD2 4.36Å; I1429-L1433 HydrophobicContact CG2-CD2 4.21Å; L1433-G1435 PolarHBondContact O-N 3.01Å; L1433-L1436 PolarHBondContact O-N 3.05Å; L1433-A1437 VanDerWaalsContact O-CB 3.24Å; L1433-A1437 WeakPolarHBondContact O-CB 3.45Å; L1433-A1437 PolarHBondContact O-N 3.21Å; L1433-I1457 HydrophobicContact CD1-CG1 3.95Å; L1433-L1460 HydrophobicContact CD1-CD1 4.36Å; L1433-L1618 HydrophobicContact CD1-CD1 4.47Å; L1433-L1618 HydrophobicContact CD2-CB 4.17Å; L1433-L1618 HydrophobicContact CD2-CD1 4.22Å |
| 1434 | P | 68.8 | Low | 68.2 | Low | 29 Ų | 29 | 35.7 Ų | 35.7 | 19% | 0.188 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66 | -37 | 176 | -23.1 | 36.5 | 0 | 0 | 0 | 113.2 | C1430 I1432 R1438 T1633 | C1430-P1434 WeakPolarHBondContact O-CG 3.47Å; I1432-P1434 VanDerWaalsContact C-CD 3.45Å; I1432-P1434 VanDerWaalsContact C-N 3.32Å; P1434-R1438 VanDerWaalsContact O-CG 3.29Å; P1434-R1438 WeakPolarHBondContact O-CG 3.38Å; P1434-R1438 PolarHBondContact O-N 3.32Å; P1434-T1633 HydrophobicContact CB-CG2 3.8Å |
| 1435 | G | 69.8 | Low | 68.1 | Low | 8 Ų | 8 | 35 Ų | 35 | 8% | 0.082 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.4 | -44.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | I1432 L1433 R1438 L1439 | I1432-G1435 PolarHBondContact O-N 3.47Å; L1433-G1435 PolarHBondContact O-N 3.01Å; G1435-R1438 PolarHBondContact O-N 2.9Å; G1435-L1439 WeakPolarHBondContact O-CG 3.4Å; G1435-L1439 PolarHBondContact O-N 2.7Å |
| 1436 | L | 77.1 | Confident | 68.1 | Low | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 175.3 | -66.6 | 173.7 | 0 | 0 | 0 | 112.4 | L1408 I1411 I1432 L1433 L1439 A1440 C1453 I1456 I1457 | L1408-L1436 HydrophobicContact CD2-CD2 4.19Å; I1411-L1436 HydrophobicContact CG2-CD1 4.22Å; I1432-L1436 HydrophobicContact CG2-CD1 3.59Å; I1432-L1436 HydrophobicContact CG2-CG 3.93Å; I1432-L1436 WeakPolarHBondContact O-CG 3.39Å; I1432-L1436 PolarHBondContact O-N 3.02Å; L1433-L1436 PolarHBondContact O-N 3.05Å; L1436-L1439 PolarHBondContact O-N 2.99Å; L1436-A1440 VanDerWaalsContact O-CB 3.31Å; L1436-A1440 WeakPolarHBondContact O-CB 3.48Å; L1436-A1440 PolarHBondContact O-N 2.91Å; L1436-C1453 HydrophobicContact CD2-CB 4.37Å; L1436-I1456 HydrophobicContact CD1-CB 4.22Å; L1436-I1456 HydrophobicContact CD1-CG2 3.41Å; L1436-I1456 VanDerWaalsContact CD1-CG2 3.41Å; L1436-I1456 HydrophobicContact CD2-CD1 4.23Å; L1436-I1457 HydrophobicContact CB-CD1 4.26Å; L1436-I1457 HydrophobicContact CB-CG1 4.38Å |
| 1437 | A | 71.3 | Confident | 68.1 | Low | 20 Ų | 20 | 35.2 Ų | 35.2 | 17% | 0.165 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1433 A1440 V1441 | L1433-A1437 VanDerWaalsContact O-CB 3.24Å; L1433-A1437 WeakPolarHBondContact O-CB 3.45Å; L1433-A1437 PolarHBondContact O-N 3.21Å; A1437-A1440 PolarHBondContact O-N 3.33Å; A1437-V1441 WeakPolarHBondContact O-CB 3.35Å; A1437-V1441 WeakPolarHBondContact O-CG2 3.36Å; A1437-V1441 PolarHBondContact O-N 2.89Å |
| 1438 | R | 67.7 | Low | 68.1 | Low | 77 Ų | 77 | 39.7 Ų | 39.7 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.7 | -49 | 171.1 | -73.1 | -180 | -161.6 | -165.9 | 13.4 | 111.2 | T1379 P1434 G1435 A1440 V1441 C1442 | T1379-R1438 HydrophobicContact CG2-CB 3.7Å; T1379-R1438 PolarHBondContact O-NH1 2.92Å; P1434-R1438 VanDerWaalsContact O-CG 3.29Å; P1434-R1438 WeakPolarHBondContact O-CG 3.38Å; P1434-R1438 PolarHBondContact O-N 3.32Å; G1435-R1438 PolarHBondContact O-N 2.9Å; R1438-A1440 VanDerWaalsContact C-N 3.32Å; R1438-A1440 PolarHBondContact O-N 3.31Å; R1438-V1441 PolarHBondContact O-N 3.36Å; R1438-C1442 VanDerWaalsContact O-CB 3.31Å; R1438-C1442 WeakPolarHBondContact O-CB 3.34Å; R1438-C1442 PolarHBondContact O-N 3.01Å; R1438-C1442 PolarHBondContact O-SG 2.72Å |
| 1439 | L | 73.3 | Confident | 68.2 | Low | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -34 | 179.5 | -72.5 | 175.6 | 0 | 0 | 0 | 113.6 | L1375 W1378 T1379 G1435 L1436 T1445 R1450 | L1375-L1439 HydrophobicContact CD2-CD1 3.56Å; W1378-L1439 HydrophobicContact CB-CD2 4.48Å; T1379-L1439 HydrophobicContact CG2-CD2 3.86Å; T1379-L1439 HydrophobicContact CG2-CG 3.88Å; G1435-L1439 WeakPolarHBondContact O-CG 3.4Å; G1435-L1439 PolarHBondContact O-N 2.7Å; L1436-L1439 PolarHBondContact O-N 2.99Å; L1439-T1445 HydrophobicContact CD2-CG2 3.77Å; L1439-T1445 PolarHBondContact O-OG1 3.41Å; L1439-R1450 WeakPolarHBondContact O-CG 3.39Å |
| 1440 | A | 69.7 | Low | 68.2 | Low | 10 Ų | 10 | 42.2 Ų | 42.2 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1436 A1437 R1438 R1450 C1453 V1454 I1457 L1611 | L1436-A1440 VanDerWaalsContact O-CB 3.31Å; L1436-A1440 WeakPolarHBondContact O-CB 3.48Å; L1436-A1440 PolarHBondContact O-N 2.91Å; A1437-A1440 PolarHBondContact O-N 3.33Å; R1438-A1440 VanDerWaalsContact C-N 3.32Å; R1438-A1440 PolarHBondContact O-N 3.31Å; A1440-R1450 WeakPolarHBondContact O-CD 3.28Å; A1440-C1453 HydrophobicContact CB-CB 4.14Å; A1440-V1454 HydrophobicContact CB-CG2 4.38Å; A1440-I1457 HydrophobicContact CB-CD1 4.35Å; A1440-L1611 HydrophobicContact CB-CD2 4.42Å |
| 1441 | V | 65.1 | Low | 68.5 | Low | 56 Ų | 56 | 44.2 Ų | 44.2 | 34% | 0.339 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -86.7 | -25.2 | -178.5 | 175.4 | 0 | 0 | 0 | 0 | 112.9 | A1437 R1438 S1443 L1608 L1611 | A1437-V1441 WeakPolarHBondContact O-CB 3.35Å; A1437-V1441 WeakPolarHBondContact O-CG2 3.36Å; A1437-V1441 PolarHBondContact O-N 2.89Å; R1438-V1441 PolarHBondContact O-N 3.36Å; V1441-S1443 PolarHBondContact O-N 3.28Å; V1441-L1608 HydrophobicContact CG1-CD2 4.23Å; V1441-L1608 HydrophobicContact CG2-CD2 4.2Å; V1441-L1611 HydrophobicContact CG2-CD2 3.51Å |
| 1442 | C | 65.5 | Low | 69 | Low | 53 Ų | 53 | 45.2 Ų | 45.2 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | trans | -56.7 | 127.1 | -179.9 | -89.1 | 0 | 0 | 0 | 0 | 112.8 | R1438 N1444 T1445 | R1438-C1442 VanDerWaalsContact O-CB 3.31Å; R1438-C1442 WeakPolarHBondContact O-CB 3.34Å; R1438-C1442 PolarHBondContact O-N 3.01Å; R1438-C1442 PolarHBondContact O-SG 2.72Å; C1442-N1444 PolarHBondContact O-N 3.42Å; C1442-T1445 HydrophobicContact CB-CG2 3.92Å; C1442-T1445 PolarHBondContact O-OG1 3.48Å | ||
| 1443 | S | 55.4 | Low | 69.2 | Low | 96 Ų | 96 | 45.2 Ų | 45.2 | 67% | 0.671 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.6 | 175.3 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | V1441 | V1441-S1443 PolarHBondContact O-N 3.28Š|
| 1444 | N | 57.8 | Low | 69.2 | Low | 149 Ų | 149 | 45.6 Ų | 45.6 | 80% | 0.797 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -0.6 | -167.2 | -59.7 | 6.2 | 0 | 0 | 0 | 113.3 | C1442 | C1442-N1444 PolarHBondContact O-N 3.42Š|
| 1445 | T | 61.7 | Low | 69.7 | Low | 26 Ų | 26 | 48.1 Ų | 48.1 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -89.7 | 141.1 | -178.4 | 47.8 | 0 | 0 | 0 | 0 | 112.3 | L1439 C1442 R1450 | L1439-T1445 HydrophobicContact CD2-CG2 3.77Å; L1439-T1445 PolarHBondContact O-OG1 3.41Å; C1442-T1445 HydrophobicContact CB-CG2 3.92Å; C1442-T1445 PolarHBondContact O-OG1 3.48Å; T1445-R1450 PolarHBondContact O-NE 2.69Å; T1445-R1450 PolarHBondContact O-NH2 3.36Å; T1445-R1450 VanDerWaalsContact OG1-CD 3.25Å; T1445-R1450 WeakPolarHBondContact OG1-CD 3.49Å; T1445-R1450 WeakPolarHBondContact OG1-CG 3.43Å |
| 1446 | K | 70.5 | Confident | 70.3 | Confident | 85 Ų | 85 | 47.8 Ų | 47.8 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | trans | -51.4 | 140.9 | 175.6 | -68.3 | 172.6 | -178.7 | 164.3 | 0 | 110.3 | D1401 E1448 V1449 R1450 | D1401-K1446 IonicContact OD1-NZ 2.84Å; D1401-K1446 PolarHBondContact OD1-NZ 3Å; D1401-K1446 IonicContact OD2-NZ 4Å; D1401-K1446 PolarHBondContact OD2-NZ 3.13Å; K1446-E1448 PolarHBondContact O-N 2.9Å; K1446-V1449 HydrophobicContact CB-CB 4.37Å; K1446-V1449 HydrophobicContact CB-CG2 4.17Å; K1446-V1449 WeakPolarHBondContact O-CB 3.4Å; K1446-V1449 PolarHBondContact O-N 3.14Å; K1446-V1449 VanDerWaalsContact O-N 3.07Å; K1446-R1450 PolarHBondContact O-N 3.41Å | ||
| 1447 | P | 65.2 | Low | 70.4 | Confident | 42 Ų | 42 | 47.9 Ų | 47.9 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -34 | -179.3 | 24.8 | -33.4 | 0 | 0 | 0 | 112.4 | V1449 R1450 S1451 Y1484 | P1447-V1449 PolarHBondContact O-N 3.29Å; P1447-R1450 PolarHBondContact O-N 3.23Å; P1447-S1451 WeakPolarHBondContact O-CB 3.49Å; P1447-S1451 PolarHBondContact O-N 3.43Å; P1447-Y1484 HydrophobicContact CB-CE1 4.02Å; P1447-Y1484 HydrophobicContact CB-CE2 4.36Å; P1447-Y1484 WeakPolarHBondContact CB-OH 3.35Å; P1447-Y1484 HydrophobicContact CG-CE1 4.38Å |
| 1448 | E | 68.1 | Low | 70.6 | Confident | 131 Ų | 131 | 48 Ų | 48 | 61% | 0.612 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -56.6 | -48.1 | 172.6 | -60 | 155.1 | 165.1 | 0 | 0 | 111.5 | K1446 S1451 I1452 | K1446-E1448 PolarHBondContact O-N 2.9Å; E1448-S1451 PolarHBondContact O-N 3.41Å; E1448-I1452 VanDerWaalsContact O-CG1 3.31Å; E1448-I1452 WeakPolarHBondContact O-CG1 3.25Å; E1448-I1452 PolarHBondContact O-N 2.88Å |
| 1449 | V | 71.6 | Confident | 71.2 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 177.4 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L1404 L1408 K1446 P1447 I1452 C1453 | L1404-V1449 HydrophobicContact CD2-CG2 4.28Å; L1408-V1449 HydrophobicContact CD1-CB 4.46Å; L1408-V1449 HydrophobicContact CD1-CG1 3.94Å; L1408-V1449 HydrophobicContact CD1-CG2 4.12Å; K1446-V1449 HydrophobicContact CB-CB 4.37Å; K1446-V1449 HydrophobicContact CB-CG2 4.17Å; K1446-V1449 WeakPolarHBondContact O-CB 3.4Å; K1446-V1449 PolarHBondContact O-N 3.14Å; K1446-V1449 VanDerWaalsContact O-N 3.07Å; P1447-V1449 PolarHBondContact O-N 3.29Å; V1449-I1452 PolarHBondContact O-N 2.84Å; V1449-C1453 WeakPolarHBondContact O-CB 3.22Å; V1449-C1453 PolarHBondContact O-N 3.38Å; V1449-C1453 PolarHBondContact O-SG 2.75Å |
| 1450 | R | 70.4 | Confident | 71.4 | Confident | 40 Ų | 40 | 46.1 Ų | 46.1 | 15% | 0.151 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 175.6 | -72.8 | -172.3 | -81 | 137.4 | 0.1 | 112.2 | L1439 A1440 T1445 K1446 P1447 C1453 V1454 | L1439-R1450 WeakPolarHBondContact O-CG 3.39Å; A1440-R1450 WeakPolarHBondContact O-CD 3.28Å; T1445-R1450 PolarHBondContact O-NE 2.69Å; T1445-R1450 PolarHBondContact O-NH2 3.36Å; T1445-R1450 VanDerWaalsContact OG1-CD 3.25Å; T1445-R1450 WeakPolarHBondContact OG1-CD 3.49Å; T1445-R1450 WeakPolarHBondContact OG1-CG 3.43Å; K1446-R1450 PolarHBondContact O-N 3.41Å; P1447-R1450 PolarHBondContact O-N 3.23Å; R1450-C1453 PolarHBondContact O-N 2.77Å; R1450-V1454 WeakPolarHBondContact O-CB 3.07Å; R1450-V1454 VanDerWaalsContact O-CG2 3.3Å; R1450-V1454 WeakPolarHBondContact O-CG2 3.48Å; R1450-V1454 PolarHBondContact O-N 3.45Å |
| 1451 | S | 72 | Confident | 71.5 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 174.1 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | P1447 E1448 C1453 V1454 K1455 | P1447-S1451 WeakPolarHBondContact O-CB 3.49Å; P1447-S1451 PolarHBondContact O-N 3.43Å; E1448-S1451 PolarHBondContact O-N 3.41Å; S1451-C1453 PolarHBondContact O-N 3.03Å; S1451-V1454 PolarHBondContact O-N 3.41Å; S1451-K1455 VanDerWaalsContact O-CB 3.31Å; S1451-K1455 WeakPolarHBondContact O-CB 3.45Å; S1451-K1455 PolarHBondContact O-N 2.82Å |
| 1452 | I | 76.7 | Confident | 72 | Confident | 52 Ų | 52 | 45.6 Ų | 45.6 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 175.2 | -66.6 | 162.6 | 0 | 0 | 0 | 111.1 | L1408 E1448 V1449 V1454 K1455 I1456 | L1408-I1452 HydrophobicContact CB-CG2 4.19Å; L1408-I1452 HydrophobicContact CD2-CG2 4.49Å; E1448-I1452 VanDerWaalsContact O-CG1 3.31Å; E1448-I1452 WeakPolarHBondContact O-CG1 3.25Å; E1448-I1452 PolarHBondContact O-N 2.88Å; V1449-I1452 PolarHBondContact O-N 2.84Å; I1452-V1454 PolarHBondContact O-N 3.43Å; I1452-K1455 PolarHBondContact O-N 3.24Å; I1452-I1456 HydrophobicContact CG2-CD1 3.74Å; I1452-I1456 HydrophobicContact CG2-CG1 4.46Å; I1452-I1456 WeakPolarHBondContact O-CD1 3.17Å; I1452-I1456 VanDerWaalsContact O-CG1 3.23Å; I1452-I1456 WeakPolarHBondContact O-CG1 3.28Å; I1452-I1456 PolarHBondContact O-N 2.98Å |
| 1453 | C | 79.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 176.6 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | L1436 A1440 V1449 R1450 S1451 I1456 I1457 | L1436-C1453 HydrophobicContact CD2-CB 4.37Å; A1440-C1453 HydrophobicContact CB-CB 4.14Å; V1449-C1453 WeakPolarHBondContact O-CB 3.22Å; V1449-C1453 PolarHBondContact O-N 3.38Å; V1449-C1453 PolarHBondContact O-SG 2.75Å; R1450-C1453 PolarHBondContact O-N 2.77Å; S1451-C1453 PolarHBondContact O-N 3.03Å; C1453-I1456 PolarHBondContact O-N 3.17Å; C1453-I1457 WeakPolarHBondContact O-CB 3.3Å; C1453-I1457 WeakPolarHBondContact O-CD1 3.37Å; C1453-I1457 WeakPolarHBondContact O-CG1 2.9Å; C1453-I1457 PolarHBondContact O-N 3.28Å |
| 1454 | V | 77.4 | Confident | 72.9 | Confident | 11 Ų | 11 | 42 Ų | 42 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -44.9 | 176 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | A1440 R1450 S1451 I1452 I1456 I1457 T1458 L1480 | A1440-V1454 HydrophobicContact CB-CG2 4.38Å; R1450-V1454 WeakPolarHBondContact O-CB 3.07Å; R1450-V1454 VanDerWaalsContact O-CG2 3.3Å; R1450-V1454 WeakPolarHBondContact O-CG2 3.48Å; R1450-V1454 PolarHBondContact O-N 3.45Å; S1451-V1454 PolarHBondContact O-N 3.41Å; I1452-V1454 PolarHBondContact O-N 3.43Å; V1454-I1456 VanDerWaalsContact C-N 3.32Å; V1454-I1456 PolarHBondContact O-N 3.36Å; V1454-I1457 CarbonylContact O-C 3.51Å; V1454-I1457 WeakPolarHBondContact O-CA 3.48Å; V1454-I1457 WeakPolarHBondContact O-CB 3.43Å; V1454-I1457 PolarHBondContact O-N 3.24Å; V1454-T1458 HydrophobicContact CG1-CG2 4.41Å; V1454-T1458 PolarHBondContact O-N 2.96Å; V1454-T1458 PolarHBondContact O-OG1 2.97Å; V1454-L1480 HydrophobicContact CG1-CD1 4.42Å; V1454-L1480 HydrophobicContact CG2-CD1 4.19Å |
| 1455 | K | 79.3 | Confident | 73.2 | Confident | 82 Ų | 82 | 36.5 Ų | 36.5 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.4 | -39 | 175.3 | -172.5 | -172.2 | -177.7 | -167.3 | 0 | 112.7 | E1412 S1451 I1452 T1458 N1459 | E1412-K1455 WeakPolarHBondContact OE1-CE 3.42Å; E1412-K1455 IonicContact OE1-NZ 2.69Å; E1412-K1455 PolarHBondContact OE1-NZ 3.36Å; S1451-K1455 VanDerWaalsContact O-CB 3.31Å; S1451-K1455 WeakPolarHBondContact O-CB 3.45Å; S1451-K1455 PolarHBondContact O-N 2.82Å; I1452-K1455 PolarHBondContact O-N 3.24Å; K1455-T1458 WeakPolarHBondContact CA-OG1 3.47Å; K1455-T1458 PolarHBondContact O-OG1 2.92Å; K1455-T1458 VanDerWaalsContact O-OG1 3.08Å; K1455-N1459 VanDerWaalsContact O-CB 3.31Å; K1455-N1459 WeakPolarHBondContact O-CB 3.17Å; K1455-N1459 PolarHBondContact O-N 3.05Å; K1455-N1459 PolarHBondContact O-ND2 3.03Å |
| 1456 | I | 80.8 | Confident | 73 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.9 | -42 | 173.1 | -67.4 | 160.5 | 0 | 0 | 0 | 110.2 | I1411 E1412 L1436 I1452 C1453 V1454 N1459 L1460 | I1411-I1456 HydrophobicContact CB-CD1 4.29Å; I1411-I1456 HydrophobicContact CG2-CD1 3.93Å; I1411-I1456 HydrophobicContact CG2-CG2 3.87Å; E1412-I1456 HydrophobicContact CB-CD1 4.38Å; E1412-I1456 HydrophobicContact CB-CG1 4.29Å; L1436-I1456 HydrophobicContact CD1-CB 4.22Å; L1436-I1456 HydrophobicContact CD1-CG2 3.41Å; L1436-I1456 VanDerWaalsContact CD1-CG2 3.41Å; L1436-I1456 HydrophobicContact CD2-CD1 4.23Å; I1452-I1456 HydrophobicContact CG2-CD1 3.74Å; I1452-I1456 HydrophobicContact CG2-CG1 4.46Å; I1452-I1456 WeakPolarHBondContact O-CD1 3.17Å; I1452-I1456 VanDerWaalsContact O-CG1 3.23Å; I1452-I1456 WeakPolarHBondContact O-CG1 3.28Å; I1452-I1456 PolarHBondContact O-N 2.98Å; C1453-I1456 PolarHBondContact O-N 3.17Å; V1454-I1456 VanDerWaalsContact C-N 3.32Å; V1454-I1456 PolarHBondContact O-N 3.36Å; I1456-N1459 PolarHBondContact O-N 2.74Å; I1456-L1460 HydrophobicContact CG2-CD1 4.11Å; I1456-L1460 HydrophobicContact CG2-CG 4.45Å; I1456-L1460 WeakPolarHBondContact O-CB 3.33Å; I1456-L1460 VanDerWaalsContact O-CG 3.25Å; I1456-L1460 WeakPolarHBondContact O-CG 3.34Å; I1456-L1460 PolarHBondContact O-N 3.11Å |
| 1457 | I | 78.9 | Confident | 72.1 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 178.1 | -69.9 | 164.7 | 0 | 0 | 0 | 111.5 | L1433 L1436 A1440 C1453 V1454 L1460 A1461 L1611 L1614 | L1433-I1457 HydrophobicContact CD1-CG1 3.95Å; L1436-I1457 HydrophobicContact CB-CD1 4.26Å; L1436-I1457 HydrophobicContact CB-CG1 4.38Å; A1440-I1457 HydrophobicContact CB-CD1 4.35Å; C1453-I1457 WeakPolarHBondContact O-CB 3.3Å; C1453-I1457 WeakPolarHBondContact O-CD1 3.37Å; C1453-I1457 WeakPolarHBondContact O-CG1 2.9Å; C1453-I1457 PolarHBondContact O-N 3.28Å; V1454-I1457 CarbonylContact O-C 3.51Å; V1454-I1457 WeakPolarHBondContact O-CA 3.48Å; V1454-I1457 WeakPolarHBondContact O-CB 3.43Å; V1454-I1457 PolarHBondContact O-N 3.24Å; I1457-L1460 PolarHBondContact O-N 3.1Å; I1457-A1461 WeakPolarHBondContact O-CB 3.42Å; I1457-A1461 PolarHBondContact O-N 3.16Å; I1457-L1611 HydrophobicContact CD1-CD1 4.31Å; I1457-L1611 HydrophobicContact CG2-CD1 4.41Å; I1457-L1614 HydrophobicContact CG2-CD2 3.8Å |
| 1458 | T | 77.5 | Confident | 71.3 | Confident | 24 Ų | 24 | 43.7 Ų | 43.7 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.1 | -38 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 112.2 | V1454 K1455 L1460 A1461 S1462 | V1454-T1458 HydrophobicContact CG1-CG2 4.41Å; V1454-T1458 PolarHBondContact O-N 2.96Å; V1454-T1458 PolarHBondContact O-OG1 2.97Å; K1455-T1458 WeakPolarHBondContact CA-OG1 3.47Å; K1455-T1458 PolarHBondContact O-OG1 2.92Å; K1455-T1458 VanDerWaalsContact O-OG1 3.08Å; T1458-L1460 PolarHBondContact O-N 3.3Å; T1458-A1461 PolarHBondContact O-N 3.14Å; T1458-S1462 PolarHBondContact O-N 2.72Å; T1458-S1462 PolarHBondContact O-OG 3.01Å |
| 1459 | N | 79.2 | Confident | 70.4 | Confident | 40 Ų | 40 | 42 Ų | 42 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 169.8 | -76.8 | -11.6 | 0 | 0 | 0 | 112.3 | S1415 K1455 I1456 S1462 V1463 | S1415-N1459 PolarHBondContact OG-ND2 3.02Å; K1455-N1459 VanDerWaalsContact O-CB 3.31Å; K1455-N1459 WeakPolarHBondContact O-CB 3.17Å; K1455-N1459 PolarHBondContact O-N 3.05Å; K1455-N1459 PolarHBondContact O-ND2 3.03Å; I1456-N1459 PolarHBondContact O-N 2.74Å; N1459-S1462 PolarHBondContact O-OG 3.27Å; N1459-S1462 VanDerWaalsContact O-OG 3.14Å; N1459-V1463 WeakPolarHBondContact O-CG2 3.39Å; N1459-V1463 PolarHBondContact O-N 3.25Å |
| 1460 | L | 76.8 | Confident | 69.3 | Low | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 174.1 | -69.4 | 172.2 | 0 | 0 | 0 | 110.6 | V1421 L1428 L1433 I1456 I1457 T1458 V1463 F1464 | V1421-L1460 HydrophobicContact CG1-CD2 3.66Å; V1421-L1460 HydrophobicContact CG2-CD2 4.22Å; L1428-L1460 HydrophobicContact CD1-CD2 4.48Å; L1433-L1460 HydrophobicContact CD1-CD1 4.36Å; I1456-L1460 HydrophobicContact CG2-CD1 4.11Å; I1456-L1460 HydrophobicContact CG2-CG 4.45Å; I1456-L1460 WeakPolarHBondContact O-CB 3.33Å; I1456-L1460 VanDerWaalsContact O-CG 3.25Å; I1456-L1460 WeakPolarHBondContact O-CG 3.34Å; I1456-L1460 PolarHBondContact O-N 3.11Å; I1457-L1460 PolarHBondContact O-N 3.1Å; T1458-L1460 PolarHBondContact O-N 3.3Å; L1460-V1463 PolarHBondContact O-N 3.48Å; L1460-F1464 HydrophobicContact CB-CD2 4.11Å; L1460-F1464 HydrophobicContact CB-CE2 4.01Å; L1460-F1464 HydrophobicContact CD2-CE2 3.86Å; L1460-F1464 HydrophobicContact CD2-CZ 4.1Å; L1460-F1464 HydrophobicContact CG-CE2 4.45Å; L1460-F1464 WeakPolarHBondContact O-CB 3.45Å; L1460-F1464 WeakPolarHBondContact O-CD2 3.32Å; L1460-F1464 WeakPolarHBondContact O-CG 3.45Å; L1460-F1464 PolarHBondContact O-N 3.07Å |
| 1461 | A | 72.9 | Confident | 68.3 | Low | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1457 T1458 V1463 F1464 L1465 L1470 L1614 L1618 | I1457-A1461 WeakPolarHBondContact O-CB 3.42Å; I1457-A1461 PolarHBondContact O-N 3.16Å; T1458-A1461 PolarHBondContact O-N 3.14Å; A1461-V1463 VanDerWaalsContact C-N 3.31Å; A1461-V1463 PolarHBondContact O-N 3.46Å; A1461-F1464 PolarHBondContact O-N 3.16Å; A1461-F1464 VanDerWaalsContact O-N 3.1Å; A1461-L1465 HydrophobicContact CB-CD1 4.34Å; A1461-L1465 WeakPolarHBondContact O-CB 3.31Å; A1461-L1465 PolarHBondContact O-N 2.85Å; A1461-L1470 HydrophobicContact CB-CD1 3.85Å; A1461-L1614 HydrophobicContact CB-CD1 3.74Å; A1461-L1614 HydrophobicContact CB-CD2 3.88Å; A1461-L1614 HydrophobicContact CB-CG 3.94Å; A1461-L1618 HydrophobicContact CB-CD1 4.45Å |
| 1462 | S | 74.7 | Confident | 67.2 | Low | 54 Ų | 54 | 48.8 Ų | 48.8 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 178.4 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | T1458 N1459 F1464 G1466 | T1458-S1462 PolarHBondContact O-N 2.72Å; T1458-S1462 PolarHBondContact O-OG 3.01Å; N1459-S1462 PolarHBondContact O-OG 3.27Å; N1459-S1462 VanDerWaalsContact O-OG 3.14Å; S1462-F1464 VanDerWaalsContact C-N 3.35Å; S1462-G1466 PolarHBondContact O-N 2.82Å |
| 1463 | V | 71.1 | Confident | 65.9 | Low | 51 Ų | 51 | 46.7 Ų | 46.7 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -73.3 | -23.8 | 174.4 | 179 | 0 | 0 | 0 | 0 | 112.8 | T1418 V1421 N1459 L1460 A1461 | T1418-V1463 HydrophobicContact CG2-CG2 4.05Å; V1421-V1463 HydrophobicContact CB-CG1 4.25Å; V1421-V1463 HydrophobicContact CG1-CB 4.06Å; V1421-V1463 HydrophobicContact CG1-CG1 3.64Å; N1459-V1463 WeakPolarHBondContact O-CG2 3.39Å; N1459-V1463 PolarHBondContact O-N 3.25Å; L1460-V1463 PolarHBondContact O-N 3.48Å; A1461-V1463 VanDerWaalsContact C-N 3.31Å; A1461-V1463 PolarHBondContact O-N 3.46Å |
| 1464 | F | 69 | Low | 64.6 | Low | 23 Ų | 23 | 48.1 Ų | 48.1 | 10% | 0.101 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -105.7 | -20.3 | -171.9 | -66.7 | -23.3 | 0 | 0 | 0 | 116.1 | V1421 K1425 I1429 L1460 A1461 S1462 L1618 | V1421-F1464 HydrophobicContact CB-CE1 4.5Å; V1421-F1464 HydrophobicContact CG1-CD1 4.17Å; V1421-F1464 HydrophobicContact CG1-CE1 3.3Å; V1421-F1464 HydrophobicContact CG1-CE2 4.21Å; V1421-F1464 HydrophobicContact CG1-CZ 3.33Å; V1421-F1464 WeakPolarHBondContact O-CE1 3.47Å; V1421-F1464 WeakPolarHBondContact O-CZ 3.33Å; K1425-F1464 HydrophobicContact CB-CE1 3.89Å; K1425-F1464 HydrophobicContact CB-CZ 3.96Å; K1425-F1464 HydrophobicContact CD-CD1 3.48Å; K1425-F1464 VanDerWaalsContact CD-CD1 3.48Å; K1425-F1464 HydrophobicContact CD-CE1 3.33Å; K1425-F1464 HydrophobicContact CD-CG 4.2Å; K1425-F1464 HydrophobicContact CD-CZ 3.97Å; K1425-F1464 VanDerWaalsContact CE-CG 3.48Å; K1425-F1464 HydrophobicContact CG-CD1 4.02Å; K1425-F1464 HydrophobicContact CG-CE1 3.42Å; K1425-F1464 VanDerWaalsContact CG-CE1 3.42Å; K1425-F1464 HydrophobicContact CG-CE2 4.17Å; K1425-F1464 HydrophobicContact CG-CZ 3.51Å; I1429-F1464 HydrophobicContact CD1-CD2 4.06Å; I1429-F1464 HydrophobicContact CD1-CE2 3.77Å; I1429-F1464 HydrophobicContact CD1-CZ 4.35Å; I1429-F1464 HydrophobicContact CG1-CD2 4.45Å; I1429-F1464 HydrophobicContact CG1-CE2 3.85Å; L1460-F1464 HydrophobicContact CB-CD2 4.11Å; L1460-F1464 HydrophobicContact CB-CE2 4.01Å; L1460-F1464 HydrophobicContact CD2-CE2 3.86Å; L1460-F1464 HydrophobicContact CD2-CZ 4.1Å; L1460-F1464 HydrophobicContact CG-CE2 4.45Å; L1460-F1464 WeakPolarHBondContact O-CB 3.45Å; L1460-F1464 WeakPolarHBondContact O-CD2 3.32Å; L1460-F1464 WeakPolarHBondContact O-CG 3.45Å; L1460-F1464 PolarHBondContact O-N 3.07Å; A1461-F1464 PolarHBondContact O-N 3.16Å; A1461-F1464 VanDerWaalsContact O-N 3.1Å; S1462-F1464 VanDerWaalsContact C-N 3.35Å; F1464-L1618 HydrophobicContact CB-CD2 3.51Å; F1464-L1618 HydrophobicContact CD2-CD2 3.64Å; F1464-L1618 HydrophobicContact CG-CD2 4.09Å |
| 1465 | L | 63.8 | Low | 63.3 | Low | 34 Ų | 34 | 51.4 Ų | 51.4 | 18% | 0.178 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -115.2 | -18.9 | -177.8 | -59.3 | 175.9 | 0 | 0 | 0 | 113.6 | A1461 D1469 L1614 K1617 L1618 | A1461-L1465 HydrophobicContact CB-CD1 4.34Å; A1461-L1465 WeakPolarHBondContact O-CB 3.31Å; A1461-L1465 PolarHBondContact O-N 2.85Å; L1465-D1469 HydrophobicContact CB-CB 4.44Å; L1465-L1614 HydrophobicContact CD1-CD1 3.87Å; L1465-K1617 HydrophobicContact CD1-CB 4.11Å; L1465-K1617 HydrophobicContact CD2-CB 4.08Å; L1465-L1618 HydrophobicContact CD1-CD2 4.49Å; L1465-L1618 HydrophobicContact CD2-CD2 4.44Å; L1465-L1618 HydrophobicContact CG-CD2 4.21Å |
| 1466 | G | 58 | Low | 62.1 | Low | 32 Ų | 32 | 49.1 Ų | 49.1 | 33% | 0.33 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | 74.6 | 168.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1462 S1468 L1470 | S1462-G1466 PolarHBondContact O-N 2.82Å; G1466-S1468 VanDerWaalsContact C-N 3.3Å; G1466-S1468 PolarHBondContact O-N 3.45Å; G1466-L1470 WeakPolarHBondContact O-CB 3.33Å; G1466-L1470 PolarHBondContact O-N 3.13Å |
| 1467 | E | 52.3 | Low | 60.7 | Low | 185 Ų | 185 | 49.3 Ų | 49.3 | 86% | 0.864 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.8 | -24.6 | -171.9 | -63.4 | -175.6 | 156.3 | 0 | 0 | 114.1 | ||
| 1468 | S | 48.4 | Very low | 59.4 | Low | 87 Ų | 87 | 52 Ų | 52 | 61% | 0.608 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.9 | -50.9 | -178.8 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | G1466 L1470 | G1466-S1468 VanDerWaalsContact C-N 3.3Å; G1466-S1468 PolarHBondContact O-N 3.45Å; S1468-L1470 VanDerWaalsContact C-N 3.34Å |
| 1469 | D | 47.9 | Very low | 57.9 | Low | 96 Ų | 96 | 56.9 Ų | 56.9 | 51% | 0.513 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -86.7 | -16.5 | -168.7 | -62.5 | 30.6 | 0 | 0 | 0 | 111.4 | L1465 S1473 | L1465-D1469 HydrophobicContact CB-CB 4.44Å; D1469-S1473 PolarHBondContact O-OG 3.06Å |
| 1470 | L | 50 | Low | 56.3 | Low | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.5 | -34.1 | 176.6 | -162.3 | 72.5 | 0 | 0 | 0 | 111.6 | A1461 G1466 S1468 D1472 S1473 T1474 L1614 | A1461-L1470 HydrophobicContact CB-CD1 3.85Å; G1466-L1470 WeakPolarHBondContact O-CB 3.33Å; G1466-L1470 PolarHBondContact O-N 3.13Å; S1468-L1470 VanDerWaalsContact C-N 3.34Å; L1470-D1472 PolarHBondContact O-N 3.46Å; L1470-S1473 PolarHBondContact O-N 3.37Å; L1470-T1474 HydrophobicContact CD1-CG2 3.78Å; L1470-T1474 HydrophobicContact CG-CG2 3.68Å; L1470-T1474 WeakPolarHBondContact O-CB 3.47Å; L1470-T1474 WeakPolarHBondContact O-CG2 3.38Å; L1470-T1474 PolarHBondContact O-N 3.11Å; L1470-T1474 PolarHBondContact O-OG1 3.41Å; L1470-L1614 HydrophobicContact CD1-CD1 4.44Å |
| 1471 | A | 49.1 | Very low | 54.5 | Low | 61 Ų | 61 | 62.2 Ų | 62.2 | 50% | 0.504 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -49.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1473 | A1471-S1473 PolarHBondContact O-N 3.34Å |
| 1472 | D | 48.3 | Very low | 53 | Low | 156 Ų | 156 | 67.8 Ų | 67.8 | 83% | 0.834 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.6 | -15.8 | 177.6 | -68.9 | -16.5 | 0 | 0 | 0 | 113.1 | L1470 | L1470-D1472 PolarHBondContact O-N 3.46Å |
| 1473 | S | 49.5 | Very low | 51.2 | Low | 8 Ų | 8 | 68.2 Ų | 68.2 | 6% | 0.056 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -102.1 | -18.2 | -172.8 | -51.3 | 0 | 0 | 0 | 0 | 114.2 | D1469 L1470 A1471 K1617 | D1469-S1473 PolarHBondContact O-OG 3.06Å; L1470-S1473 PolarHBondContact O-N 3.37Å; A1471-S1473 PolarHBondContact O-N 3.34Å; S1473-K1617 PolarHBondContact OG-NZ 3.31Å |
| 1474 | T | 51.2 | Low | 49.3 | Very low | 30 Ų | 30 | 72.3 Ų | 72.3 | 18% | 0.184 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -106 | -14.2 | -169.7 | 45.9 | 0 | 0 | 0 | 0 | 115 | L1470 S1476 L1477 V1478 | L1470-T1474 HydrophobicContact CD1-CG2 3.78Å; L1470-T1474 HydrophobicContact CG-CG2 3.68Å; L1470-T1474 WeakPolarHBondContact O-CB 3.47Å; L1470-T1474 WeakPolarHBondContact O-CG2 3.38Å; L1470-T1474 PolarHBondContact O-N 3.11Å; L1470-T1474 PolarHBondContact O-OG1 3.41Å; T1474-S1476 PolarHBondContact O-N 2.64Å; T1474-L1477 PolarHBondContact O-N 3.25Å; T1474-V1478 WeakPolarHBondContact O-CG2 3.39Å; T1474-V1478 PolarHBondContact O-N 3.19Å |
| 1475 | A | 50.7 | Low | 47.5 | Very low | 80 Ų | 80 | 75.1 Ų | 75.1 | 66% | 0.661 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -32.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1476 | S | 53.5 | Low | 45.7 | Very low | 35 Ų | 35 | 79.1 Ų | 79.1 | 25% | 0.245 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -15.6 | 175.5 | 50.8 | 0 | 0 | 0 | 0 | 114.7 | T1474 V1607 A1610 | T1474-S1476 PolarHBondContact O-N 2.64Å; S1476-V1607 WeakPolarHBondContact O-CG2 3.35Å; S1476-A1610 VanDerWaalsContact OG-CB 3.23Å; S1476-A1610 WeakPolarHBondContact OG-CB 3.48Å |
| 1477 | L | 52.1 | Low | 44.2 | Very low | 5 Ų | 5 | 83.7 Ų | 83.7 | 3% | 0.026 | 48% | 0.478 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -28 | 175.5 | -71.4 | 167.6 | 0 | 0 | 0 | 112.1 | T1474 E1479 L1480 A1610 L1614 | T1474-L1477 PolarHBondContact O-N 3.25Å; L1477-E1479 PolarHBondContact O-N 3.12Å; L1477-E1479 VanDerWaalsContact O-N 3.16Å; L1477-L1480 PolarHBondContact O-N 2.96Å; L1477-A1610 HydrophobicContact CD1-CB 4.4Å; L1477-A1610 HydrophobicContact CD2-CB 4.36Å; L1477-A1610 HydrophobicContact CG-CB 4.04Å; L1477-L1614 HydrophobicContact CD1-CD2 3.77Å |
| 1478 | V | 51 | Low | 42.9 | Very low | 57 Ų | 57 | 79.5 Ų | 79.5 | 35% | 0.345 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.1 | -28 | 175.1 | 168.3 | 0 | 0 | 0 | 0 | 112.5 | T1474 L1480 E1481 H1482 | T1474-V1478 WeakPolarHBondContact O-CG2 3.39Å; T1474-V1478 PolarHBondContact O-N 3.19Å; V1478-L1480 VanDerWaalsContact C-N 3.27Å; V1478-L1480 PolarHBondContact O-N 3.17Å; V1478-E1481 PolarHBondContact O-N 2.57Å; V1478-H1482 VanDerWaalsContact CG1-CE1 3.41Å; V1478-H1482 WeakPolarHBondContact CG1-CE1 3.21Å; V1478-H1482 VanDerWaalsContact CG1-ND1 3.3Å; V1478-H1482 WeakPolarHBondContact CG1-ND1 3.41Å; V1478-H1482 PolarHBondContact O-N 3.38Å; V1478-H1482 PolarHBondContact O-ND1 3.16Å |
| 1479 | E | 47.1 | Very low | 41.9 | Very low | 127 Ų | 127 | 83.5 Ų | 83.5 | 59% | 0.593 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.7 | -33.3 | 174.4 | -62.7 | -164.7 | 145.1 | 0 | 0 | 112.9 | L1477 A1483 | L1477-E1479 PolarHBondContact O-N 3.12Å; L1477-E1479 VanDerWaalsContact O-N 3.16Å; E1479-A1483 WeakPolarHBondContact O-CB 3.41Å; E1479-A1483 PolarHBondContact O-N 3.45Å |
| 1480 | L | 44.2 | Very low | 40.8 | Very low | 62 Ų | 62 | 82.1 Ų | 82.1 | 33% | 0.325 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.6 | -28.8 | 178.2 | -78.1 | 171.3 | 0 | 0 | 0 | 113.3 | V1454 L1477 V1478 V1607 | V1454-L1480 HydrophobicContact CG1-CD1 4.42Å; V1454-L1480 HydrophobicContact CG2-CD1 4.19Å; L1477-L1480 PolarHBondContact O-N 2.96Å; V1478-L1480 VanDerWaalsContact C-N 3.27Å; V1478-L1480 PolarHBondContact O-N 3.17Å; L1480-V1607 HydrophobicContact CD1-CG1 3.69Å; L1480-V1607 HydrophobicContact CG-CG1 4.42Å |
| 1481 | E | 40.4 | Very low | 39.8 | Very low | 91 Ų | 91 | 88.8 Ų | 88.8 | 43% | 0.425 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -79.9 | -33.6 | 174.1 | -65.1 | -173.5 | 139.2 | 0 | 0 | 111.5 | V1478 S1485 | V1478-E1481 PolarHBondContact O-N 2.57Å; E1481-S1485 PolarHBondContact O-OG 3.22Å |
| 1482 | H | 39.8 | Very low | 38.7 | Very low | 117 Ų | 117 | 93.1 Ų | 93.1 | 54% | 0.542 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -76.8 | -29.6 | 176.9 | -73.8 | 65 | 0 | 0 | 0 | 112.9 | V1478 Y1484 S1485 | V1478-H1482 VanDerWaalsContact CG1-CE1 3.41Å; V1478-H1482 WeakPolarHBondContact CG1-CE1 3.21Å; V1478-H1482 VanDerWaalsContact CG1-ND1 3.3Å; V1478-H1482 WeakPolarHBondContact CG1-ND1 3.41Å; V1478-H1482 PolarHBondContact O-N 3.38Å; V1478-H1482 PolarHBondContact O-ND1 3.16Å; H1482-Y1484 PolarHBondContact O-N 3.32Å; H1482-S1485 WeakPolarHBondContact CA-OG 3.48Å; H1482-S1485 PolarHBondContact O-OG 3.01Å |
| 1483 | A | 36.8 | Very low | 37.8 | Very low | 64 Ų | 64 | 93.1 Ų | 93.1 | 53% | 0.529 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.1 | -18.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E1479 | E1479-A1483 WeakPolarHBondContact O-CB 3.41Å; E1479-A1483 PolarHBondContact O-N 3.45Å |
| 1484 | Y | 32.6 | Very low | 36.9 | Very low | 136 Ų | 136 | 98.2 Ų | 98.2 | 53% | 0.533 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -113.7 | -9.5 | -178.5 | -84.7 | -89.2 | 0 | 0 | 0 | 115 | P1447 H1482 V1486 | P1447-Y1484 HydrophobicContact CB-CE1 4.02Å; P1447-Y1484 HydrophobicContact CB-CE2 4.36Å; P1447-Y1484 WeakPolarHBondContact CB-OH 3.35Å; P1447-Y1484 HydrophobicContact CG-CE1 4.38Å; H1482-Y1484 PolarHBondContact O-N 3.32Å; Y1484-V1486 VanDerWaalsContact C-N 3.32Å |
| 1485 | S | 30.2 | Very low | 35.7 | Very low | 82 Ų | 82 | 105.4 Ų | 105.4 | 57% | 0.573 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -82.3 | -6.4 | 175 | 35.5 | 0 | 0 | 0 | 0 | 113.7 | E1481 H1482 | E1481-S1485 PolarHBondContact O-OG 3.22Å; H1482-S1485 WeakPolarHBondContact CA-OG 3.48Å; H1482-S1485 PolarHBondContact O-OG 3.01Å |
| 1486 | V | 25.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 106.7 Ų | 106.7 | 72% | 0.715 | 60% | 0.596 | S | S | * | * | trans | -116.7 | 66.4 | -175.5 | -167.4 | 0 | 0 | 0 | 0 | 112.2 | Y1484 | Y1484-V1486 VanDerWaalsContact C-N 3.32Š| ||
| 1487 | T | 26.5 | Very low | 33.4 | Very low | 129 Ų | 129 | 110 Ų | 110 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | trans | -129.8 | 24.3 | 168.7 | 49.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1488 | S | 25.9 | Very low | 32.1 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 68% | 0.678 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -141.1 | 117.3 | 168.4 | 61.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1489 | I | 26.5 | Very low | 30.8 | Very low | 171 Ų | 171 | 121.7 Ų | 121.7 | 88% | 0.877 | 67% | 0.673 | S | S | * | * | trans | 73.1 | 91.7 | 160.5 | -47.1 | 165.9 | 0 | 0 | 0 | 117.2 | ||||
| 1490 | G | 25.7 | Very low | 29.7 | Very low | 67 Ų | 67 | 121.4 Ų | 121.4 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | 73 | 111.9 | 116.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1491 | H | 28.2 | Very low | 28.7 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 79% | 0.792 | 70% | 0.697 | S | S | * | * | trans | 70.7 | 127 | 145.4 | -85.7 | -99 | 0 | 0 | 0 | 123.3 | ||||
| 1492 | E | 27.6 | Very low | 27.8 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 71% | 0.71 | 71% | 0.708 | S | S | * | * | trans | 71.8 | 101.5 | 139.5 | -77.9 | 164.2 | -141.7 | 0 | 0 | 123.3 | ||||
| 1493 | D | 27.9 | Very low | 27.1 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | 79.8 | 137.3 | 126.8 | -69.7 | 11.2 | 0 | 0 | 0 | 123.8 | |||||
| 1494 | P | 31.7 | Very low | 26.4 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | trans | -120.1 | 165.6 | -172.7 | 43.8 | -33.1 | 0 | 0 | 0 | 115.9 | ||||
| 1495 | Q | 26.2 | Very low | 25.9 | Very low | 181 Ų | 181 | 141 Ų | 141 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -162.9 | 130.3 | 150.6 | -101.6 | -67.7 | -42.7 | 0 | 0 | 110.1 | ||||
| 1496 | P | 31.7 | Very low | 25.5 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -111.8 | 145 | -178 | 37.9 | -30.6 | 0 | 0 | 0 | 114.5 | ||||
| 1497 | S | 23.5 | Very low | 25.2 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -172 | 127.2 | 155.4 | 35 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1498 | I | 24.5 | Very low | 25 | Very low | 144 Ų | 144 | 141.6 Ų | 141.6 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | 74.8 | 115.7 | 125 | -63.1 | 176.1 | 0 | 0 | 0 | 121 | |||||
| 1499 | Q | 23.9 | Very low | 24.8 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | 92.3 | 118 | 141.8 | -76.7 | 175.9 | 34.7 | 0 | 0 | 125.2 | ||||
| 1500 | L | 23.4 | Very low | 24.7 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | 83 | 131.2 | 122.3 | -71 | 170.8 | 0 | 0 | 0 | 124.3 | |||||
| 1501 | R | 23 | Very low | 24.6 | Very low | 205 Ų | 205 | 147.5 Ų | 147.5 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | 85 | 105 | 134.1 | -78.5 | 170.3 | -179.2 | -169.9 | 2.3 | 121.9 | ||||
| 1502 | K | 23 | Very low | 24.4 | Very low | 155 Ų | 155 | 148 Ų | 148 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | 71.5 | 140.4 | 118.3 | -74.9 | -167.7 | 170.3 | -164.9 | 0 | 121.2 | |||||
| 1503 | Y | 23.6 | Very low | 24.1 | Very low | 211 Ų | 211 | 151.4 Ų | 151.4 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 65.6 | 136.9 | 166.7 | -51 | -62.5 | 0 | 0 | 0 | 115 | ||||
| 1504 | G | 22.5 | Very low | 24 | Very low | 72 Ų | 72 | 148.7 Ų | 148.7 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | cis | 146.4 | 162.6 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1505 | R | 22.1 | Very low | 23.8 | Very low | 238 Ų | 238 | 148.6 Ų | 148.6 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | 75.9 | 107.5 | 172 | -75.2 | -173.3 | 166.3 | 172.8 | -4.5 | 120.1 | ||||
| 1506 | T | 21.7 | Very low | 24.1 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | 62.5 | 124.6 | 125.8 | 63.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1507 | S | 20.8 | Very low | 24 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | 123.5 | 145.3 | 121.4 | -157.7 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 1508 | S | 21.7 | Very low | 24.2 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | trans | 67 | 99.8 | 156.2 | -163.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1509 | A | 22.1 | Very low | 24.5 | Very low | 98 Ų | 98 | 136.8 Ų | 136.8 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | trans | 15.7 | 111.1 | 136.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1510 | V | 23.9 | Very low | 24.8 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -130.1 | 144.9 | 158.2 | 178.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1511 | Y | 23 | Very low | 25.2 | Very low | 234 Ų | 234 | 134.7 Ų | 134.7 | 92% | 0.918 | 72% | 0.718 | S | S | * | * | trans | -76.3 | 122.7 | 171.1 | -85.1 | -116.8 | 0 | 0 | 0 | 110.1 | ||||
| 1512 | E | 23.9 | Very low | 25.5 | Very low | 181 Ų | 181 | 131.7 Ų | 131.7 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | -123.6 | 150.2 | 159.2 | -63.7 | -158.5 | 147.4 | 0 | 0 | 111.2 | ||||
| 1513 | R | 22.5 | Very low | 25.9 | Very low | 223 Ų | 223 | 130.2 Ų | 130.2 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | trans | -91.5 | 142.4 | -157.9 | -62.2 | 170.6 | 178.5 | 149.2 | -1.8 | 111.6 | V1515 | R1513-V1515 PolarHBondContact O-N 3.26Š| ||
| 1514 | P | 25.8 | Very low | 26.1 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | trans | -63.8 | 134.8 | 160.3 | 29.1 | -32.9 | 0 | 0 | 0 | 109.5 | S1516 | P1514-S1516 PolarHBondContact O-N 2.82Š| ||
| 1515 | V | 28 | Very low | 26.4 | Very low | 113 Ų | 113 | 121.9 Ų | 121.9 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -70.3 | 3.2 | -172.4 | -178.5 | 0 | 0 | 0 | 0 | 113.3 | R1513 A1517 D1518 | R1513-V1515 PolarHBondContact O-N 3.26Å; V1515-A1517 PolarHBondContact O-N 2.89Å; V1515-D1518 PolarHBondContact O-N 3.45Å; V1515-D1518 VanDerWaalsContact O-N 3.13Å |
| 1516 | S | 32.2 | Very low | 26.5 | Very low | 91 Ų | 91 | 118.8 Ų | 118.8 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -60.1 | -6.3 | 174.6 | 61 | 0 | 0 | 0 | 0 | 115.1 | P1514 | P1514-S1516 PolarHBondContact O-N 2.82Š|
| 1517 | A | 28.6 | Very low | 26.7 | Very low | 62 Ų | 62 | 117 Ų | 117 | 51% | 0.512 | 68% | 0.684 | S | S | . | * | G | 310 helix | trans | -73.8 | -31 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1515 A1519 D1520 | V1515-A1517 PolarHBondContact O-N 2.89Å; A1517-A1519 VanDerWaalsContact C-N 3.26Å; A1517-A1519 PolarHBondContact O-N 2.89Å; A1517-D1520 PolarHBondContact O-N 3.45Å |
| 1518 | D | 28.1 | Very low | 26.8 | Very low | 93 Ų | 93 | 119.6 Ų | 119.6 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | -9.3 | -178.2 | -62.1 | -55.2 | 0 | 0 | 0 | 112.8 | V1515 D1520 V1521 L1522 | V1515-D1518 PolarHBondContact O-N 3.45Å; V1515-D1518 VanDerWaalsContact O-N 3.13Å; D1518-D1520 VanDerWaalsContact C-N 3.25Å; D1518-D1520 PolarHBondContact O-N 2.69Å; D1518-V1521 WeakPolarHBondContact O-CB 3.43Å; D1518-V1521 PolarHBondContact O-N 3.17Å; D1518-L1522 PolarHBondContact O-N 3.39Å |
| 1519 | A | 31.3 | Very low | 27 | Very low | 44 Ų | 44 | 121.1 Ų | 121.1 | 36% | 0.364 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -60.2 | -34.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1517 V1521 L1522 L1523 | A1517-A1519 VanDerWaalsContact C-N 3.26Å; A1517-A1519 PolarHBondContact O-N 2.89Å; A1519-V1521 PolarHBondContact O-N 3.08Å; A1519-L1522 PolarHBondContact O-N 2.76Å; A1519-L1523 VanDerWaalsContact O-CB 3.24Å; A1519-L1523 WeakPolarHBondContact O-CB 3.43Å; A1519-L1523 WeakPolarHBondContact O-CG 3.4Å; A1519-L1523 PolarHBondContact O-N 2.79Å |
| 1520 | D | 29 | Very low | 27.1 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.2 | -20.8 | 174 | -86 | -26.3 | 0 | 0 | 0 | 112.6 | A1517 D1518 G1524 | A1517-D1520 PolarHBondContact O-N 3.45Å; D1518-D1520 VanDerWaalsContact C-N 3.25Å; D1518-D1520 PolarHBondContact O-N 2.69Å; D1520-G1524 VanDerWaalsContact O-CA 3.26Å; D1520-G1524 WeakPolarHBondContact O-CA 3.33Å; D1520-G1524 PolarHBondContact O-N 3.27Å |
| 1521 | V | 31.9 | Very low | 27.2 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -81 | -45 | 174.8 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | D1518 A1519 | D1518-V1521 WeakPolarHBondContact O-CB 3.43Å; D1518-V1521 PolarHBondContact O-N 3.17Å; A1519-V1521 PolarHBondContact O-N 3.08Å |
| 1522 | L | 30.7 | Very low | 27.2 | Very low | 141 Ų | 141 | 122.1 Ų | 122.1 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -74.7 | -40.4 | 180 | -70.1 | 169.4 | 0 | 0 | 0 | 112.9 | D1518 A1519 | D1518-L1522 PolarHBondContact O-N 3.39Å; A1519-L1522 PolarHBondContact O-N 2.76Å |
| 1523 | L | 31 | Very low | 27.3 | Very low | 125 Ų | 125 | 119 Ų | 119 | 65% | 0.654 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -79.2 | -23.1 | 173.8 | -61.9 | 170.8 | 0 | 0 | 0 | 112.3 | A1519 G1525 M1526 | A1519-L1523 VanDerWaalsContact O-CB 3.24Å; A1519-L1523 WeakPolarHBondContact O-CB 3.43Å; A1519-L1523 WeakPolarHBondContact O-CG 3.4Å; A1519-L1523 PolarHBondContact O-N 2.79Å; L1523-G1525 PolarHBondContact O-N 3.23Å; L1523-M1526 PolarHBondContact O-N 2.92Å |
| 1524 | G | 27.4 | Very low | 27.5 | Very low | 44 Ų | 44 | 118.4 Ų | 118.4 | 45% | 0.454 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -60.2 | -25.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1520 M1526 | D1520-G1524 VanDerWaalsContact O-CA 3.26Å; D1520-G1524 WeakPolarHBondContact O-CA 3.33Å; D1520-G1524 PolarHBondContact O-N 3.27Å; G1524-M1526 VanDerWaalsContact C-N 3.34Å; G1524-M1526 PolarHBondContact O-N 2.95Å |
| 1525 | G | 27.9 | Very low | 27.5 | Very low | 64 Ų | 64 | 120.2 Ų | 120.2 | 66% | 0.66 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -21 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1523 | L1523-G1525 PolarHBondContact O-N 3.23Š|
| 1526 | M | 25.9 | Very low | 27.5 | Very low | 173 Ų | 173 | 122.4 Ų | 122.4 | 85% | 0.852 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 25.9 | -167.1 | -60.8 | -172.5 | 76.3 | 0 | 0 | 114.7 | L1523 G1524 | L1523-M1526 PolarHBondContact O-N 2.92Å; G1524-M1526 VanDerWaalsContact C-N 3.34Å; G1524-M1526 PolarHBondContact O-N 2.95Å |
| 1527 | S | 24.4 | Very low | 27.2 | Very low | 88 Ų | 88 | 124 Ų | 124 | 62% | 0.615 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -139.4 | 30 | -179.8 | 65.7 | 0 | 0 | 0 | 0 | 117.2 | ||
| 1528 | K | 24.1 | Very low | 27.1 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | trans | -149.8 | 109.8 | 158.3 | -80.4 | 113.2 | 178.8 | 178 | 0 | 108.5 | ||||
| 1529 | T | 25.1 | Very low | 27 | Very low | 131 Ų | 131 | 129.9 Ų | 129.9 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | -140.3 | 137.7 | 83.3 | 37.2 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 1530 | K | 24.9 | Very low | 26.8 | Very low | 172 Ų | 172 | 134.3 Ų | 134.3 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | 60.4 | 135.2 | 62.4 | -69.7 | -176.7 | 179.3 | 177.8 | 0 | 113 | |||||
| 1531 | K | 25.5 | Very low | 26.7 | Very low | 187 Ų | 187 | 135 Ų | 135 | 81% | 0.813 | 71% | 0.71 | S | S | * | * | cis | -172.5 | 145.1 | -17.3 | -129.3 | -168.6 | 178.8 | -160.8 | 0 | 105.8 | ||||
| 1532 | T | 23.1 | Very low | 26.4 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | -91.5 | 165.9 | 154.2 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1533 | D | 26.9 | Very low | 26.3 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | trans | 65.4 | 91.7 | 170.8 | -64 | -61.4 | 0 | 0 | 0 | 119.2 | ||||
| 1534 | R | 25.4 | Very low | 26 | Very low | 212 Ų | 212 | 137.8 Ų | 137.8 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | 88 | 126.2 | 108.7 | -82.2 | 175.1 | 174.5 | 178.6 | -1.7 | 120.9 | |||||
| 1535 | M | 25.9 | Very low | 26.1 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | trans | 80.5 | 118.8 | 140.8 | -67.7 | 171.5 | 72.3 | 0 | 0 | 119.4 | ||||
| 1536 | Q | 29.2 | Very low | 26 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 60.5 | 140.9 | 140.9 | -64.2 | 164.1 | -15.9 | 0 | 0 | 117.5 | ||||
| 1537 | N | 24.3 | Very low | 26 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | cis | 161.2 | 159.2 | -16.2 | -107.2 | 4.7 | 0 | 0 | 0 | 103.1 | ||||
| 1538 | F | 27.2 | Very low | 26 | Very low | 194 Ų | 194 | 148.1 Ų | 148.1 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | 69.8 | 145.1 | 174.6 | -49.8 | -76.3 | 0 | 0 | 0 | 116.5 | ||||
| 1539 | S | 26.3 | Very low | 26 | Very low | 85 Ų | 85 | 146 Ų | 146 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | cis | -171.7 | 152.7 | -24.8 | 49 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1540 | N | 26.5 | Very low | 25.9 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | trans | 83.7 | 135.6 | 155 | -56.4 | -19.8 | 0 | 0 | 0 | 120.7 | ||||
| 1541 | L | 26.8 | Very low | 25.9 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | 65.6 | 131.1 | 157.1 | -57.1 | 153.6 | 0 | 0 | 0 | 117.3 | ||||
| 1542 | N | 26.3 | Very low | 25.8 | Very low | 132 Ų | 132 | 137.6 Ų | 137.6 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | cis | -155.9 | 167.8 | -7.2 | -131.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1543 | H | 27.7 | Very low | 25.9 | Very low | 164 Ų | 164 | 139.6 Ų | 139.6 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 72.2 | 97.2 | 175.2 | -73.1 | -77.3 | 0 | 0 | 0 | 120.6 | ||
| 1544 | V | 25.9 | Very low | 25.7 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | trans | 60.2 | 78.3 | 139.8 | -157.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1545 | M | 28.2 | Very low | 25.6 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 77% | 0.768 | 73% | 0.726 | S | S | * | * | trans | -105.2 | 157 | 144.1 | -105.1 | -93.9 | 178.5 | 0 | 0 | 107.7 | ||||
| 1546 | P | 25.4 | Very low | 25.5 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | -146.3 | 133.6 | 97.2 | 35.6 | -18.9 | 0 | 0 | 0 | 115.8 | |||||
| 1547 | S | 27.3 | Very low | 25.4 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | trans | -99.6 | 143.3 | 148.6 | 51.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1548 | R | 23.4 | Very low | 25.5 | Very low | 221 Ų | 221 | 143.3 Ų | 143.3 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | 168.8 | 161.3 | 167.9 | -96.4 | 156.5 | -178.3 | -139 | 2.4 | 108.4 | ||||
| 1549 | M | 24.9 | Very low | 25.5 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 62% | 0.621 | 75% | 0.754 | S | S | * | * | cis | -149.3 | 127.6 | -1.5 | -127.2 | 136.8 | 168.2 | 0 | 0 | 106.5 | ||||
| 1550 | T | 23.8 | Very low | 25.7 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | 57.8 | 158.3 | 105.8 | 72.3 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1551 | T | 24.2 | Very low | 25.8 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 65.9 | 151.4 | 160.6 | 40 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1552 | S | 23.9 | Very low | 25.8 | Very low | 80 Ų | 80 | 139.7 Ų | 139.7 | 56% | 0.559 | 76% | 0.762 | S | S | * | * | cis | -167.8 | 172.2 | -13.3 | 45.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1553 | Q | 24.4 | Very low | 25.9 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 65.4 | 127.3 | 150.1 | -77.5 | 145.5 | -19.1 | 0 | 0 | 118.3 | ||||
| 1554 | Y | 23.4 | Very low | 25.8 | Very low | 212 Ų | 212 | 138.6 Ų | 138.6 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | 64.5 | 116 | 84.4 | -91.7 | -94.1 | 0 | 0 | 0 | 115.8 | |||||
| 1555 | T | 23.5 | Very low | 25.8 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 62.8 | 120.8 | 148.1 | 48.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1556 | L | 23.6 | Very low | 25.8 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | 34.9 | 108.9 | 141.6 | -71.3 | 84.6 | 0 | 0 | 0 | 119.3 | ||||
| 1557 | G | 26.5 | Very low | 25.9 | Very low | 82 Ų | 82 | 139.5 Ų | 139.5 | 85% | 0.845 | 76% | 0.764 | S | S | * | * | trans | -137.6 | 137.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1558 | R | 26 | Very low | 25.9 | Very low | 241 Ų | 241 | 142.6 Ų | 142.6 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | trans | -78.3 | 158.1 | -174.4 | -61.3 | 164.7 | 172.9 | 161.2 | -4.4 | 112.7 | ||||
| 1559 | D | 27 | Very low | 26 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | -157.5 | 163 | 120.1 | -101.9 | -18.6 | 0 | 0 | 0 | 111.6 | |||||
| 1560 | P | 30.8 | Very low | 26.1 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -117.9 | 129.6 | -148.8 | 38.6 | -29 | 0 | 0 | 0 | 118.1 | ||||
| 1561 | G | 27.6 | Very low | 26.2 | Very low | 76 Ų | 76 | 141.4 Ų | 141.4 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | 75.8 | 175.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1562 | N | 27.8 | Very low | 26.2 | Very low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -161.9 | 143.2 | -7.8 | -155.2 | -7.6 | 0 | 0 | 0 | 110.8 | ||||
| 1563 | K | 27.6 | Very low | 26.3 | Very low | 178 Ų | 178 | 143 Ų | 143 | 77% | 0.774 | 80% | 0.8 | S | S | * | * | trans | 66.2 | 154.6 | 166.2 | -63.4 | 160.3 | -171.7 | 177.2 | 0 | 118.1 | ||||
| 1564 | S | 27.1 | Very low | 26.3 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | cis | -172.8 | 140.4 | -24.8 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1565 | R | 26.1 | Very low | 26.3 | Very low | 251 Ų | 251 | 135 Ų | 135 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | trans | 56.9 | 146.1 | 138 | -70 | 177.7 | 166.2 | 173.1 | -5.6 | 122.8 | ||||
| 1566 | G | 28.1 | Very low | 26.3 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | 105.9 | 93 | 158.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1567 | S | 27.5 | Very low | 26.3 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | cis | 84.8 | 125.9 | 38 | -147.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1568 | N | 26.3 | Very low | 26.2 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | 78.9 | 99.3 | 162.3 | -55.9 | 4.3 | 0 | 0 | 0 | 119.3 | ||||
| 1569 | G | 26.2 | Very low | 26.2 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | 83.6 | 120.7 | 128.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1570 | N | 27.2 | Very low | 26.1 | Very low | 172 Ų | 172 | 131 Ų | 131 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | -163.6 | 172.8 | 99.4 | -102 | -39.3 | 0 | 0 | 0 | 113 | |||||
| 1571 | K | 25.6 | Very low | 25.8 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -91.6 | 165.7 | -177.2 | -68.3 | 178.6 | 177.3 | 176.8 | 0 | 112.6 | ||||
| 1572 | S | 24.8 | Very low | 25.8 | Very low | 100 Ų | 100 | 138.5 Ų | 138.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | 68.6 | 126.1 | 143.8 | 51.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1573 | T | 25.1 | Very low | 25.8 | Very low | 143 Ų | 143 | 140.9 Ų | 140.9 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | trans | 58.3 | 120.1 | 141 | 56.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1574 | G | 24.9 | Very low | 25.8 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | trans | 159.7 | 83 | 156.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1575 | V | 23.5 | Very low | 26 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | 47.2 | 103.3 | 125 | 176.5 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 1576 | L | 23.1 | Very low | 26 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 75.8 | 147.2 | 137.5 | -99.8 | 149.4 | 0 | 0 | 0 | 123 | ||||
| 1577 | S | 23.8 | Very low | 26 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | trans | 84.3 | 99.1 | 150.1 | 68.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1578 | N | 24.7 | Very low | 26 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | 81 | 152.1 | 120 | -66.4 | -7.1 | 0 | 0 | 0 | 122.6 | |||||
| 1579 | Q | 26.1 | Very low | 26.1 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | 75 | 83.9 | 155.3 | -75.5 | 171.6 | 14 | 0 | 0 | 120.3 | ||||
| 1580 | T | 25.2 | Very low | 26.1 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | 61 | 128.4 | 119 | 58.4 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1581 | R | 24.5 | Very low | 26.1 | Very low | 231 Ų | 231 | 146.7 Ų | 146.7 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | 125.2 | 87.6 | 120.7 | -150.1 | 173.7 | -161.8 | 177.4 | 4.9 | 117.3 | |||||
| 1582 | V | 27.6 | Very low | 26 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 35.5 | 115.7 | 137.6 | -154.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1583 | K | 27.3 | Very low | 26.1 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 81% | 0.809 | 77% | 0.772 | S | S | * | * | 176.6 | 115.1 | 113.3 | -95.5 | 175.3 | -175.1 | 179.8 | 0 | 115.7 | |||||
| 1584 | N | 28 | Very low | 26 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | trans | 60.5 | 141.6 | 134.6 | -60.5 | 9.1 | 0 | 0 | 0 | 124.3 | ||||
| 1585 | N | 29.8 | Very low | 26 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | trans | 79.2 | 112.7 | 150.3 | -69 | -14.8 | 0 | 0 | 0 | 118 | ||||
| 1586 | R | 27.4 | Very low | 26.1 | Very low | 220 Ų | 220 | 149 Ų | 149 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | 79.3 | 131.6 | 81.4 | -82.4 | -176.4 | 175.9 | -173.2 | 0.7 | 111.7 | |||||
| 1587 | I | 28.5 | Very low | 26.2 | Very low | 131 Ų | 131 | 145.2 Ų | 145.2 | 67% | 0.672 | 77% | 0.772 | S | S | * | * | cis | -152.5 | 149.4 | 13.5 | -93.2 | 141.1 | 0 | 0 | 0 | 108.8 | ||||
| 1588 | D | 27.1 | Very low | 26.4 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | trans | -172.8 | 123 | 133.6 | -105.4 | -19.4 | 0 | 0 | 0 | 111.7 | ||||
| 1589 | P | 27.7 | Very low | 26.5 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 66% | 0.662 | 78% | 0.777 | S | S | * | * | trans | -122.4 | 100.2 | -177.4 | 36.3 | -19.8 | 0 | 0 | 0 | 113.4 | ||||
| 1590 | N | 26 | Very low | 26.7 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | 173 | 88.7 | 152.2 | -93.3 | -33.9 | 0 | 0 | 0 | 111.5 | ||||
| 1591 | Q | 26.7 | Very low | 27.2 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 165.4 | 134.1 | 143.5 | -94.5 | 165.6 | 28.3 | 0 | 0 | 112.2 | ||
| 1592 | N | 23.7 | Very low | 27.9 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | trans | 60.3 | -169.4 | 165.6 | -47.5 | -23.7 | 0 | 0 | 0 | 114.1 | ||||
| 1593 | P | 27.6 | Very low | 28.9 | Very low | 103 Ų | 103 | 132.1 Ų | 132.1 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | -125.2 | -172.6 | -116.4 | 33.3 | -10.4 | 0 | 0 | 0 | 113.8 | |||||
| 1594 | D | 23.2 | Very low | 30.2 | Very low | 142 Ų | 142 | 125 Ų | 125 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | 65 | 138.1 | 156.4 | -55.8 | -33.5 | 0 | 0 | 0 | 120.6 | ||||
| 1595 | C | 23.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 85% | 0.845 | 70% | 0.701 | S | S | * | * | trans | 60.8 | 62.4 | 145.5 | -65.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1596 | I | 25.7 | Very low | 32.6 | Very low | 172 Ų | 172 | 122 Ų | 122 | 88% | 0.882 | 69% | 0.694 | S | S | * | * | trans | -131.4 | 114.3 | 136.1 | -53.2 | 179.5 | 0 | 0 | 0 | 108.2 | ||||
| 1597 | G | 26.2 | Very low | 34 | Very low | 73 Ų | 73 | 112 Ų | 112 | 75% | 0.753 | 66% | 0.658 | S | S | * | * | cis | 107.8 | 68.7 | -1.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1598 | S | 28 | Very low | 35.4 | Very low | 112 Ų | 112 | 108 Ų | 108 | 78% | 0.783 | 64% | 0.637 | S | S | * | * | trans | -144.4 | 65 | 168.1 | 65.2 | 0 | 0 | 0 | 0 | 111.5 | I1600 | S1598-I1600 PolarHBondContact O-N 2.97Š| ||
| 1599 | A | 27.7 | Very low | 37.1 | Very low | 90 Ų | 90 | 105.7 Ų | 105.7 | 74% | 0.744 | 62% | 0.624 | S | S | * | * | trans | 35.7 | 71.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | Q1601 | A1599-Q1601 PolarHBondContact O-N 2.76Å; A1599-Q1601 VanDerWaalsContact O-N 3.09Å | ||
| 1600 | I | 29.1 | Very low | 38.8 | Very low | 120 Ų | 120 | 101.3 Ų | 101.3 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | trans | -67.9 | 97.2 | 135.8 | -60.7 | 177.2 | 0 | 0 | 0 | 104.2 | S1598 | S1598-I1600 PolarHBondContact O-N 2.97Š| ||
| 1601 | Q | 35 | Very low | 40.6 | Very low | 154 Ų | 154 | 94.1 Ų | 94.1 | 72% | 0.72 | 56% | 0.558 | S | S | * | * | trans | -55 | 141.7 | 169.3 | -79.3 | -179.8 | -54.8 | 0 | 0 | 108 | A1599 | A1599-Q1601 PolarHBondContact O-N 2.76Å; A1599-Q1601 VanDerWaalsContact O-N 3.09Å | ||
| 1602 | P | 40.1 | Very low | 42.4 | Very low | 100 Ų | 100 | 90.8 Ų | 90.8 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | trans | -53.8 | 145.3 | 156.8 | 28.5 | -33.7 | 0 | 0 | 0 | 107.2 | S1604 | P1602-S1604 PolarHBondContact O-N 3.02Š| ||
| 1603 | P | 48 | Very low | 44.5 | Very low | 33 Ų | 33 | 87 Ų | 87 | 21% | 0.214 | 52% | 0.521 | C | S | . | . | trans | -44.7 | 131.2 | 170.9 | 16.7 | -29.3 | 0 | 0 | 0 | 108.9 | V1607 L1608 | P1603-V1607 HydrophobicContact CB-CB 4.14Å; P1603-V1607 HydrophobicContact CB-CG1 3.61Å; P1603-L1608 HydrophobicContact CB-CD2 4.36Å; P1603-L1608 HydrophobicContact CB-CG 4.06Å; P1603-L1608 HydrophobicContact CG-CD1 4.41Å; P1603-L1608 HydrophobicContact CG-CD2 3.73Å; P1603-L1608 HydrophobicContact CG-CG 3.82Å; P1603-L1608 WeakPolarHBondContact O-CD1 3.37Å; P1603-L1608 WeakPolarHBondContact O-CG 3.26Å | ||
| 1604 | S | 54.7 | Low | 46.3 | Very low | 38 Ų | 38 | 82.2 Ų | 82.2 | 27% | 0.266 | 49% | 0.49 | S | S | . | . | trans | -54 | 157.6 | -171.6 | 64.1 | 0 | 0 | 0 | 0 | 110.4 | P1602 D1606 V1607 L1608 | P1602-S1604 PolarHBondContact O-N 3.02Å; S1604-D1606 PolarHBondContact O-N 2.65Å; S1604-V1607 CarbonylContact O-C 3.38Å; S1604-V1607 PolarHBondContact O-N 3.25Å; S1604-V1607 WeakPolarHBondContact OG-CB 3.48Å; S1604-V1607 VanDerWaalsContact OG-CG2 3.28Å; S1604-V1607 WeakPolarHBondContact OG-CG2 3.44Å; S1604-V1607 PolarHBondContact OG-N 3.06Å; S1604-L1608 WeakPolarHBondContact O-CB 3.47Å; S1604-L1608 PolarHBondContact O-N 3.46Å | ||
| 1605 | P | 55.5 | Low | 48.4 | Very low | 93 Ų | 93 | 76.1 Ų | 76.1 | 60% | 0.604 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -48.9 | -36.1 | 174.6 | -28.2 | 36.7 | 0 | 0 | 0 | 112 | L1609 | P1605-L1609 WeakPolarHBondContact O-CB 3.23Å; P1605-L1609 WeakPolarHBondContact O-CD1 3.49Å; P1605-L1609 WeakPolarHBondContact O-CG 3.46Å; P1605-L1609 PolarHBondContact O-N 2.91Å |
| 1606 | D | 54.3 | Low | 50.3 | Low | 102 Ų | 102 | 73.3 Ų | 73.3 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -75.1 | -35.9 | 178.6 | -43.4 | -72.5 | 0 | 0 | 0 | 113.5 | S1604 A1610 | S1604-D1606 PolarHBondContact O-N 2.65Å; D1606-A1610 WeakPolarHBondContact O-CB 3.36Å; D1606-A1610 PolarHBondContact O-N 2.84Å |
| 1607 | V | 56.4 | Low | 52.2 | Low | 10 Ų | 10 | 68.6 Ų | 68.6 | 6% | 0.061 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -73.2 | -36.2 | 172.2 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | S1476 L1480 P1603 S1604 L1611 | S1476-V1607 WeakPolarHBondContact O-CG2 3.35Å; L1480-V1607 HydrophobicContact CD1-CG1 3.69Å; L1480-V1607 HydrophobicContact CG-CG1 4.42Å; P1603-V1607 HydrophobicContact CB-CB 4.14Å; P1603-V1607 HydrophobicContact CB-CG1 3.61Å; S1604-V1607 CarbonylContact O-C 3.38Å; S1604-V1607 PolarHBondContact O-N 3.25Å; S1604-V1607 WeakPolarHBondContact OG-CB 3.48Å; S1604-V1607 VanDerWaalsContact OG-CG2 3.28Å; S1604-V1607 WeakPolarHBondContact OG-CG2 3.44Å; S1604-V1607 PolarHBondContact OG-N 3.06Å; V1607-L1611 WeakPolarHBondContact O-CB 3.38Å; V1607-L1611 PolarHBondContact O-N 3.36Å |
| 1608 | L | 58.3 | Low | 54 | Low | 45 Ų | 45 | 65.3 Ų | 65.3 | 24% | 0.236 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.9 | -46.9 | 170.6 | -82.1 | 172.3 | 0 | 0 | 0 | 110.7 | V1441 P1603 S1604 A1610 L1611 F1612 | V1441-L1608 HydrophobicContact CG1-CD2 4.23Å; V1441-L1608 HydrophobicContact CG2-CD2 4.2Å; P1603-L1608 HydrophobicContact CB-CD2 4.36Å; P1603-L1608 HydrophobicContact CB-CG 4.06Å; P1603-L1608 HydrophobicContact CG-CD1 4.41Å; P1603-L1608 HydrophobicContact CG-CD2 3.73Å; P1603-L1608 HydrophobicContact CG-CG 3.82Å; P1603-L1608 WeakPolarHBondContact O-CD1 3.37Å; P1603-L1608 WeakPolarHBondContact O-CG 3.26Å; S1604-L1608 WeakPolarHBondContact O-CB 3.47Å; S1604-L1608 PolarHBondContact O-N 3.46Å; L1608-A1610 VanDerWaalsContact C-N 3.35Å; L1608-L1611 PolarHBondContact O-N 3.06Å; L1608-F1612 HydrophobicContact CB-CD2 4.37Å; L1608-F1612 HydrophobicContact CD2-CE2 4.15Å; L1608-F1612 VanDerWaalsContact O-CB 3.26Å; L1608-F1612 WeakPolarHBondContact O-CB 3.36Å; L1608-F1612 WeakPolarHBondContact O-CD2 3.12Å; L1608-F1612 WeakPolarHBondContact O-CG 3.42Å; L1608-F1612 PolarHBondContact O-N 3.4Å |
| 1609 | L | 62.1 | Low | 55.6 | Low | 114 Ų | 114 | 61.4 Ų | 61.4 | 60% | 0.597 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.9 | -41.8 | 175.8 | -77.9 | 166.1 | 0 | 0 | 0 | 111.1 | P1605 F1612 D1613 | P1605-L1609 WeakPolarHBondContact O-CB 3.23Å; P1605-L1609 WeakPolarHBondContact O-CD1 3.49Å; P1605-L1609 WeakPolarHBondContact O-CG 3.46Å; P1605-L1609 PolarHBondContact O-N 2.91Å; L1609-F1612 PolarHBondContact O-N 2.99Å; L1609-D1613 WeakPolarHBondContact O-CA 3.36Å; L1609-D1613 WeakPolarHBondContact O-CB 3.43Å; L1609-D1613 PolarHBondContact O-N 2.95Å |
| 1610 | A | 62.6 | Low | 57 | Low | 11 Ų | 11 | 62.2 Ų | 62.2 | 9% | 0.091 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1476 L1477 D1606 L1608 D1613 L1614 | S1476-A1610 VanDerWaalsContact OG-CB 3.23Å; S1476-A1610 WeakPolarHBondContact OG-CB 3.48Å; L1477-A1610 HydrophobicContact CD1-CB 4.4Å; L1477-A1610 HydrophobicContact CD2-CB 4.36Å; L1477-A1610 HydrophobicContact CG-CB 4.04Å; D1606-A1610 WeakPolarHBondContact O-CB 3.36Å; D1606-A1610 PolarHBondContact O-N 2.84Å; L1608-A1610 VanDerWaalsContact C-N 3.35Å; A1610-D1613 PolarHBondContact O-N 2.87Å; A1610-L1614 WeakPolarHBondContact O-CB 3.38Å; A1610-L1614 PolarHBondContact O-N 3.17Å |
| 1611 | L | 63.6 | Low | 58.2 | Low | 13 Ų | 13 | 60.5 Ų | 60.5 | 7% | 0.068 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.2 | -167.6 | 85.7 | 0 | 0 | 0 | 111.1 | A1440 V1441 I1457 V1607 L1608 V1615 | A1440-L1611 HydrophobicContact CB-CD2 4.42Å; V1441-L1611 HydrophobicContact CG2-CD2 3.51Å; I1457-L1611 HydrophobicContact CD1-CD1 4.31Å; I1457-L1611 HydrophobicContact CG2-CD1 4.41Å; V1607-L1611 WeakPolarHBondContact O-CB 3.38Å; V1607-L1611 PolarHBondContact O-N 3.36Å; L1608-L1611 PolarHBondContact O-N 3.06Å; L1611-V1615 WeakPolarHBondContact O-CB 3.25Å; L1611-V1615 WeakPolarHBondContact O-CG2 3.37Å; L1611-V1615 PolarHBondContact O-N 3.02Å |
| 1612 | F | 65.1 | Low | 58.9 | Low | 111 Ų | 111 | 55.4 Ų | 55.4 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | 175.8 | -82.4 | -58.8 | 0 | 0 | 0 | 112 | L1608 L1609 V1615 N1616 | L1608-F1612 HydrophobicContact CB-CD2 4.37Å; L1608-F1612 HydrophobicContact CD2-CE2 4.15Å; L1608-F1612 VanDerWaalsContact O-CB 3.26Å; L1608-F1612 WeakPolarHBondContact O-CB 3.36Å; L1608-F1612 WeakPolarHBondContact O-CD2 3.12Å; L1608-F1612 WeakPolarHBondContact O-CG 3.42Å; L1608-F1612 PolarHBondContact O-N 3.4Å; L1609-F1612 PolarHBondContact O-N 2.99Å; F1612-V1615 PolarHBondContact O-N 3.23Å; F1612-N1616 WeakPolarHBondContact O-CA 3.33Å; F1612-N1616 WeakPolarHBondContact O-CB 3.43Å; F1612-N1616 PolarHBondContact O-N 2.99Å; F1612-N1616 PolarHBondContact O-ND2 3.4Å; F1612-N1616 VanDerWaalsContact O-ND2 3.07Å |
| 1613 | D | 67.1 | Low | 59.1 | Low | 67 Ų | 67 | 52 Ų | 52 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.4 | -40.4 | 177.3 | -177.7 | 47.4 | 0 | 0 | 0 | 111.1 | L1609 A1610 N1616 K1617 | L1609-D1613 WeakPolarHBondContact O-CA 3.36Å; L1609-D1613 WeakPolarHBondContact O-CB 3.43Å; L1609-D1613 PolarHBondContact O-N 2.95Å; A1610-D1613 PolarHBondContact O-N 2.87Å; D1613-N1616 PolarHBondContact O-N 3.29Å; D1613-K1617 VanDerWaalsContact O-CB 3.28Å; D1613-K1617 WeakPolarHBondContact O-CB 3.43Å; D1613-K1617 WeakPolarHBondContact O-CD 3.42Å; D1613-K1617 WeakPolarHBondContact O-CG 3.36Å; D1613-K1617 PolarHBondContact O-N 3.13Å; D1613-K1617 IonicContact OD1-NZ 3.31Å; D1613-K1617 WeakPolarHBondContact OD2-CE 3.02Å; D1613-K1617 IonicContact OD2-NZ 3.72Å; D1613-K1617 PolarHBondContact OD2-NZ 3.31Å |
| 1614 | L | 66.7 | Low | 58.8 | Low | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.2 | -48.5 | 171 | -163.6 | 75.5 | 0 | 0 | 0 | 111.1 | I1457 A1461 L1465 L1470 L1477 A1610 N1616 K1617 L1618 | I1457-L1614 HydrophobicContact CG2-CD2 3.8Å; A1461-L1614 HydrophobicContact CB-CD1 3.74Å; A1461-L1614 HydrophobicContact CB-CD2 3.88Å; A1461-L1614 HydrophobicContact CB-CG 3.94Å; L1465-L1614 HydrophobicContact CD1-CD1 3.87Å; L1470-L1614 HydrophobicContact CD1-CD1 4.44Å; L1477-L1614 HydrophobicContact CD1-CD2 3.77Å; A1610-L1614 WeakPolarHBondContact O-CB 3.38Å; A1610-L1614 PolarHBondContact O-N 3.17Å; L1614-N1616 VanDerWaalsContact C-N 3.3Å; L1614-N1616 PolarHBondContact O-N 2.96Å; L1614-K1617 PolarHBondContact O-N 2.78Å; L1614-L1618 WeakPolarHBondContact O-CB 3.46Å; L1614-L1618 VanDerWaalsContact O-CG 3.24Å; L1614-L1618 WeakPolarHBondContact O-CG 3.47Å; L1614-L1618 PolarHBondContact O-N 2.86Å |
| 1615 | V | 66.2 | Low | 58.3 | Low | 15 Ų | 15 | 52.4 Ų | 52.4 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -33 | 176.5 | 167.1 | 0 | 0 | 0 | 0 | 111.6 | L1611 F1612 L1618 L1619 | L1611-V1615 WeakPolarHBondContact O-CB 3.25Å; L1611-V1615 WeakPolarHBondContact O-CG2 3.37Å; L1611-V1615 PolarHBondContact O-N 3.02Å; F1612-V1615 PolarHBondContact O-N 3.23Å; V1615-L1618 PolarHBondContact O-N 2.77Å; V1615-L1619 HydrophobicContact CG1-CD1 3.58Å; V1615-L1619 HydrophobicContact CG1-CG 4.27Å; V1615-L1619 VanDerWaalsContact O-CB 3.25Å; V1615-L1619 WeakPolarHBondContact O-CB 3.49Å; V1615-L1619 WeakPolarHBondContact O-CD1 3.39Å; V1615-L1619 WeakPolarHBondContact O-CG 3.1Å; V1615-L1619 PolarHBondContact O-N 3.23Å |
| 1616 | N | 64.6 | Low | 57.7 | Low | 66 Ų | 66 | 48.5 Ų | 48.5 | 35% | 0.353 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70.7 | -47.1 | 173.1 | -74.9 | -27.9 | 0 | 0 | 0 | 111.3 | F1612 D1613 L1614 L1618 L1619 V1620 | F1612-N1616 WeakPolarHBondContact O-CA 3.33Å; F1612-N1616 WeakPolarHBondContact O-CB 3.43Å; F1612-N1616 PolarHBondContact O-N 2.99Å; F1612-N1616 PolarHBondContact O-ND2 3.4Å; F1612-N1616 VanDerWaalsContact O-ND2 3.07Å; D1613-N1616 PolarHBondContact O-N 3.29Å; L1614-N1616 VanDerWaalsContact C-N 3.3Å; L1614-N1616 PolarHBondContact O-N 2.96Å; N1616-L1618 PolarHBondContact O-N 3.49Å; N1616-L1619 PolarHBondContact O-N 3.44Å; N1616-V1620 VanDerWaalsContact O-CB 3.32Å; N1616-V1620 WeakPolarHBondContact O-CB 3.42Å; N1616-V1620 WeakPolarHBondContact O-CG2 3.48Å; N1616-V1620 PolarHBondContact O-N 3.45Å |
| 1617 | K | 65.5 | Low | 56.9 | Low | 73 Ų | 73 | 44.7 Ų | 44.7 | 32% | 0.317 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.4 | -35.1 | 172.5 | -75.7 | 164.3 | 172.4 | 167.8 | 0 | 111.4 | L1465 S1473 D1613 L1614 P1621 | L1465-K1617 HydrophobicContact CD1-CB 4.11Å; L1465-K1617 HydrophobicContact CD2-CB 4.08Å; S1473-K1617 PolarHBondContact OG-NZ 3.31Å; D1613-K1617 VanDerWaalsContact O-CB 3.28Å; D1613-K1617 WeakPolarHBondContact O-CB 3.43Å; D1613-K1617 WeakPolarHBondContact O-CD 3.42Å; D1613-K1617 WeakPolarHBondContact O-CG 3.36Å; D1613-K1617 PolarHBondContact O-N 3.13Å; D1613-K1617 IonicContact OD1-NZ 3.31Å; D1613-K1617 WeakPolarHBondContact OD2-CE 3.02Å; D1613-K1617 IonicContact OD2-NZ 3.72Å; D1613-K1617 PolarHBondContact OD2-NZ 3.31Å; L1614-K1617 PolarHBondContact O-N 2.78Å; K1617-P1621 VanDerWaalsContact O-CD 3.23Å; K1617-P1621 WeakPolarHBondContact O-CD 3.42Å |
| 1618 | L | 63.5 | Low | 56.1 | Low | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.7 | -36.1 | 172.2 | -70.6 | -175.4 | 0 | 0 | 0 | 114.2 | L1433 A1461 F1464 L1465 L1614 V1615 N1616 Y1622 | L1433-L1618 HydrophobicContact CD1-CD1 4.47Å; L1433-L1618 HydrophobicContact CD2-CB 4.17Å; L1433-L1618 HydrophobicContact CD2-CD1 4.22Å; A1461-L1618 HydrophobicContact CB-CD1 4.45Å; F1464-L1618 HydrophobicContact CB-CD2 3.51Å; F1464-L1618 HydrophobicContact CD2-CD2 3.64Å; F1464-L1618 HydrophobicContact CG-CD2 4.09Å; L1465-L1618 HydrophobicContact CD1-CD2 4.49Å; L1465-L1618 HydrophobicContact CD2-CD2 4.44Å; L1465-L1618 HydrophobicContact CG-CD2 4.21Å; L1614-L1618 WeakPolarHBondContact O-CB 3.46Å; L1614-L1618 VanDerWaalsContact O-CG 3.24Å; L1614-L1618 WeakPolarHBondContact O-CG 3.47Å; L1614-L1618 PolarHBondContact O-N 2.86Å; V1615-L1618 PolarHBondContact O-N 2.77Å; N1616-L1618 PolarHBondContact O-N 3.49Å; L1618-Y1622 WeakPolarHBondContact O-CD2 3.19Å |
| 1619 | L | 61.6 | Low | 55.1 | Low | 30 Ų | 30 | 44.2 Ų | 44.2 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -84.1 | -30.3 | -178.3 | -77 | 167.3 | 0 | 0 | 0 | 113.9 | I1429 V1615 N1616 Y1622 G1623 V1626 T1636 | I1429-L1619 HydrophobicContact CG2-CD2 3.74Å; V1615-L1619 HydrophobicContact CG1-CD1 3.58Å; V1615-L1619 HydrophobicContact CG1-CG 4.27Å; V1615-L1619 VanDerWaalsContact O-CB 3.25Å; V1615-L1619 WeakPolarHBondContact O-CB 3.49Å; V1615-L1619 WeakPolarHBondContact O-CD1 3.39Å; V1615-L1619 WeakPolarHBondContact O-CG 3.1Å; V1615-L1619 PolarHBondContact O-N 3.23Å; N1616-L1619 PolarHBondContact O-N 3.44Å; L1619-Y1622 CarbonylContact O-C 3.57Å; L1619-Y1622 VanDerWaalsContact O-CA 3.31Å; L1619-Y1622 WeakPolarHBondContact O-CA 3.43Å; L1619-Y1622 PolarHBondContact O-N 3.06Å; L1619-G1623 PolarHBondContact O-N 3.19Å; L1619-V1626 HydrophobicContact CD2-CG2 3.88Å; L1619-T1636 HydrophobicContact CD1-CG2 3.86Å; L1619-T1636 HydrophobicContact CD2-CG2 4.36Å |
| 1620 | V | 56.2 | Low | 54.2 | Low | 108 Ų | 108 | 41.5 Ų | 41.5 | 66% | 0.655 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -56.4 | -46.3 | -174.9 | 157.3 | 0 | 0 | 0 | 0 | 112.7 | N1616 Y1622 G1623 | N1616-V1620 VanDerWaalsContact O-CB 3.32Å; N1616-V1620 WeakPolarHBondContact O-CB 3.42Å; N1616-V1620 WeakPolarHBondContact O-CG2 3.48Å; N1616-V1620 PolarHBondContact O-N 3.45Å; V1620-Y1622 PolarHBondContact O-N 3.03Å; V1620-G1623 WeakPolarHBondContact O-CA 3.08Å; V1620-G1623 PolarHBondContact O-N 3.18Å |
| 1621 | P | 54.8 | Low | 53.1 | Low | 84 Ų | 84 | 43.6 Ų | 43.6 | 55% | 0.545 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -67.6 | -21.1 | 175.5 | -16.7 | 30.4 | 0 | 0 | 0 | 113.1 | K1617 G1623 | K1617-P1621 VanDerWaalsContact O-CD 3.23Å; K1617-P1621 WeakPolarHBondContact O-CD 3.42Å; P1621-G1623 VanDerWaalsContact C-N 3.31Å |
| 1622 | Y | 50.6 | Low | 52.1 | Low | 46 Ų | 46 | 43.8 Ų | 43.8 | 18% | 0.18 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -97.5 | 11.5 | 175.9 | -59.7 | -85.7 | 0 | 0 | 0 | 111.4 | K1425 Q1426 I1429 L1618 L1619 V1620 N1624 S1625 V1626 | K1425-Y1622 HydrophobicContact CD-CE2 4.16Å; K1425-Y1622 WeakPolarHBondContact CD-OH 3.48Å; K1425-Y1622 WeakPolarHBondContact CE-OH 3.32Å; K1425-Y1622 HydrophobicContact CG-CE1 4.06Å; K1425-Y1622 HydrophobicContact CG-CE2 4.03Å; K1425-Y1622 WeakPolarHBondContact CG-OH 3.29Å; Q1426-Y1622 HydrophobicContact CB-CD1 4.46Å; I1429-Y1622 HydrophobicContact CD1-CD1 4.46Å; I1429-Y1622 HydrophobicContact CD1-CD2 3.4Å; I1429-Y1622 HydrophobicContact CD1-CE2 3.6Å; I1429-Y1622 HydrophobicContact CD1-CG 3.94Å; I1429-Y1622 HydrophobicContact CG2-CD2 4.34Å; I1429-Y1622 HydrophobicContact CG2-CG 4.15Å; L1618-Y1622 WeakPolarHBondContact O-CD2 3.19Å; L1619-Y1622 CarbonylContact O-C 3.57Å; L1619-Y1622 VanDerWaalsContact O-CA 3.31Å; L1619-Y1622 WeakPolarHBondContact O-CA 3.43Å; L1619-Y1622 PolarHBondContact O-N 3.06Å; V1620-Y1622 PolarHBondContact O-N 3.03Å; Y1622-N1624 PolarHBondContact O-N 3.3Å; Y1622-S1625 WeakPolarHBondContact CD1-OG 3.19Å; Y1622-S1625 PolarHBondContact O-N 2.94Å; Y1622-V1626 WeakPolarHBondContact O-CG2 3.14Å; Y1622-V1626 PolarHBondContact O-N 3.42Å |
| 1623 | G | 44.6 | Very low | 51.1 | Low | 28 Ų | 28 | 39.8 Ų | 39.8 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 7.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1619 V1620 P1621 R1640 | L1619-G1623 PolarHBondContact O-N 3.19Å; V1620-G1623 WeakPolarHBondContact O-CA 3.08Å; V1620-G1623 PolarHBondContact O-N 3.18Å; P1621-G1623 VanDerWaalsContact C-N 3.31Å; G1623-R1640 VanDerWaalsContact C-NE 3.32Å; G1623-R1640 PolarHBondContact O-NE 3.35Å; G1623-R1640 PolarHBondContact O-NH2 3.4Å; G1623-R1640 VanDerWaalsContact O-NH2 3.1Å |
| 1624 | N | 40.4 | Very low | 49.9 | Very low | 66 Ų | 66 | 37.9 Ų | 37.9 | 35% | 0.353 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -17.8 | 158.6 | -106.1 | 69.6 | 0 | 0 | 0 | 115.2 | E1332 Y1622 R1640 K1647 | E1332-N1624 PolarHBondContact OE1-ND2 2.74Å; Y1622-N1624 PolarHBondContact O-N 3.3Å; N1624-R1640 VanDerWaalsContact C-CZ 3.49Å; N1624-R1640 VanDerWaalsContact CA-CZ 3.45Å; N1624-R1640 VanDerWaalsContact CA-NH2 3.32Å; N1624-R1640 PolarHBondContact O-NH1 3.26Å; N1624-R1640 PolarHBondContact O-NH2 2.82Å; N1624-K1647 PolarHBondContact OD1-NZ 2.73Å |
| 1625 | S | 44.8 | Very low | 48.6 | Very low | 15 Ų | 15 | 41.4 Ų | 41.4 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -9 | -178.4 | 33.1 | 0 | 0 | 0 | 0 | 117.9 | Q1426 Y1622 T1628 R1640 | Q1426-S1625 VanDerWaalsContact CD-CB 3.44Å; Q1426-S1625 VanDerWaalsContact NE2-CB 3.33Å; Y1622-S1625 WeakPolarHBondContact CD1-OG 3.19Å; Y1622-S1625 PolarHBondContact O-N 2.94Å; S1625-T1628 PolarHBondContact O-OG1 2.93Å; S1625-T1628 VanDerWaalsContact O-OG1 3.1Å; S1625-R1640 VanDerWaalsContact N-NH1 3.14Å |
| 1626 | V | 43.3 | Very low | 47.5 | Very low | 10 Ų | 10 | 41.5 Ų | 41.5 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -80.9 | -28.3 | 179.2 | 173.4 | 0 | 0 | 0 | 0 | 115.9 | L1619 Y1622 T1628 I1632 T1636 | L1619-V1626 HydrophobicContact CD2-CG2 3.88Å; Y1622-V1626 WeakPolarHBondContact O-CG2 3.14Å; Y1622-V1626 PolarHBondContact O-N 3.42Å; V1626-T1628 PolarHBondContact O-N 3.08Å; V1626-T1628 VanDerWaalsContact O-N 3.13Å; V1626-I1632 HydrophobicContact CG1-CG2 4.35Å; V1626-T1636 HydrophobicContact CG1-CG2 3.95Å |
| 1627 | L | 36.8 | Very low | 46.6 | Very low | 23 Ų | 23 | 38.8 Ų | 38.8 | 12% | 0.12 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -30.8 | 175.2 | -94.9 | 177.1 | 0 | 0 | 0 | 112.7 | I1632 R1640 I1644 F1701 | L1627-I1632 WeakPolarHBondContact O-CD1 3.41Å; L1627-R1640 HydrophobicContact CD1-CB 4.44Å; L1627-R1640 HydrophobicContact CD2-CB 3.48Å; L1627-R1640 VanDerWaalsContact CD2-CB 3.48Å; L1627-R1640 HydrophobicContact CG-CB 3.58Å; L1627-R1640 HydrophobicContact CG-CG 4.39Å; L1627-I1644 HydrophobicContact CD1-CD1 3.58Å; L1627-I1644 HydrophobicContact CD1-CG1 4.24Å; L1627-I1644 HydrophobicContact CD2-CD1 4.17Å; L1627-F1701 HydrophobicContact CD2-CD2 4.18Å; L1627-F1701 HydrophobicContact CD2-CE1 4.37Å; L1627-F1701 HydrophobicContact CD2-CE2 3.26Å; L1627-F1701 HydrophobicContact CD2-CZ 3.36Å; L1627-F1701 HydrophobicContact CG-CE2 4.45Å; L1627-F1701 WeakPolarHBondContact O-CD2 3.19Å |
| 1628 | T | 39.7 | Very low | 45.7 | Very low | 24 Ų | 24 | 36.5 Ų | 36.5 | 15% | 0.147 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 2.8 | -152.1 | 45.5 | 0 | 0 | 0 | 0 | 111.2 | H1334 S1625 V1626 E1697 | H1334-T1628 HydrophobicContact CB-CG2 4.34Å; H1334-T1628 VanDerWaalsContact CD2-CB 3.42Å; H1334-T1628 WeakPolarHBondContact CD2-CB 3.19Å; H1334-T1628 PolarHBondContact CD2-OG1 2.94Å; H1334-T1628 VanDerWaalsContact CD2-OG1 3.3Å; H1334-T1628 PolarHBondContact CE1-OG1 2.95Å; H1334-T1628 WeakPolarHBondContact ND1-CB 3.47Å; H1334-T1628 PolarHBondContact ND1-O 3.46Å; H1334-T1628 PolarHBondContact ND1-OG1 2.91Å; H1334-T1628 PolarHBondContact NE2-OG1 3.47Å; S1625-T1628 PolarHBondContact O-OG1 2.93Å; S1625-T1628 VanDerWaalsContact O-OG1 3.1Å; V1626-T1628 PolarHBondContact O-N 3.08Å; V1626-T1628 VanDerWaalsContact O-N 3.13Å; T1628-E1697 VanDerWaalsContact CG2-OE2 3.29Å; T1628-E1697 WeakPolarHBondContact CG2-OE2 3.41Å |
| 1629 | C | 38.1 | Very low | 45 | Very low | 21 Ų | 21 | 40.1 Ų | 40.1 | 14% | 0.142 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -80.6 | 141.2 | 157.2 | -67.2 | 0 | 0 | 0 | 0 | 108.9 | C1430 E1631 I1632 | C1430-C1629 HydrophobicContact CB-CB 4.19Å; C1430-C1629 WeakPolarHBondContact CB-SG 3.25Å; C1629-E1631 VanDerWaalsContact C-N 3.27Å; C1629-E1631 PolarHBondContact O-N 3.05Å; C1629-I1632 WeakPolarHBondContact O-CG1 3.3Å |
| 1630 | P | 41.6 | Very low | 44.2 | Very low | 56 Ų | 56 | 39.6 Ų | 39.6 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -69.8 | -22.5 | -173 | 27 | -34.8 | 0 | 0 | 0 | 113.9 | L1700 N1704 | P1630-L1700 HydrophobicContact CB-CD2 4.41Å; P1630-N1704 PolarHBondContact O-ND2 2.82Å |
| 1631 | E | 41 | Very low | 43.8 | Very low | 55 Ų | 55 | 37.5 Ų | 37.5 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -108.7 | 62.9 | -169.1 | -70.2 | 147.4 | -170 | 0 | 0 | 110.6 | C1629 | C1629-E1631 VanDerWaalsContact C-N 3.27Å; C1629-E1631 PolarHBondContact O-N 3.05Å |
| 1632 | I | 42.8 | Very low | 43.6 | Very low | 17 Ų | 17 | 34.9 Ų | 34.9 | 9% | 0.087 | 20% | 0.202 | C | C | . | . | trans | -84.6 | 137.9 | -175.2 | -33.1 | 171.2 | 0 | 0 | 0 | 111.4 | V1626 L1627 C1629 A1637 F1701 | V1626-I1632 HydrophobicContact CG1-CG2 4.35Å; L1627-I1632 WeakPolarHBondContact O-CD1 3.41Å; C1629-I1632 WeakPolarHBondContact O-CG1 3.3Å; I1632-A1637 HydrophobicContact CB-CB 4.19Å; I1632-A1637 HydrophobicContact CD1-CB 4.42Å; I1632-A1637 HydrophobicContact CG2-CB 3.86Å; I1632-F1701 HydrophobicContact CD1-CD2 3.77Å; I1632-F1701 HydrophobicContact CD1-CE2 3.58Å | ||
| 1633 | T | 42.9 | Very low | 43.5 | Very low | 27 Ų | 27 | 35.7 Ų | 35.7 | 17% | 0.166 | 21% | 0.214 | C | C | . | . | trans | -72.8 | 142.8 | 168.2 | 85.9 | 0 | 0 | 0 | 0 | 110.6 | P1434 P1635 T1636 A1637 | P1434-T1633 HydrophobicContact CB-CG2 3.8Å; T1633-P1635 VanDerWaalsContact C-CD 3.5Å; T1633-P1635 VanDerWaalsContact C-N 3.31Å; T1633-T1636 PolarHBondContact O-N 3.05Å; T1633-T1636 PolarHBondContact O-OG1 3.35Å; T1633-T1636 PolarHBondContact OG1-OG1 3.21Å; T1633-A1637 PolarHBondContact O-N 3.23Å | ||
| 1634 | A | 42.4 | Very low | 43.7 | Very low | 27 Ų | 27 | 37.7 Ų | 37.7 | 22% | 0.223 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -52.8 | -38.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | F1638 | A1634-F1638 VanDerWaalsContact O-CB 3.31Å; A1634-F1638 WeakPolarHBondContact O-CB 3.35Å; A1634-F1638 PolarHBondContact O-N 3.13Å |
| 1635 | P | 39.1 | Very low | 43.9 | Very low | 75 Ų | 75 | 35.6 Ų | 35.6 | 49% | 0.487 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 171.5 | -26.2 | 35.8 | 0 | 0 | 0 | 114.6 | T1633 F1638 L1639 | T1633-P1635 VanDerWaalsContact C-CD 3.5Å; T1633-P1635 VanDerWaalsContact C-N 3.31Å; P1635-F1638 PolarHBondContact O-N 3.32Å; P1635-L1639 WeakPolarHBondContact O-CB 3.17Å; P1635-L1639 WeakPolarHBondContact O-CG 3.23Å; P1635-L1639 PolarHBondContact O-N 3.17Å |
| 1636 | T | 43.7 | Very low | 43.8 | Very low | 18 Ų | 18 | 38 Ų | 38 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -73.3 | -31.8 | 178.5 | 25.4 | 0 | 0 | 0 | 0 | 112.9 | L1619 V1626 T1633 R1640 | L1619-T1636 HydrophobicContact CD1-CG2 3.86Å; L1619-T1636 HydrophobicContact CD2-CG2 4.36Å; V1626-T1636 HydrophobicContact CG1-CG2 3.95Å; T1633-T1636 PolarHBondContact O-N 3.05Å; T1633-T1636 PolarHBondContact O-OG1 3.35Å; T1633-T1636 PolarHBondContact OG1-OG1 3.21Å; T1636-R1640 PolarHBondContact O-N 2.82Å; T1636-R1640 VanDerWaalsContact O-N 3.16Å |
| 1637 | A | 45.7 | Very low | 43.9 | Very low | 8 Ų | 8 | 43 Ų | 43 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1632 T1633 L1641 F1705 | I1632-A1637 HydrophobicContact CB-CB 4.19Å; I1632-A1637 HydrophobicContact CD1-CB 4.42Å; I1632-A1637 HydrophobicContact CG2-CB 3.86Å; T1633-A1637 PolarHBondContact O-N 3.23Å; A1637-L1641 WeakPolarHBondContact O-CB 3.26Å; A1637-L1641 PolarHBondContact O-N 3.06Å; A1637-F1705 HydrophobicContact CB-CE2 3.8Å; A1637-F1705 HydrophobicContact CB-CZ 4.12Å |
| 1638 | F | 45.9 | Very low | 44.1 | Very low | 25 Ų | 25 | 45.3 Ų | 45.3 | 11% | 0.11 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.2 | -49.7 | 175.9 | -178.1 | -82.2 | 0 | 0 | 0 | 112.2 | A1634 P1635 R1640 L1641 L1642 L1710 L1718 | A1634-F1638 VanDerWaalsContact O-CB 3.31Å; A1634-F1638 WeakPolarHBondContact O-CB 3.35Å; A1634-F1638 PolarHBondContact O-N 3.13Å; P1635-F1638 PolarHBondContact O-N 3.32Å; F1638-R1640 PolarHBondContact O-N 3.07Å; F1638-L1641 WeakPolarHBondContact O-CB 3.32Å; F1638-L1641 PolarHBondContact O-N 3.47Å; F1638-L1642 HydrophobicContact CE1-CB 4.19Å; F1638-L1642 HydrophobicContact CE1-CD1 4.49Å; F1638-L1642 HydrophobicContact CE1-CD2 4.22Å; F1638-L1642 WeakPolarHBondContact O-CB 3.42Å; F1638-L1642 PolarHBondContact O-N 3.18Å; F1638-L1710 HydrophobicContact CB-CD2 4.47Å; F1638-L1710 HydrophobicContact CD2-CD2 4.34Å; F1638-L1718 HydrophobicContact CD1-CD1 4.04Å; F1638-L1718 HydrophobicContact CE1-CB 4.23Å; F1638-L1718 HydrophobicContact CE1-CD1 3.53Å; F1638-L1718 HydrophobicContact CE1-CD2 3.93Å; F1638-L1718 HydrophobicContact CE1-CG 4.07Å; F1638-L1718 HydrophobicContact CE2-CD1 4.42Å; F1638-L1718 HydrophobicContact CZ-CB 3.75Å; F1638-L1718 HydrophobicContact CZ-CD1 3.74Å; F1638-L1718 HydrophobicContact CZ-CD2 4.28Å; F1638-L1718 HydrophobicContact CZ-CG 4.1Å |
| 1639 | L | 48.7 | Very low | 44.1 | Very low | 80 Ų | 80 | 44.4 Ų | 44.4 | 42% | 0.419 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -55.9 | -38.9 | 179.8 | -83.1 | 169.4 | 0 | 0 | 0 | 111.6 | P1635 L1642 C1643 | P1635-L1639 WeakPolarHBondContact O-CB 3.17Å; P1635-L1639 WeakPolarHBondContact O-CG 3.23Å; P1635-L1639 PolarHBondContact O-N 3.17Å; L1639-L1642 WeakPolarHBondContact O-CB 3.23Å; L1639-L1642 PolarHBondContact O-N 3.02Å; L1639-C1643 PolarHBondContact O-N 2.59Å; L1639-C1643 PolarHBondContact O-SG 3.27Å |
| 1640 | R | 44.4 | Very low | 44.1 | Very low | 18 Ų | 18 | 47.5 Ų | 47.5 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -85.7 | -24.4 | -179.3 | -63.1 | -158.2 | 63 | -152.6 | -19.1 | 114.7 | G1623 N1624 S1625 L1627 T1636 F1638 L1642 C1643 I1644 | G1623-R1640 VanDerWaalsContact C-NE 3.32Å; G1623-R1640 PolarHBondContact O-NE 3.35Å; G1623-R1640 PolarHBondContact O-NH2 3.4Å; G1623-R1640 VanDerWaalsContact O-NH2 3.1Å; N1624-R1640 VanDerWaalsContact C-CZ 3.49Å; N1624-R1640 VanDerWaalsContact CA-CZ 3.45Å; N1624-R1640 VanDerWaalsContact CA-NH2 3.32Å; N1624-R1640 PolarHBondContact O-NH1 3.26Å; N1624-R1640 PolarHBondContact O-NH2 2.82Å; S1625-R1640 VanDerWaalsContact N-NH1 3.14Å; L1627-R1640 HydrophobicContact CD1-CB 4.44Å; L1627-R1640 HydrophobicContact CD2-CB 3.48Å; L1627-R1640 VanDerWaalsContact CD2-CB 3.48Å; L1627-R1640 HydrophobicContact CG-CB 3.58Å; L1627-R1640 HydrophobicContact CG-CG 4.39Å; T1636-R1640 PolarHBondContact O-N 2.82Å; T1636-R1640 VanDerWaalsContact O-N 3.16Å; F1638-R1640 PolarHBondContact O-N 3.07Å; R1640-L1642 VanDerWaalsContact C-N 3.31Å; R1640-C1643 PolarHBondContact O-N 2.94Å; R1640-I1644 WeakPolarHBondContact O-CG1 3.47Å; R1640-I1644 PolarHBondContact O-N 2.88Å |
| 1641 | L | 48.2 | Very low | 43.6 | Very low | 65 Ų | 65 | 52.5 Ų | 52.5 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 160.6 | -174 | 79.5 | 0 | 0 | 0 | 110 | A1637 F1638 I1644 L1645 F1701 | A1637-L1641 WeakPolarHBondContact O-CB 3.26Å; A1637-L1641 PolarHBondContact O-N 3.06Å; F1638-L1641 WeakPolarHBondContact O-CB 3.32Å; F1638-L1641 PolarHBondContact O-N 3.47Å; L1641-I1644 PolarHBondContact O-N 3.49Å; L1641-L1645 HydrophobicContact CG-CD1 4.13Å; L1641-L1645 WeakPolarHBondContact O-CG 3.4Å; L1641-L1645 PolarHBondContact O-N 2.96Å; L1641-F1701 HydrophobicContact CD1-CE1 4.44Å |
| 1642 | L | 50.9 | Low | 43.2 | Very low | 29 Ų | 29 | 54.5 Ų | 54.5 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 176.4 | -169.2 | 75.2 | 0 | 0 | 0 | 111.6 | F1638 L1639 R1640 I1644 L1645 L1646 L1722 | F1638-L1642 HydrophobicContact CE1-CB 4.19Å; F1638-L1642 HydrophobicContact CE1-CD1 4.49Å; F1638-L1642 HydrophobicContact CE1-CD2 4.22Å; F1638-L1642 WeakPolarHBondContact O-CB 3.42Å; F1638-L1642 PolarHBondContact O-N 3.18Å; L1639-L1642 WeakPolarHBondContact O-CB 3.23Å; L1639-L1642 PolarHBondContact O-N 3.02Å; R1640-L1642 VanDerWaalsContact C-N 3.31Å; L1642-I1644 PolarHBondContact O-N 3.42Å; L1642-L1645 PolarHBondContact O-N 2.74Å; L1642-L1646 HydrophobicContact CD2-CD1 4.27Å; L1642-L1646 HydrophobicContact CG-CD1 3.88Å; L1642-L1646 HydrophobicContact CG-CG 4.36Å; L1642-L1646 VanDerWaalsContact O-CB 3.28Å; L1642-L1646 WeakPolarHBondContact O-CB 3.41Å; L1642-L1646 VanDerWaalsContact O-CG 3.26Å; L1642-L1646 WeakPolarHBondContact O-CG 3.48Å; L1642-L1646 PolarHBondContact O-N 2.76Å; L1642-L1722 HydrophobicContact CD1-CD1 3.94Å |
| 1643 | C | 47.4 | Very low | 42.3 | Very low | 62 Ų | 62 | 59.3 Ų | 59.3 | 42% | 0.419 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.2 | -30.3 | 176.6 | -69 | 0 | 0 | 0 | 0 | 113.9 | L1639 R1640 K1647 | L1639-C1643 PolarHBondContact O-N 2.59Å; L1639-C1643 PolarHBondContact O-SG 3.27Å; R1640-C1643 PolarHBondContact O-N 2.94Å; C1643-K1647 VanDerWaalsContact O-CB 3.29Å; C1643-K1647 WeakPolarHBondContact O-CB 3.43Å; C1643-K1647 WeakPolarHBondContact O-CG 3.35Å; C1643-K1647 PolarHBondContact O-N 2.89Å |
| 1644 | I | 49.1 | Very low | 41.4 | Very low | 71 Ų | 71 | 64.7 Ų | 64.7 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -55.5 | 169 | -72.9 | 164.5 | 0 | 0 | 0 | 109.1 | L1627 R1640 L1641 L1642 L1646 K1647 C1648 | L1627-I1644 HydrophobicContact CD1-CD1 3.58Å; L1627-I1644 HydrophobicContact CD1-CG1 4.24Å; L1627-I1644 HydrophobicContact CD2-CD1 4.17Å; R1640-I1644 WeakPolarHBondContact O-CG1 3.47Å; R1640-I1644 PolarHBondContact O-N 2.88Å; L1641-I1644 PolarHBondContact O-N 3.49Å; L1642-I1644 PolarHBondContact O-N 3.42Å; I1644-L1646 VanDerWaalsContact C-N 3.25Å; I1644-L1646 PolarHBondContact O-N 2.82Å; I1644-K1647 PolarHBondContact O-N 3.23Å; I1644-K1647 VanDerWaalsContact O-N 3.13Å; I1644-C1648 PolarHBondContact O-N 2.69Å; I1644-C1648 PolarHBondContact O-SG 3.26Å; I1644-C1648 VanDerWaalsContact O-SG 3.33Å |
| 1645 | L | 44.7 | Very low | 40.6 | Very low | 21 Ų | 21 | 70.3 Ų | 70.3 | 11% | 0.11 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.7 | -34.6 | -177.2 | -69.3 | 169.8 | 0 | 0 | 0 | 112.3 | L1641 L1642 A1649 L1770 L1774 | L1641-L1645 HydrophobicContact CG-CD1 4.13Å; L1641-L1645 WeakPolarHBondContact O-CG 3.4Å; L1641-L1645 PolarHBondContact O-N 2.96Å; L1642-L1645 PolarHBondContact O-N 2.74Å; L1645-A1649 WeakPolarHBondContact O-CB 3.45Å; L1645-A1649 PolarHBondContact O-N 3.13Å; L1645-L1770 HydrophobicContact CB-CD1 3.76Å; L1645-L1770 HydrophobicContact CB-CG 4.06Å; L1645-L1770 HydrophobicContact CD2-CG 4.44Å; L1645-L1774 HydrophobicContact CD2-CD2 4.39Å; L1645-L1774 HydrophobicContact CD2-CG 4.26Å |
| 1646 | L | 43.6 | Very low | 39.9 | Very low | 65 Ų | 65 | 75.5 Ų | 75.5 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.4 | -42.5 | 173.1 | -72 | 172.9 | 0 | 0 | 0 | 112.8 | L1642 I1644 C1648 A1649 S1650 V1766 | L1642-L1646 HydrophobicContact CD2-CD1 4.27Å; L1642-L1646 HydrophobicContact CG-CD1 3.88Å; L1642-L1646 HydrophobicContact CG-CG 4.36Å; L1642-L1646 VanDerWaalsContact O-CB 3.28Å; L1642-L1646 WeakPolarHBondContact O-CB 3.41Å; L1642-L1646 VanDerWaalsContact O-CG 3.26Å; L1642-L1646 WeakPolarHBondContact O-CG 3.48Å; L1642-L1646 PolarHBondContact O-N 2.76Å; I1644-L1646 VanDerWaalsContact C-N 3.25Å; I1644-L1646 PolarHBondContact O-N 2.82Å; L1646-C1648 VanDerWaalsContact C-N 3.28Å; L1646-C1648 PolarHBondContact O-N 3.01Å; L1646-A1649 CarbonylContact O-C 3.59Å; L1646-A1649 PolarHBondContact O-N 2.84Å; L1646-S1650 VanDerWaalsContact O-CB 3.3Å; L1646-S1650 WeakPolarHBondContact O-CB 3.48Å; L1646-S1650 PolarHBondContact O-N 3.27Å; L1646-S1650 PolarHBondContact O-OG 2.85Å; L1646-V1766 HydrophobicContact CD2-CG1 4.2Å |
| 1647 | K | 44.6 | Very low | 38.8 | Very low | 117 Ų | 117 | 83.8 Ų | 83.8 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 173.4 | -88.7 | -178.6 | 172.9 | 177.3 | 0 | 111.5 | N1624 C1643 I1644 A1649 | N1624-K1647 PolarHBondContact OD1-NZ 2.73Å; C1643-K1647 VanDerWaalsContact O-CB 3.29Å; C1643-K1647 WeakPolarHBondContact O-CB 3.43Å; C1643-K1647 WeakPolarHBondContact O-CG 3.35Å; C1643-K1647 PolarHBondContact O-N 2.89Å; I1644-K1647 PolarHBondContact O-N 3.23Å; I1644-K1647 VanDerWaalsContact O-N 3.13Å; K1647-A1649 VanDerWaalsContact C-N 3.29Å |
| 1648 | C | 41.4 | Very low | 37.8 | Very low | 70 Ų | 70 | 94.3 Ų | 94.3 | 47% | 0.473 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75.8 | -16.3 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 113 | I1644 L1646 T1773 | I1644-C1648 PolarHBondContact O-N 2.69Å; I1644-C1648 PolarHBondContact O-SG 3.26Å; I1644-C1648 VanDerWaalsContact O-SG 3.33Å; L1646-C1648 VanDerWaalsContact C-N 3.28Å; L1646-C1648 PolarHBondContact O-N 3.01Å; C1648-T1773 HydrophobicContact CB-CG2 3.53Å |
| 1649 | A | 38.8 | Very low | 36.7 | Very low | 6 Ų | 6 | 98 Ų | 98 | 5% | 0.05 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -96.6 | -16.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1645 L1646 K1647 V1766 N1769 | L1645-A1649 WeakPolarHBondContact O-CB 3.45Å; L1645-A1649 PolarHBondContact O-N 3.13Å; L1646-A1649 CarbonylContact O-C 3.59Å; L1646-A1649 PolarHBondContact O-N 2.84Å; K1647-A1649 VanDerWaalsContact C-N 3.29Å; A1649-V1766 HydrophobicContact CB-CG1 4.27Å; A1649-N1769 HydrophobicContact CB-CB 3.78Å; A1649-N1769 PolarHBondContact O-ND2 3.49Å |
| 1650 | S | 38.6 | Very low | 35.6 | Very low | 86 Ų | 86 | 99.7 Ų | 99.7 | 60% | 0.601 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -99.9 | 18.2 | -175.4 | 77.1 | 0 | 0 | 0 | 0 | 114.7 | L1646 | L1646-S1650 VanDerWaalsContact O-CB 3.3Å; L1646-S1650 WeakPolarHBondContact O-CB 3.48Å; L1646-S1650 PolarHBondContact O-N 3.27Å; L1646-S1650 PolarHBondContact O-OG 2.85Å |
| 1651 | Q | 32.4 | Very low | 34.7 | Very low | 161 Ų | 161 | 103.5 Ų | 103.5 | 75% | 0.752 | 56% | 0.56 | S | S | * | * | trans | -117.7 | 81.5 | 172.6 | -68.4 | -163.1 | -58.5 | 0 | 0 | 110.1 | C1653 | Q1651-C1653 PolarHBondContact O-N 2.91Š| ||
| 1652 | D | 31.3 | Very low | 33.6 | Very low | 96 Ų | 96 | 106.9 Ų | 106.9 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | trans | -65.3 | 121.8 | -179.9 | -76 | -53.9 | 0 | 0 | 0 | 112.4 | Y1654 N1769 | D1652-Y1654 VanDerWaalsContact C-N 3.27Å; D1652-Y1654 HydrophobicContact CB-CD2 4.46Å; D1652-Y1654 PolarHBondContact O-N 3.4Å; D1652-N1769 PolarHBondContact OD1-ND2 3.42Å | ||
| 1653 | C | 24.3 | Very low | 32.3 | Very low | 119 Ų | 119 | 111.4 Ų | 111.4 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | trans | -77.4 | 69 | 178.8 | -69.6 | 0 | 0 | 0 | 0 | 112.4 | Q1651 | Q1651-C1653 PolarHBondContact O-N 2.91Š| ||
| 1654 | Y | 24.3 | Very low | 31.2 | Very low | 140 Ų | 140 | 113.9 Ų | 113.9 | 55% | 0.549 | 62% | 0.616 | S | S | . | * | trans | -126.9 | 67.2 | 179.7 | -90.5 | -86 | 0 | 0 | 0 | 113.1 | D1652 | D1652-Y1654 VanDerWaalsContact C-N 3.27Å; D1652-Y1654 HydrophobicContact CB-CD2 4.46Å; D1652-Y1654 PolarHBondContact O-N 3.4Å | ||
| 1655 | T | 26.5 | Very low | 29.9 | Very low | 144 Ų | 144 | 116.6 Ų | 116.6 | 88% | 0.883 | 63% | 0.631 | S | S | * | * | trans | -167.2 | 30 | 155.2 | 8.9 | 0 | 0 | 0 | 0 | 115.9 | K1657 | T1655-K1657 PolarHBondContact O-N 2.89Š| ||
| 1656 | L | 22.7 | Very low | 29.1 | Very low | 184 Ų | 184 | 122.4 Ų | 122.4 | 96% | 0.963 | 67% | 0.667 | S | S | * | * | trans | -99.9 | 70.5 | 170.2 | -79.6 | 172 | 0 | 0 | 0 | 111.9 | ||||
| 1657 | K | 21.6 | Very low | 28.2 | Very low | 193 Ų | 193 | 124.7 Ų | 124.7 | 84% | 0.839 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -154.8 | 141.5 | 167.7 | -132.8 | 172.5 | -171.9 | 173.6 | 0 | 113.2 | T1655 S1659 | T1655-K1657 PolarHBondContact O-N 2.89Å; K1657-S1659 PolarHBondContact O-N 2.69Å |
| 1658 | Y | 23.8 | Very low | 27.2 | Very low | 229 Ų | 229 | 123.4 Ų | 123.4 | 90% | 0.898 | 69% | 0.69 | S | S | * | * | trans | -19.4 | 116.3 | 165.1 | -75.8 | -102 | 0 | 0 | 0 | 117.7 | ||||
| 1659 | S | 22.6 | Very low | 26.4 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | 177.7 | 113.9 | 120.3 | 53.2 | 0 | 0 | 0 | 0 | 108.9 | K1657 | K1657-S1659 PolarHBondContact O-N 2.69Š| |||
| 1660 | S | 26.2 | Very low | 25.9 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | 67.9 | 67.1 | 66.3 | 81.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1661 | S | 25.1 | Very low | 25.5 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | trans | -141.1 | 99.1 | 143 | 60.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1662 | N | 25.3 | Very low | 25.3 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | 92.6 | 131.1 | 93.3 | -72.1 | -11.1 | 0 | 0 | 0 | 110.6 | |||||
| 1663 | N | 24.1 | Very low | 25.1 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | cis | -168.9 | 163.4 | -11.6 | -120.3 | -13 | 0 | 0 | 0 | 109 | ||||
| 1664 | T | 23.4 | Very low | 25 | Very low | 114 Ų | 114 | 134.3 Ų | 134.3 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | 48.7 | 128.9 | 144.9 | 58.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1665 | L | 23.3 | Very low | 25 | Very low | 129 Ų | 129 | 135 Ų | 135 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | cis | -148.4 | 158 | 8.1 | -66.6 | 103.7 | 0 | 0 | 0 | 107.5 | T1667 | L1665-T1667 HydrophobicContact CD2-CG2 3.78Š| ||
| 1666 | V | 27 | Very low | 24.8 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | cis | 62.7 | 72.7 | 3.1 | -165.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1667 | T | 24.1 | Very low | 24.9 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 69% | 0.693 | 73% | 0.728 | S | S | * | * | trans | -153.8 | 140.3 | 150.6 | 35.4 | 0 | 0 | 0 | 0 | 108.2 | L1665 | L1665-T1667 HydrophobicContact CD2-CG2 3.78Š| ||
| 1668 | S | 23.4 | Very low | 25.1 | Very low | 90 Ų | 90 | 130.2 Ų | 130.2 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | cis | -169.8 | 131.4 | -14.2 | 45.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1669 | N | 26.1 | Very low | 25.2 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | 163 | 157.1 | 87.6 | -92.1 | -45.6 | 0 | 0 | 0 | 105.7 | |||||
| 1670 | S | 27.9 | Very low | 25.4 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | cis | 145.9 | 151.8 | 8.9 | -179.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1671 | P | 30.2 | Very low | 25.4 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 53% | 0.532 | 71% | 0.714 | S | S | . | * | cis | -139.4 | -155.7 | -28.3 | 36.1 | -14.6 | 0 | 0 | 0 | 112.6 | ||||
| 1672 | Y | 28.8 | Very low | 25.6 | Very low | 207 Ų | 207 | 127.4 Ų | 127.4 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | 82.4 | 132.5 | 168.8 | -54.9 | -67.1 | 0 | 0 | 0 | 118.3 | ||||
| 1673 | H | 25.5 | Very low | 25.8 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | cis | 178.6 | 137.9 | -38.6 | -119.2 | -76.4 | 0 | 0 | 0 | 106.3 | ||||
| 1674 | A | 24 | Very low | 26.1 | Very low | 71 Ų | 71 | 125 Ų | 125 | 59% | 0.587 | 69% | 0.688 | S | S | * | * | trans | 67.4 | 105.9 | 146.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1675 | N | 22.5 | Very low | 26.5 | Very low | 153 Ų | 153 | 123 Ų | 123 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | 64.5 | 110.2 | 119.6 | -53.1 | -6.9 | 0 | 0 | 0 | 120.8 | |||||
| 1676 | S | 23.8 | Very low | 26.9 | Very low | 114 Ų | 114 | 120.4 Ų | 120.4 | 80% | 0.797 | 67% | 0.668 | S | S | * | * | -171 | 103.7 | 114.2 | 28.8 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1677 | S | 23.6 | Very low | 27.2 | Very low | 91 Ų | 91 | 118.7 Ų | 118.7 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | trans | 30.8 | 104.3 | 135.3 | 46.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1678 | K | 27 | Very low | 27.7 | Very low | 217 Ų | 217 | 118.8 Ų | 118.8 | 94% | 0.943 | 64% | 0.641 | S | S | * | * | trans | -143.4 | 104.8 | 138.6 | -104.4 | 172.8 | -173.5 | 171.9 | 0 | 109.4 | ||||
| 1679 | H | 26.4 | Very low | 28.2 | Very low | 175 Ų | 175 | 120 Ų | 120 | 81% | 0.81 | 64% | 0.635 | S | S | * | * | trans | -112.9 | 143.2 | -173.2 | -121.3 | -88.5 | 0 | 0 | 0 | 110.9 | ||||
| 1680 | I | 26.2 | Very low | 28.7 | Very low | 73 Ų | 73 | 114.3 Ų | 114.3 | 37% | 0.374 | 60% | 0.604 | S | S | . | * | trans | 70.1 | 98.9 | 159.9 | -47.9 | 156.9 | 0 | 0 | 0 | 116.8 | Y1979 | I1680-Y1979 HydrophobicContact CD1-CD2 4.41Å; I1680-Y1979 HydrophobicContact CD1-CE2 3.69Å | ||
| 1681 | D | 26.2 | Very low | 29.1 | Very low | 158 Ų | 158 | 114.4 Ų | 114.4 | 85% | 0.845 | 60% | 0.595 | S | S | * | * | trans | -128.2 | 31.1 | 139.8 | -92.9 | -45.6 | 0 | 0 | 0 | 109.8 | Y1683 | D1681-Y1683 PolarHBondContact O-N 3.15Š| ||
| 1682 | S | 29.5 | Very low | 29.6 | Very low | 79 Ų | 79 | 116.6 Ų | 116.6 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 34.3 | -176.4 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | S1685 | S1682-S1685 PolarHBondContact O-OG 2.91Š|
| 1683 | Y | 28.7 | Very low | 30 | Very low | 116 Ų | 116 | 111.2 Ų | 111.2 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.3 | -23.8 | -176.3 | -129.2 | -76.7 | 0 | 0 | 0 | 112.5 | D1681 T1686 K1687 I1881 | D1681-Y1683 PolarHBondContact O-N 3.15Å; Y1683-T1686 PolarHBondContact O-OG1 3.26Å; Y1683-K1687 WeakPolarHBondContact O-CB 3.33Å; Y1683-I1881 HydrophobicContact CE2-CD1 4.33Å; Y1683-I1881 WeakPolarHBondContact OH-CG1 3.29Å; Y1683-I1881 WeakPolarHBondContact OH-CG2 3.37Å |
| 1684 | D | 30 | Very low | 30.4 | Very low | 94 Ų | 94 | 104.8 Ų | 104.8 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -77.2 | -23.3 | 171.9 | -83.9 | -40 | 0 | 0 | 0 | 112 | K1687 E1688 | D1684-K1687 CarbonylContact O-C 3.5Å; D1684-K1687 PolarHBondContact O-N 2.91Å; D1684-K1687 IonicContact OD1-NZ 3.15Å; D1684-K1687 PolarHBondContact OD1-NZ 2.76Å; D1684-E1688 WeakPolarHBondContact O-CB 3.42Å; D1684-E1688 WeakPolarHBondContact O-CG 3.4Å; D1684-E1688 PolarHBondContact O-N 2.7Å |
| 1685 | S | 31.9 | Very low | 31 | Very low | 70 Ų | 70 | 104.2 Ų | 104.2 | 49% | 0.49 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.8 | -37.5 | 178.7 | 55.1 | 0 | 0 | 0 | 0 | 114 | S1682 F1689 | S1682-S1685 PolarHBondContact O-OG 2.91Å; S1685-F1689 VanDerWaalsContact O-CB 3.28Å; S1685-F1689 WeakPolarHBondContact O-CB 3.32Å; S1685-F1689 PolarHBondContact O-N 3.04Å |
| 1686 | T | 32.7 | Very low | 31.8 | Very low | 75 Ų | 75 | 100 Ų | 100 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.7 | -37.3 | 172.4 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | Y1683 F1689 I1690 | Y1683-T1686 PolarHBondContact O-OG1 3.26Å; T1686-F1689 PolarHBondContact O-N 2.91Å; T1686-I1690 WeakPolarHBondContact O-CD1 3.27Å; T1686-I1690 VanDerWaalsContact O-CG1 3.25Å; T1686-I1690 WeakPolarHBondContact O-CG1 3.49Å; T1686-I1690 PolarHBondContact O-N 3.05Å |
| 1687 | K | 33.6 | Very low | 32.5 | Very low | 108 Ų | 108 | 97.1 Ų | 97.1 | 47% | 0.47 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 175.7 | -176.3 | 174.2 | 146.1 | -137.8 | 0 | 112.2 | Y1683 D1684 Q1691 | Y1683-K1687 WeakPolarHBondContact O-CB 3.33Å; D1684-K1687 CarbonylContact O-C 3.5Å; D1684-K1687 PolarHBondContact O-N 2.91Å; D1684-K1687 IonicContact OD1-NZ 3.15Å; D1684-K1687 PolarHBondContact OD1-NZ 2.76Å; K1687-Q1691 VanDerWaalsContact O-CB 3.28Å; K1687-Q1691 WeakPolarHBondContact O-CB 3.22Å; K1687-Q1691 VanDerWaalsContact O-CG 3.24Å; K1687-Q1691 WeakPolarHBondContact O-CG 3.49Å; K1687-Q1691 PolarHBondContact O-N 3.07Å |
| 1688 | E | 34.5 | Very low | 33.4 | Very low | 115 Ų | 115 | 94.6 Ų | 94.6 | 54% | 0.537 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 169.1 | -78.6 | -168.4 | 140.4 | 0 | 0 | 111.6 | D1684 I1690 Q1691 Q1692 | D1684-E1688 WeakPolarHBondContact O-CB 3.42Å; D1684-E1688 WeakPolarHBondContact O-CG 3.4Å; D1684-E1688 PolarHBondContact O-N 2.7Å; E1688-I1690 VanDerWaalsContact C-N 3.35Å; E1688-I1690 PolarHBondContact O-N 3.04Å; E1688-Q1691 CarbonylContact O-C 3.59Å; E1688-Q1691 PolarHBondContact O-N 2.82Å; E1688-Q1692 VanDerWaalsContact O-CB 3.3Å; E1688-Q1692 WeakPolarHBondContact O-CB 3.08Å; E1688-Q1692 WeakPolarHBondContact O-CG 3.29Å; E1688-Q1692 PolarHBondContact O-N 3.12Å |
| 1689 | F | 33.8 | Very low | 33.9 | Very low | 115 Ų | 115 | 87.9 Ų | 87.9 | 50% | 0.504 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 177.2 | -171.9 | -102.8 | 0 | 0 | 0 | 111.9 | S1685 T1686 Q1692 L1693 | S1685-F1689 VanDerWaalsContact O-CB 3.28Å; S1685-F1689 WeakPolarHBondContact O-CB 3.32Å; S1685-F1689 PolarHBondContact O-N 3.04Å; T1686-F1689 PolarHBondContact O-N 2.91Å; F1689-Q1692 PolarHBondContact O-N 3.08Å; F1689-L1693 HydrophobicContact CD1-CD1 3.73Å; F1689-L1693 HydrophobicContact CE1-CD1 3.51Å; F1689-L1693 HydrophobicContact CZ-CD1 4.18Å; F1689-L1693 WeakPolarHBondContact O-CB 3.45Å; F1689-L1693 PolarHBondContact O-N 2.96Å |
| 1690 | I | 35.4 | Very low | 34.6 | Very low | 28 Ų | 28 | 82.3 Ų | 82.3 | 14% | 0.144 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -72.7 | -37.8 | 175.7 | -59.6 | 159.1 | 0 | 0 | 0 | 110.8 | T1686 E1688 Q1692 L1693 I1694 E1776 L1780 | T1686-I1690 WeakPolarHBondContact O-CD1 3.27Å; T1686-I1690 VanDerWaalsContact O-CG1 3.25Å; T1686-I1690 WeakPolarHBondContact O-CG1 3.49Å; T1686-I1690 PolarHBondContact O-N 3.05Å; E1688-I1690 VanDerWaalsContact C-N 3.35Å; E1688-I1690 PolarHBondContact O-N 3.04Å; I1690-Q1692 VanDerWaalsContact C-N 3.29Å; I1690-Q1692 PolarHBondContact O-N 2.8Å; I1690-L1693 PolarHBondContact O-N 3.34Å; I1690-I1694 HydrophobicContact CG2-CD1 4.13Å; I1690-I1694 WeakPolarHBondContact O-CG1 3.18Å; I1690-I1694 PolarHBondContact O-N 2.86Å; I1690-E1776 HydrophobicContact CD1-CB 4.07Å; I1690-E1776 HydrophobicContact CD1-CG 4.31Å; I1690-L1780 HydrophobicContact CG2-CD1 3.51Å; I1690-L1780 HydrophobicContact CG2-CD2 4.01Å; I1690-L1780 HydrophobicContact CG2-CG 4.44Å |
| 1691 | Q | 36.4 | Very low | 35.2 | Very low | 98 Ų | 98 | 80.3 Ų | 80.3 | 46% | 0.458 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.3 | -27.4 | 172.4 | -75 | -175.9 | -103.7 | 0 | 0 | 113.1 | K1687 E1688 I1694 L1780 | K1687-Q1691 VanDerWaalsContact O-CB 3.28Å; K1687-Q1691 WeakPolarHBondContact O-CB 3.22Å; K1687-Q1691 VanDerWaalsContact O-CG 3.24Å; K1687-Q1691 WeakPolarHBondContact O-CG 3.49Å; K1687-Q1691 PolarHBondContact O-N 3.07Å; E1688-Q1691 CarbonylContact O-C 3.59Å; E1688-Q1691 PolarHBondContact O-N 2.82Å; Q1691-I1694 CarbonylContact O-C 3.54Å; Q1691-L1780 HydrophobicContact CB-CD2 4.15Å; Q1691-L1780 HydrophobicContact CG-CD2 3.51Å |
| 1692 | Q | 40.9 | Very low | 35.8 | Very low | 128 Ų | 128 | 74.3 Ų | 74.3 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -78.8 | -33.5 | 172.2 | -73 | 168.5 | 18.9 | 0 | 0 | 112.1 | E1688 F1689 I1690 I1694 S1695 | E1688-Q1692 VanDerWaalsContact O-CB 3.3Å; E1688-Q1692 WeakPolarHBondContact O-CB 3.08Å; E1688-Q1692 WeakPolarHBondContact O-CG 3.29Å; E1688-Q1692 PolarHBondContact O-N 3.12Å; F1689-Q1692 PolarHBondContact O-N 3.08Å; I1690-Q1692 VanDerWaalsContact C-N 3.29Å; I1690-Q1692 PolarHBondContact O-N 2.8Å; Q1692-I1694 VanDerWaalsContact C-N 3.31Å; Q1692-S1695 WeakPolarHBondContact O-CB 3.37Å; Q1692-S1695 PolarHBondContact O-OG 3.18Å |
| 1693 | L | 36.7 | Very low | 36.2 | Very low | 94 Ų | 94 | 72.3 Ų | 72.3 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.3 | -23.8 | 171.2 | -91 | 158.2 | 0 | 0 | 0 | 113.5 | F1689 I1690 | F1689-L1693 HydrophobicContact CD1-CD1 3.73Å; F1689-L1693 HydrophobicContact CE1-CD1 3.51Å; F1689-L1693 HydrophobicContact CZ-CD1 4.18Å; F1689-L1693 WeakPolarHBondContact O-CB 3.45Å; F1689-L1693 PolarHBondContact O-N 2.96Å; I1690-L1693 PolarHBondContact O-N 3.34Å |
| 1694 | I | 34.6 | Very low | 36.7 | Very low | 29 Ų | 29 | 68.7 Ų | 68.7 | 15% | 0.149 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 50.2 | 176.6 | -52.5 | -173.9 | 0 | 0 | 0 | 109.3 | I1690 Q1691 Q1692 T1698 L1777 L1780 | I1690-I1694 HydrophobicContact CG2-CD1 4.13Å; I1690-I1694 WeakPolarHBondContact O-CG1 3.18Å; I1690-I1694 PolarHBondContact O-N 2.86Å; Q1691-I1694 CarbonylContact O-C 3.54Å; Q1692-I1694 VanDerWaalsContact C-N 3.31Å; I1694-T1698 WeakPolarHBondContact CA-OG1 3.29Å; I1694-T1698 VanDerWaalsContact CG2-OG1 3.26Å; I1694-T1698 WeakPolarHBondContact CG2-OG1 3.39Å; I1694-L1777 HydrophobicContact CD1-CD2 3.55Å; I1694-L1777 HydrophobicContact CG1-CD2 4.4Å; I1694-L1780 HydrophobicContact CB-CD2 3.92Å; I1694-L1780 HydrophobicContact CD1-CB 3.79Å; I1694-L1780 HydrophobicContact CD1-CD1 4Å; I1694-L1780 HydrophobicContact CD1-CD2 3.89Å; I1694-L1780 HydrophobicContact CD1-CG 4.08Å; I1694-L1780 HydrophobicContact CG1-CD2 4.21Å; I1694-L1780 HydrophobicContact CG2-CB 4.17Å; I1694-L1780 HydrophobicContact CG2-CD2 4.45Å |
| 1695 | S | 37.1 | Very low | 37.1 | Very low | 58 Ų | 58 | 67.1 Ų | 67.1 | 41% | 0.406 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -81.8 | 177.2 | 170.5 | 41.4 | 0 | 0 | 0 | 0 | 111.5 | Q1692 E1697 T1698 | Q1692-S1695 WeakPolarHBondContact O-CB 3.37Å; Q1692-S1695 PolarHBondContact O-OG 3.18Å; S1695-E1697 PolarHBondContact O-N 3.29Å; S1695-T1698 PolarHBondContact O-N 3.4Å; S1695-T1698 PolarHBondContact O-OG1 3.44Å |
| 1696 | D | 39.8 | Very low | 37.4 | Very low | 65 Ų | 65 | 66.5 Ų | 66.5 | 35% | 0.348 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -51.8 | -26.4 | -163.6 | -69.8 | -85.4 | 0 | 0 | 0 | 115.9 | N1338 T1698 H1699 L1700 | N1338-D1696 PolarHBondContact ND2-OD1 2.74Å; D1696-T1698 VanDerWaalsContact C-N 3.34Å; D1696-T1698 PolarHBondContact O-N 2.98Å; D1696-H1699 WeakPolarHBondContact O-CA 3.42Å; D1696-H1699 VanDerWaalsContact O-CB 3.25Å; D1696-H1699 WeakPolarHBondContact O-CB 3.24Å; D1696-H1699 PolarHBondContact O-N 3.2Å; D1696-L1700 PolarHBondContact O-N 3.15Å |
| 1697 | E | 38.7 | Very low | 37.7 | Very low | 53 Ų | 53 | 67.3 Ų | 67.3 | 25% | 0.248 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.3 | -45.8 | 172 | -64.7 | -172.2 | -168.9 | 0 | 0 | 112.5 | H1334 T1628 S1695 H1699 L1700 F1701 | H1334-E1697 WeakPolarHBondContact CA-OE1 3.49Å; H1334-E1697 HydrophobicContact CB-CG 4Å; H1334-E1697 WeakPolarHBondContact CB-OE1 3.42Å; H1334-E1697 PolarHBondContact N-OE1 3.17Å; T1628-E1697 VanDerWaalsContact CG2-OE2 3.29Å; T1628-E1697 WeakPolarHBondContact CG2-OE2 3.41Å; S1695-E1697 PolarHBondContact O-N 3.29Å; E1697-H1699 PolarHBondContact O-N 2.86Å; E1697-L1700 PolarHBondContact O-N 3.34Å; E1697-F1701 WeakPolarHBondContact O-CB 3.46Å; E1697-F1701 PolarHBondContact O-N 2.87Å |
| 1698 | T | 41.2 | Very low | 38.1 | Very low | 39 Ų | 39 | 66.3 Ų | 66.3 | 24% | 0.239 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.8 | -26.9 | 176.9 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | I1694 S1695 D1696 F1701 I1702 | I1694-T1698 WeakPolarHBondContact CA-OG1 3.29Å; I1694-T1698 VanDerWaalsContact CG2-OG1 3.26Å; I1694-T1698 WeakPolarHBondContact CG2-OG1 3.39Å; S1695-T1698 PolarHBondContact O-N 3.4Å; S1695-T1698 PolarHBondContact O-OG1 3.44Å; D1696-T1698 VanDerWaalsContact C-N 3.34Å; D1696-T1698 PolarHBondContact O-N 2.98Å; T1698-F1701 PolarHBondContact O-N 3.12Å; T1698-I1702 WeakPolarHBondContact O-CG1 3.29Å; T1698-I1702 PolarHBondContact O-N 3.3Å |
| 1699 | H | 38.5 | Very low | 38.1 | Very low | 76 Ų | 76 | 64.5 Ų | 64.5 | 35% | 0.352 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.6 | -47.6 | 173.5 | -123.4 | -62.5 | 0 | 0 | 0 | 110.6 | D1696 E1697 T1703 W1784 | D1696-H1699 WeakPolarHBondContact O-CA 3.42Å; D1696-H1699 VanDerWaalsContact O-CB 3.25Å; D1696-H1699 WeakPolarHBondContact O-CB 3.24Å; D1696-H1699 PolarHBondContact O-N 3.2Å; E1697-H1699 PolarHBondContact O-N 2.86Å; H1699-T1703 VanDerWaalsContact O-CG2 3.26Å; H1699-T1703 WeakPolarHBondContact O-CG2 3.07Å; H1699-T1703 PolarHBondContact O-N 2.83Å; H1699-T1703 VanDerWaalsContact O-N 3.08Å; H1699-T1703 PolarHBondContact O-OG1 3.43Å; H1699-W1784 HydrophobicContact CB-CH2 4.36Å; H1699-W1784 HydrophobicContact CB-CZ2 4.16Å; H1699-W1784 AromaticContact CD2-CE2 3.94Å; H1699-W1784 AromaticContact CD2-CZ2 3.96Å; H1699-W1784 AromaticContact CD2-NE1 3.97Å; H1699-W1784 AromaticContact CE1-CD2 3.37Å; H1699-W1784 AromaticContact CE1-CE2 3.3Å; H1699-W1784 AromaticContact CE1-CE3 3.57Å; H1699-W1784 AromaticContact CE1-CH2 3.69Å; H1699-W1784 AromaticContact CE1-CZ2 3.53Å; H1699-W1784 AromaticContact CE1-CZ3 3.71Å; H1699-W1784 AromaticContact CE1-NE1 3.79Å; H1699-W1784 AromaticContact CG-CE2 3.97Å; H1699-W1784 AromaticContact CG-CH2 3.86Å; H1699-W1784 AromaticContact CG-CZ2 3.56Å; H1699-W1784 AromaticContact ND1-CD2 3.94Å; H1699-W1784 AromaticContact ND1-CE2 3.59Å; H1699-W1784 AromaticContact ND1-CE3 3.91Å; H1699-W1784 AromaticContact ND1-CH2 3.21Å; H1699-W1784 WeakPolarHBondContact ND1-CH2 3.44Å; H1699-W1784 AromaticContact ND1-CZ2 3.27Å; H1699-W1784 VanDerWaalsContact ND1-CZ2 3.27Å; H1699-W1784 WeakPolarHBondContact ND1-CZ2 3.4Å; H1699-W1784 AromaticContact ND1-CZ3 3.54Å; H1699-W1784 AromaticContact NE2-CD1 3.97Å; H1699-W1784 AromaticContact NE2-CD2 3.87Å; H1699-W1784 AromaticContact NE2-CE2 3.53Å; H1699-W1784 AromaticContact NE2-CZ2 3.95Å; H1699-W1784 AromaticContact NE2-NE1 3.54Å; H1699-W1784 WeakPolarHBondContact O-CH2 3.49Å |
| 1700 | L | 40.8 | Very low | 38.4 | Very low | 57 Ų | 57 | 61.6 Ų | 61.6 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 174.3 | -159.5 | 72.2 | 0 | 0 | 0 | 112.2 | P1630 D1696 E1697 T1703 N1704 | P1630-L1700 HydrophobicContact CB-CD2 4.41Å; D1696-L1700 PolarHBondContact O-N 3.15Å; E1697-L1700 PolarHBondContact O-N 3.34Å; L1700-T1703 WeakPolarHBondContact CA-OG1 3.47Å; L1700-T1703 PolarHBondContact O-N 3.27Å; L1700-T1703 PolarHBondContact O-OG1 2.99Å; L1700-N1704 WeakPolarHBondContact O-CB 3.39Å; L1700-N1704 PolarHBondContact O-N 2.83Å; L1700-N1704 PolarHBondContact O-OD1 3.21Å; L1700-N1704 VanDerWaalsContact O-OD1 3.14Å |
| 1701 | F | 38.7 | Very low | 38.7 | Very low | 31 Ų | 31 | 64.8 Ų | 64.8 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 178.2 | -169.2 | -110.2 | 0 | 0 | 0 | 112.1 | L1627 I1632 L1641 E1697 T1698 N1704 F1705 | L1627-F1701 HydrophobicContact CD2-CD2 4.18Å; L1627-F1701 HydrophobicContact CD2-CE1 4.37Å; L1627-F1701 HydrophobicContact CD2-CE2 3.26Å; L1627-F1701 HydrophobicContact CD2-CZ 3.36Å; L1627-F1701 HydrophobicContact CG-CE2 4.45Å; L1627-F1701 WeakPolarHBondContact O-CD2 3.19Å; I1632-F1701 HydrophobicContact CD1-CD2 3.77Å; I1632-F1701 HydrophobicContact CD1-CE2 3.58Å; L1641-F1701 HydrophobicContact CD1-CE1 4.44Å; E1697-F1701 WeakPolarHBondContact O-CB 3.46Å; E1697-F1701 PolarHBondContact O-N 2.87Å; T1698-F1701 PolarHBondContact O-N 3.12Å; F1701-N1704 PolarHBondContact O-N 3.12Å; F1701-F1705 HydrophobicContact CD1-CD2 4.13Å; F1701-F1705 HydrophobicContact CD1-CE2 4.21Å; F1701-F1705 AromaticContact CE1-CD2 3.9Å; F1701-F1705 HydrophobicContact CE1-CD2 3.9Å; F1701-F1705 AromaticContact CE1-CE2 3.51Å; F1701-F1705 HydrophobicContact CE1-CE2 3.51Å; F1701-F1705 HydrophobicContact CE1-CZ 4.42Å; F1701-F1705 HydrophobicContact CE2-CD2 4.48Å; F1701-F1705 HydrophobicContact CE2-CE2 4.08Å; F1701-F1705 HydrophobicContact CZ-CD2 4.1Å; F1701-F1705 AromaticContact CZ-CE2 3.45Å; F1701-F1705 HydrophobicContact CZ-CE2 3.45Å; F1701-F1705 VanDerWaalsContact CZ-CE2 3.45Å; F1701-F1705 HydrophobicContact CZ-CZ 4.41Å; F1701-F1705 PolarHBondContact O-N 3.2Å |
| 1702 | I | 38.6 | Very low | 38.7 | Very low | 32 Ų | 32 | 65 Ų | 65 | 16% | 0.164 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -76.8 | -29.9 | -179.3 | -68 | 162.9 | 0 | 0 | 0 | 111.8 | T1698 N1704 L1781 W1784 I1795 | T1698-I1702 WeakPolarHBondContact O-CG1 3.29Å; T1698-I1702 PolarHBondContact O-N 3.3Å; I1702-N1704 VanDerWaalsContact C-N 3.27Å; I1702-N1704 PolarHBondContact O-N 3.04Å; I1702-L1781 HydrophobicContact CD1-CD2 3.53Å; I1702-W1784 HydrophobicContact CB-CH2 3.52Å; I1702-W1784 HydrophobicContact CB-CZ2 3.98Å; I1702-W1784 HydrophobicContact CB-CZ3 4.33Å; I1702-W1784 HydrophobicContact CD1-CH2 4.42Å; I1702-W1784 HydrophobicContact CD1-CZ2 3.99Å; I1702-W1784 HydrophobicContact CG2-CH2 3.57Å; I1702-W1784 HydrophobicContact CG2-CZ2 4.16Å; I1702-W1784 HydrophobicContact CG2-CZ3 3.91Å; I1702-I1795 HydrophobicContact CG2-CG2 4.38Å |
| 1703 | T | 37.5 | Very low | 38.6 | Very low | 37 Ų | 37 | 62.5 Ų | 62.5 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 169.2 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | H1699 L1700 S1706 W1784 Y1792 | H1699-T1703 VanDerWaalsContact O-CG2 3.26Å; H1699-T1703 WeakPolarHBondContact O-CG2 3.07Å; H1699-T1703 PolarHBondContact O-N 2.83Å; H1699-T1703 VanDerWaalsContact O-N 3.08Å; H1699-T1703 PolarHBondContact O-OG1 3.43Å; L1700-T1703 WeakPolarHBondContact CA-OG1 3.47Å; L1700-T1703 PolarHBondContact O-N 3.27Å; L1700-T1703 PolarHBondContact O-OG1 2.99Å; T1703-S1706 WeakPolarHBondContact O-CB 3.41Å; T1703-S1706 PolarHBondContact O-N 3.03Å; T1703-S1706 PolarHBondContact O-OG 3.38Å; T1703-W1784 HydrophobicContact CG2-CZ3 4.36Å; T1703-Y1792 WeakPolarHBondContact CA-OH 3.42Å; T1703-Y1792 VanDerWaalsContact CB-OH 3.31Å; T1703-Y1792 WeakPolarHBondContact CB-OH 3.43Å; T1703-Y1792 HydrophobicContact CG2-CE1 4.36Å; T1703-Y1792 WeakPolarHBondContact CG2-OH 3.42Å |
| 1704 | N | 38.7 | Very low | 38.8 | Very low | 40 Ų | 40 | 61.1 Ų | 61.1 | 21% | 0.214 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -84.8 | -24.8 | -175.9 | -60.1 | 7.9 | 0 | 0 | 0 | 112.1 | P1630 L1700 F1701 I1702 S1706 T1707 Y1708 | P1630-N1704 PolarHBondContact O-ND2 2.82Å; L1700-N1704 WeakPolarHBondContact O-CB 3.39Å; L1700-N1704 PolarHBondContact O-N 2.83Å; L1700-N1704 PolarHBondContact O-OD1 3.21Å; L1700-N1704 VanDerWaalsContact O-OD1 3.14Å; F1701-N1704 PolarHBondContact O-N 3.12Å; I1702-N1704 VanDerWaalsContact C-N 3.27Å; I1702-N1704 PolarHBondContact O-N 3.04Å; N1704-S1706 PolarHBondContact O-N 3.06Å; N1704-T1707 PolarHBondContact O-N 2.92Å; N1704-T1707 VanDerWaalsContact O-N 3.16Å; N1704-T1707 PolarHBondContact O-OG1 3.14Å; N1704-Y1708 WeakPolarHBondContact O-CD2 3.32Å |
| 1705 | F | 39.4 | Very low | 39.2 | Very low | 61 Ų | 61 | 62.9 Ų | 62.9 | 27% | 0.268 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.3 | -19 | 164.8 | -111.1 | -99.4 | 0 | 0 | 0 | 113.3 | A1637 F1701 L1710 | A1637-F1705 HydrophobicContact CB-CE2 3.8Å; A1637-F1705 HydrophobicContact CB-CZ 4.12Å; F1701-F1705 HydrophobicContact CD1-CD2 4.13Å; F1701-F1705 HydrophobicContact CD1-CE2 4.21Å; F1701-F1705 AromaticContact CE1-CD2 3.9Å; F1701-F1705 HydrophobicContact CE1-CD2 3.9Å; F1701-F1705 AromaticContact CE1-CE2 3.51Å; F1701-F1705 HydrophobicContact CE1-CE2 3.51Å; F1701-F1705 HydrophobicContact CE1-CZ 4.42Å; F1701-F1705 HydrophobicContact CE2-CD2 4.48Å; F1701-F1705 HydrophobicContact CE2-CE2 4.08Å; F1701-F1705 HydrophobicContact CZ-CD2 4.1Å; F1701-F1705 AromaticContact CZ-CE2 3.45Å; F1701-F1705 HydrophobicContact CZ-CE2 3.45Å; F1701-F1705 VanDerWaalsContact CZ-CE2 3.45Å; F1701-F1705 HydrophobicContact CZ-CZ 4.41Å; F1701-F1705 PolarHBondContact O-N 3.2Å; F1705-L1710 HydrophobicContact CE1-CD1 3.78Å |
| 1706 | S | 38 | Very low | 39.4 | Very low | 58 Ų | 58 | 68.9 Ų | 68.9 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -22.5 | 175.6 | 80.5 | 0 | 0 | 0 | 0 | 114 | T1703 N1704 | T1703-S1706 WeakPolarHBondContact O-CB 3.41Å; T1703-S1706 PolarHBondContact O-N 3.03Å; T1703-S1706 PolarHBondContact O-OG 3.38Å; N1704-S1706 PolarHBondContact O-N 3.06Å |
| 1707 | T | 39.6 | Very low | 39.5 | Very low | 91 Ų | 91 | 70.5 Ų | 70.5 | 56% | 0.558 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -14.3 | -171.9 | 49.7 | 0 | 0 | 0 | 0 | 114.4 | N1704 | N1704-T1707 PolarHBondContact O-N 2.92Å; N1704-T1707 VanDerWaalsContact O-N 3.16Å; N1704-T1707 PolarHBondContact O-OG1 3.14Å |
| 1708 | Y | 41.5 | Very low | 39.4 | Very low | 87 Ų | 87 | 70.1 Ų | 70.1 | 34% | 0.341 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -122.8 | 93 | -178.3 | -58 | -74.3 | 0 | 0 | 0 | 110.5 | N1704 L1710 | N1704-Y1708 WeakPolarHBondContact O-CD2 3.32Å; Y1708-L1710 PolarHBondContact O-N 2.65Å |
| 1709 | G | 35.1 | Very low | 39.3 | Very low | 77 Ų | 77 | 70.4 Ų | 70.4 | 79% | 0.794 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 121.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1710 | L | 39.8 | Very low | 39.5 | Very low | 54 Ų | 54 | 69.6 Ų | 69.6 | 28% | 0.283 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 125.4 | 168.1 | -99 | 164.2 | 0 | 0 | 0 | 110.2 | F1638 F1705 Y1708 I1712 L1714 V1715 | F1638-L1710 HydrophobicContact CB-CD2 4.47Å; F1638-L1710 HydrophobicContact CD2-CD2 4.34Å; F1705-L1710 HydrophobicContact CE1-CD1 3.78Å; Y1708-L1710 PolarHBondContact O-N 2.65Å; L1710-I1712 PolarHBondContact O-N 2.98Å; L1710-L1714 HydrophobicContact CD2-CD2 4.36Å; L1710-V1715 HydrophobicContact CB-CG2 4.1Å; L1710-V1715 HydrophobicContact CD1-CG2 4.19Å; L1710-V1715 HydrophobicContact CD2-CG2 4.11Å; L1710-V1715 HydrophobicContact CG-CG2 4.37Å |
| 1711 | D | 41.4 | Very low | 39.5 | Very low | 96 Ų | 96 | 72.9 Ų | 72.9 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 125.3 | 170.9 | -173.9 | -11.5 | 0 | 0 | 0 | 109.7 | S1713 L1714 V1715 | D1711-S1713 PolarHBondContact O-N 3.04Å; D1711-S1713 VanDerWaalsContact O-N 3.13Å; D1711-S1713 WeakPolarHBondContact OD1-CB 3.29Å; D1711-S1713 PolarHBondContact OD1-N 2.87Å; D1711-S1713 PolarHBondContact OD1-OG 3.34Å; D1711-S1713 PolarHBondContact OD2-OG 3.27Å; D1711-L1714 HydrophobicContact CB-CB 4.48Å; D1711-L1714 WeakPolarHBondContact O-CB 3.35Å; D1711-L1714 PolarHBondContact O-N 3.34Å; D1711-V1715 PolarHBondContact O-N 2.85Å |
| 1712 | I | 36.6 | Very low | 39.5 | Very low | 102 Ų | 102 | 75 Ų | 75 | 52% | 0.523 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -53.4 | -31.8 | 175.2 | -65.6 | 171 | 0 | 0 | 0 | 110.6 | L1710 R1716 | L1710-I1712 PolarHBondContact O-N 2.98Å; I1712-R1716 HydrophobicContact CG2-CG 4.35Å; I1712-R1716 VanDerWaalsContact O-CB 3.27Å; I1712-R1716 WeakPolarHBondContact O-CB 3.34Å; I1712-R1716 VanDerWaalsContact O-CG 3.32Å; I1712-R1716 WeakPolarHBondContact O-CG 3.49Å; I1712-R1716 PolarHBondContact O-N 3.13Å |
| 1713 | S | 37.8 | Very low | 39.4 | Very low | 75 Ų | 75 | 78.2 Ų | 78.2 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.3 | -44.6 | 0 | 0 | 0 | 0 | 111.7 | D1711 L1717 | D1711-S1713 PolarHBondContact O-N 3.04Å; D1711-S1713 VanDerWaalsContact O-N 3.13Å; D1711-S1713 WeakPolarHBondContact OD1-CB 3.29Å; D1711-S1713 PolarHBondContact OD1-N 2.87Å; D1711-S1713 PolarHBondContact OD1-OG 3.34Å; D1711-S1713 PolarHBondContact OD2-OG 3.27Å; S1713-L1717 WeakPolarHBondContact O-CB 3.39Å; S1713-L1717 PolarHBondContact O-N 3Å |
| 1714 | L | 42 | Very low | 39.3 | Very low | 66 Ų | 66 | 80.1 Ų | 80.1 | 35% | 0.346 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.5 | -46.7 | -178.7 | -144.2 | 85.9 | 0 | 0 | 0 | 110.9 | L1710 D1711 R1716 L1717 L1718 | L1710-L1714 HydrophobicContact CD2-CD2 4.36Å; D1711-L1714 HydrophobicContact CB-CB 4.48Å; D1711-L1714 WeakPolarHBondContact O-CB 3.35Å; D1711-L1714 PolarHBondContact O-N 3.34Å; L1714-R1716 PolarHBondContact O-N 3.36Å; L1714-L1717 PolarHBondContact O-N 3.07Å; L1714-L1718 HydrophobicContact CD2-CD1 4.29Å; L1714-L1718 HydrophobicContact CG-CD1 4.01Å; L1714-L1718 WeakPolarHBondContact O-CD1 3.12Å; L1714-L1718 PolarHBondContact O-N 3.15Å |
| 1715 | V | 43.1 | Very low | 38.8 | Very low | 66 Ų | 66 | 83 Ų | 83 | 40% | 0.4 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 179.1 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | L1710 D1711 A1719 | L1710-V1715 HydrophobicContact CB-CG2 4.1Å; L1710-V1715 HydrophobicContact CD1-CG2 4.19Å; L1710-V1715 HydrophobicContact CD2-CG2 4.11Å; L1710-V1715 HydrophobicContact CG-CG2 4.37Å; D1711-V1715 PolarHBondContact O-N 2.85Å; V1715-A1719 WeakPolarHBondContact O-CB 3.43Å; V1715-A1719 PolarHBondContact O-N 2.92Å |
| 1716 | R | 39.8 | Very low | 38.1 | Very low | 184 Ų | 184 | 86 Ų | 86 | 69% | 0.694 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.7 | -41.4 | 173.2 | -78.5 | -180 | 172 | 159.8 | -2.1 | 112.7 | I1712 L1714 S1720 | I1712-R1716 HydrophobicContact CG2-CG 4.35Å; I1712-R1716 VanDerWaalsContact O-CB 3.27Å; I1712-R1716 WeakPolarHBondContact O-CB 3.34Å; I1712-R1716 VanDerWaalsContact O-CG 3.32Å; I1712-R1716 WeakPolarHBondContact O-CG 3.49Å; I1712-R1716 PolarHBondContact O-N 3.13Å; L1714-R1716 PolarHBondContact O-N 3.36Å; R1716-S1720 VanDerWaalsContact O-CB 3.29Å; R1716-S1720 WeakPolarHBondContact O-CB 3.32Å; R1716-S1720 PolarHBondContact O-N 3.42Å; R1716-S1720 PolarHBondContact O-OG 3.13Å |
| 1717 | L | 43.3 | Very low | 37.6 | Very low | 98 Ų | 98 | 88 Ų | 88 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.9 | -51.5 | 178.1 | -171.9 | 73.4 | 0 | 0 | 0 | 109.9 | S1713 L1714 S1720 Q1721 | S1713-L1717 WeakPolarHBondContact O-CB 3.39Å; S1713-L1717 PolarHBondContact O-N 3Å; L1714-L1717 PolarHBondContact O-N 3.07Å; L1717-S1720 PolarHBondContact O-N 3.16Å; L1717-S1720 PolarHBondContact O-OG 3.45Å; L1717-Q1721 WeakPolarHBondContact O-CG 3.44Å; L1717-Q1721 PolarHBondContact O-N 3.01Å |
| 1718 | L | 36.8 | Very low | 37 | Very low | 46 Ų | 46 | 89.9 Ų | 89.9 | 24% | 0.241 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -72.2 | -35.1 | -177.5 | -78 | 139.4 | 0 | 0 | 0 | 113.2 | F1638 L1714 S1720 Q1721 L1722 | F1638-L1718 HydrophobicContact CD1-CD1 4.04Å; F1638-L1718 HydrophobicContact CE1-CB 4.23Å; F1638-L1718 HydrophobicContact CE1-CD1 3.53Å; F1638-L1718 HydrophobicContact CE1-CD2 3.93Å; F1638-L1718 HydrophobicContact CE1-CG 4.07Å; F1638-L1718 HydrophobicContact CE2-CD1 4.42Å; F1638-L1718 HydrophobicContact CZ-CB 3.75Å; F1638-L1718 HydrophobicContact CZ-CD1 3.74Å; F1638-L1718 HydrophobicContact CZ-CD2 4.28Å; F1638-L1718 HydrophobicContact CZ-CG 4.1Å; L1714-L1718 HydrophobicContact CD2-CD1 4.29Å; L1714-L1718 HydrophobicContact CG-CD1 4.01Å; L1714-L1718 WeakPolarHBondContact O-CD1 3.12Å; L1714-L1718 PolarHBondContact O-N 3.15Å; L1718-S1720 VanDerWaalsContact C-N 3.33Å; L1718-S1720 PolarHBondContact O-N 3.13Å; L1718-Q1721 PolarHBondContact O-N 3.14Å; L1718-L1722 WeakPolarHBondContact O-CB 3.22Å; L1718-L1722 VanDerWaalsContact O-CG 3.29Å; L1718-L1722 WeakPolarHBondContact O-CG 3.48Å; L1718-L1722 PolarHBondContact O-N 3.01Å |
| 1719 | A | 39.4 | Very low | 36.3 | Very low | 45 Ų | 45 | 91 Ų | 91 | 37% | 0.372 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1715 L1723 | V1715-A1719 WeakPolarHBondContact O-CB 3.43Å; V1715-A1719 PolarHBondContact O-N 2.92Å; A1719-L1723 VanDerWaalsContact O-CB 3.24Å; A1719-L1723 WeakPolarHBondContact O-CB 3.49Å; A1719-L1723 WeakPolarHBondContact O-CD1 3.03Å; A1719-L1723 VanDerWaalsContact O-CG 3.25Å; A1719-L1723 WeakPolarHBondContact O-CG 3.42Å; A1719-L1723 PolarHBondContact O-N 2.85Å |
| 1720 | S | 42.7 | Very low | 36.2 | Very low | 59 Ų | 59 | 93.5 Ų | 93.5 | 41% | 0.413 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67 | -37.2 | 176.6 | 76.6 | 0 | 0 | 0 | 0 | 112.7 | R1716 L1717 L1718 L1723 S1724 | R1716-S1720 VanDerWaalsContact O-CB 3.29Å; R1716-S1720 WeakPolarHBondContact O-CB 3.32Å; R1716-S1720 PolarHBondContact O-N 3.42Å; R1716-S1720 PolarHBondContact O-OG 3.13Å; L1717-S1720 PolarHBondContact O-N 3.16Å; L1717-S1720 PolarHBondContact O-OG 3.45Å; L1718-S1720 VanDerWaalsContact C-N 3.33Å; L1718-S1720 PolarHBondContact O-N 3.13Å; S1720-L1723 PolarHBondContact O-N 3.26Å; S1720-S1724 WeakPolarHBondContact O-CB 3.36Å; S1720-S1724 PolarHBondContact O-N 3.32Å; S1720-S1724 PolarHBondContact O-OG 2.68Å |
| 1721 | Q | 40.5 | Very low | 35.4 | Very low | 125 Ų | 125 | 96 Ų | 96 | 58% | 0.584 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.3 | -45.3 | 176.5 | -67.2 | -89.4 | -48.6 | 0 | 0 | 111.1 | L1717 L1718 L1723 S1724 | L1717-Q1721 WeakPolarHBondContact O-CG 3.44Å; L1717-Q1721 PolarHBondContact O-N 3.01Å; L1718-Q1721 PolarHBondContact O-N 3.14Å; Q1721-L1723 VanDerWaalsContact C-N 3.31Å; Q1721-L1723 PolarHBondContact O-N 3.3Å; Q1721-S1724 PolarHBondContact O-OG 2.81Å |
| 1722 | L | 37.7 | Very low | 34.6 | Very low | 77 Ų | 77 | 96.4 Ų | 96.4 | 40% | 0.403 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.7 | -22.7 | 178.4 | -68.5 | 166.2 | 0 | 0 | 0 | 113.8 | L1642 L1718 | L1642-L1722 HydrophobicContact CD1-CD1 3.94Å; L1718-L1722 WeakPolarHBondContact O-CB 3.22Å; L1718-L1722 VanDerWaalsContact O-CG 3.29Å; L1718-L1722 WeakPolarHBondContact O-CG 3.48Å; L1718-L1722 PolarHBondContact O-N 3.01Å |
| 1723 | L | 37.7 | Very low | 34.1 | Very low | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -104.6 | -0.4 | -179.6 | -64.9 | 169.4 | 0 | 0 | 0 | 114.5 | A1719 S1720 Q1721 T1767 | A1719-L1723 VanDerWaalsContact O-CB 3.24Å; A1719-L1723 WeakPolarHBondContact O-CB 3.49Å; A1719-L1723 WeakPolarHBondContact O-CD1 3.03Å; A1719-L1723 VanDerWaalsContact O-CG 3.25Å; A1719-L1723 WeakPolarHBondContact O-CG 3.42Å; A1719-L1723 PolarHBondContact O-N 2.85Å; S1720-L1723 PolarHBondContact O-N 3.26Å; Q1721-L1723 VanDerWaalsContact C-N 3.31Å; Q1721-L1723 PolarHBondContact O-N 3.3Å; L1723-T1767 HydrophobicContact CD2-CG2 3.68Å |
| 1724 | S | 33.6 | Very low | 33.4 | Very low | 76 Ų | 76 | 100.3 Ų | 100.3 | 53% | 0.531 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -100 | -13.9 | -177.5 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | S1720 Q1721 T1726 | S1720-S1724 WeakPolarHBondContact O-CB 3.36Å; S1720-S1724 PolarHBondContact O-N 3.32Å; S1720-S1724 PolarHBondContact O-OG 2.68Å; Q1721-S1724 PolarHBondContact O-OG 2.81Å; S1724-T1726 PolarHBondContact O-N 3.39Å |
| 1725 | S | 28.8 | Very low | 32.5 | Very low | 101 Ų | 101 | 104.7 Ų | 104.7 | 71% | 0.706 | 62% | 0.624 | S | S | * | * | trans | -81.2 | 47.2 | -174.5 | 67.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1726 | T | 25.6 | Very low | 31.5 | Very low | 124 Ų | 124 | 106.3 Ų | 106.3 | 76% | 0.761 | 64% | 0.639 | S | S | * | * | trans | -131.8 | 44.4 | 179.2 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | S1724 | S1724-T1726 PolarHBondContact O-N 3.39Š| ||
| 1727 | S | 26.1 | Very low | 30.9 | Very low | 101 Ų | 101 | 102.4 Ų | 102.4 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -160.4 | 138.8 | 165.3 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1728 | S | 28.6 | Very low | 30.2 | Very low | 130 Ų | 130 | 106.2 Ų | 106.2 | 91% | 0.909 | 65% | 0.654 | S | S | * | * | trans | 73.5 | 162.4 | 174 | 78.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1729 | S | 26.1 | Very low | 29.7 | Very low | 109 Ų | 109 | 108.4 Ų | 108.4 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | trans | -128.8 | 158.2 | -148.9 | 52.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 1730 | P | 32.6 | Very low | 29 | Very low | 131 Ų | 131 | 111.6 Ų | 111.6 | 85% | 0.851 | 70% | 0.699 | S | S | * | * | trans | -91.7 | 154.8 | -167.9 | 36.2 | -37 | 0 | 0 | 0 | 115.3 | ||||
| 1731 | S | 23.9 | Very low | 28.2 | Very low | 107 Ų | 107 | 116.9 Ų | 116.9 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -160.4 | 138.3 | 165.1 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1732 | S | 23.6 | Very low | 27.5 | Very low | 104 Ų | 104 | 115.1 Ų | 115.1 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 49.3 | 108.7 | 153.7 | 61.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1733 | M | 26.6 | Very low | 27.1 | Very low | 176 Ų | 176 | 117 Ų | 117 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | 173.4 | 117 | 106.4 | -88.2 | -169 | 81.3 | 0 | 0 | 108.4 | |||||
| 1734 | S | 23 | Very low | 26.8 | Very low | 82 Ų | 82 | 117 Ų | 117 | 57% | 0.573 | 75% | 0.754 | S | S | * | * | cis | 103.6 | 127.3 | 17 | 82.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1735 | L | 22.8 | Very low | 26.3 | Very low | 159 Ų | 159 | 121 Ų | 121 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 72.1 | 142 | -179.6 | -64.9 | 96.2 | 0 | 0 | 0 | 117 | ||||
| 1736 | S | 23.4 | Very low | 26.1 | Very low | 100 Ų | 100 | 121.7 Ų | 121.7 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | cis | 145.1 | 132.1 | -35.4 | 62 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1737 | S | 25.5 | Very low | 26.1 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -165.8 | 138.9 | 149.7 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1738 | H | 29.6 | Very low | 26 | Very low | 177 Ų | 177 | 122 Ų | 122 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | trans | 46.6 | 105.8 | 168.4 | -48.9 | -63.5 | 0 | 0 | 0 | 118.4 | ||||
| 1739 | A | 25.2 | Very low | 25.8 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | cis | 70.9 | 91 | 7.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1740 | S | 24.8 | Very low | 25.7 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | 171.1 | 148 | 143.6 | 45.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1741 | L | 26.2 | Very low | 25.2 | Very low | 170 Ų | 170 | 121.4 Ų | 121.4 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | cis | -118.7 | 163.2 | 1.9 | -73.9 | 87.2 | 0 | 0 | 0 | 112.3 | ||||
| 1742 | A | 27.1 | Very low | 25.1 | Very low | 88 Ų | 88 | 122.4 Ų | 122.4 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -148.1 | -163.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1743 | S | 27.3 | Very low | 25 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 83.5 | 159.5 | 172 | 89.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1744 | P | 31.5 | Very low | 24.8 | Very low | 101 Ų | 101 | 122.2 Ų | 122.2 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | cis | -138 | 157.5 | 17.4 | 41.4 | -23.6 | 0 | 0 | 0 | 119.8 | ||||
| 1745 | L | 24.5 | Very low | 24.7 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 59.7 | 133.7 | 146.5 | -60.4 | 162 | 0 | 0 | 0 | 119.3 | ||||
| 1746 | C | 24 | Very low | 24.8 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | cis | 92.4 | 109.2 | 27 | -64.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1747 | T | 24.8 | Very low | 24.8 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 93% | 0.926 | 78% | 0.775 | S | S | * | * | trans | -151 | 152.8 | 144 | 43.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1748 | G | 25.2 | Very low | 24.6 | Very low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 97.6 | 51.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1749 | S | 24.2 | Very low | 24.3 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -78.5 | 125.6 | 159.3 | -69.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 1750 | I | 23.5 | Very low | 24.3 | Very low | 175 Ų | 175 | 129 Ų | 129 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -166.4 | 141.1 | 156.2 | -91 | 138 | 0 | 0 | 0 | 106.8 | ||||
| 1751 | G | 22.7 | Very low | 24.3 | Very low | 59 Ų | 59 | 127.1 Ų | 127.1 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | cis | 163.5 | 117 | -9.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1752 | C | 21.4 | Very low | 24.4 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | trans | 68.7 | 151 | 157.1 | -61.3 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1753 | S | 22.3 | Very low | 24.5 | Very low | 111 Ų | 111 | 124 Ų | 124 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 72.7 | 141.8 | 165.5 | 81.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1754 | E | 21.4 | Very low | 24.8 | Very low | 164 Ų | 164 | 120.9 Ų | 120.9 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | cis | -160.2 | 154.2 | -18.5 | -125.9 | -171 | -166.4 | 0 | 0 | 112.2 | ||||
| 1755 | N | 21.9 | Very low | 25.3 | Very low | 96 Ų | 96 | 118.6 Ų | 118.6 | 51% | 0.513 | 71% | 0.712 | S | S | . | * | trans | 64.1 | 105.5 | 144.8 | -80.3 | -45.7 | 0 | 0 | 0 | 123 | ||||
| 1756 | K | 23.2 | Very low | 26.1 | Very low | 169 Ų | 169 | 115 Ų | 115 | 74% | 0.735 | 70% | 0.697 | S | S | * | * | 106.6 | 146.6 | 115.4 | -74.2 | 167.7 | -178.4 | 127.4 | 0 | 121.6 | |||||
| 1757 | S | 23.7 | Very low | 27 | Very low | 102 Ų | 102 | 111.5 Ų | 111.5 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | trans | 57.6 | 98.9 | 166.7 | 45.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1758 | E | 22.4 | Very low | 27.9 | Very low | 178 Ų | 178 | 104.8 Ų | 104.8 | 83% | 0.832 | 63% | 0.631 | S | S | * | * | 96.3 | 90.7 | 65.3 | -86.1 | 170.6 | -150.3 | 0 | 0 | 113 | |||||
| 1759 | L | 23 | Very low | 29 | Very low | 116 Ų | 116 | 102.1 Ų | 102.1 | 61% | 0.607 | 60% | 0.597 | S | S | * | * | -164.3 | 135.1 | 106.3 | -127.3 | 68.5 | 0 | 0 | 0 | 110 | S1761 | L1759-S1761 PolarHBondContact O-N 3.26Š| |||
| 1760 | H | 25.3 | Very low | 30.3 | Very low | 194 Ų | 194 | 97.7 Ų | 97.7 | 90% | 0.898 | 56% | 0.564 | S | S | * | * | trans | -73.2 | 122.1 | 175.5 | -77.5 | -90.9 | 0 | 0 | 0 | 110.5 | ||||
| 1761 | S | 24.8 | Very low | 31.7 | Very low | 74 Ų | 74 | 89.8 Ų | 89.8 | 52% | 0.517 | 52% | 0.524 | S | S | . | . | trans | -86.8 | 112 | 153.5 | 39.4 | 0 | 0 | 0 | 0 | 107.7 | L1759 | L1759-S1761 PolarHBondContact O-N 3.26Š| ||
| 1762 | S | 27.7 | Very low | 33.1 | Very low | 98 Ų | 98 | 89.2 Ų | 89.2 | 69% | 0.685 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 142.4 | 157.2 | 46 | 0 | 0 | 0 | 0 | 108.1 | ||
| 1763 | P | 30.3 | Very low | 34.6 | Very low | 95 Ų | 95 | 84.3 Ų | 84.3 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -58 | 147 | 169.9 | 26.8 | -33.9 | 0 | 0 | 0 | 108.9 | S1765 | P1763-S1765 PolarHBondContact O-N 2.86Š|
| 1764 | P | 32.5 | Very low | 36.3 | Very low | 48 Ų | 48 | 81.1 Ų | 81.1 | 31% | 0.312 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 127.8 | 168 | 24.6 | -32.7 | 0 | 0 | 0 | 108.2 | S1768 N1769 | P1764-S1768 VanDerWaalsContact C-OG 3.28Å; P1764-S1768 WeakPolarHBondContact CA-OG 3.43Å; P1764-S1768 WeakPolarHBondContact CB-OG 3.36Å; P1764-N1769 WeakPolarHBondContact CB-OD1 3.39Å; P1764-N1769 WeakPolarHBondContact CG-OD1 3.22Å |
| 1765 | S | 42.6 | Very low | 37.9 | Very low | 54 Ų | 54 | 73.4 Ų | 73.4 | 38% | 0.378 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 154.4 | 176.9 | 62.6 | 0 | 0 | 0 | 0 | 109.7 | P1763 T1767 S1768 N1769 | P1763-S1765 PolarHBondContact O-N 2.86Å; S1765-T1767 WeakPolarHBondContact CB-OG1 3.5Å; S1765-T1767 PolarHBondContact O-N 3.17Å; S1765-T1767 VanDerWaalsContact O-N 3.14Å; S1765-T1767 PolarHBondContact OG-OG1 3.46Å; S1765-S1768 PolarHBondContact N-OG 2.86Å; S1765-S1768 WeakPolarHBondContact O-CA 3.46Å; S1765-S1768 PolarHBondContact O-N 3.15Å; S1765-S1768 PolarHBondContact O-OG 3.11Å; S1765-S1768 PolarHBondContact OG-N 2.86Å; S1765-N1769 PolarHBondContact O-N 3.44Å; S1765-N1769 VanDerWaalsContact O-N 3.14Å |
| 1766 | V | 41.6 | Very low | 39.4 | Very low | 85 Ų | 85 | 74 Ų | 74 | 52% | 0.515 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -53.3 | -37.3 | 174.3 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | L1646 A1649 S1768 N1769 L1770 | L1646-V1766 HydrophobicContact CD2-CG1 4.2Å; A1649-V1766 HydrophobicContact CB-CG1 4.27Å; V1766-S1768 VanDerWaalsContact C-N 3.34Å; V1766-S1768 PolarHBondContact O-N 3.42Å; V1766-N1769 PolarHBondContact O-N 3.06Å; V1766-L1770 WeakPolarHBondContact O-CB 3.47Å; V1766-L1770 PolarHBondContact O-N 2.78Å |
| 1767 | T | 42.2 | Very low | 40.8 | Very low | 40 Ų | 40 | 68.8 Ų | 68.8 | 25% | 0.245 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.5 | -41.7 | 170 | 24.6 | 0 | 0 | 0 | 0 | 113.7 | L1723 S1765 L1770 C1771 | L1723-T1767 HydrophobicContact CD2-CG2 3.68Å; S1765-T1767 WeakPolarHBondContact CB-OG1 3.5Å; S1765-T1767 PolarHBondContact O-N 3.17Å; S1765-T1767 VanDerWaalsContact O-N 3.14Å; S1765-T1767 PolarHBondContact OG-OG1 3.46Å; T1767-L1770 PolarHBondContact O-N 2.81Å; T1767-C1771 WeakPolarHBondContact O-CB 3.31Å; T1767-C1771 PolarHBondContact O-N 3.11Å; T1767-C1771 PolarHBondContact O-SG 2.99Å |
| 1768 | S | 45 | Very low | 42.2 | Very low | 11 Ų | 11 | 64 Ų | 64 | 8% | 0.077 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73 | -41.9 | 180 | 66.6 | 0 | 0 | 0 | 0 | 113 | P1764 S1765 V1766 L1770 C1771 L1772 | P1764-S1768 VanDerWaalsContact C-OG 3.28Å; P1764-S1768 WeakPolarHBondContact CA-OG 3.43Å; P1764-S1768 WeakPolarHBondContact CB-OG 3.36Å; S1765-S1768 PolarHBondContact N-OG 2.86Å; S1765-S1768 WeakPolarHBondContact O-CA 3.46Å; S1765-S1768 PolarHBondContact O-N 3.15Å; S1765-S1768 PolarHBondContact O-OG 3.11Å; S1765-S1768 PolarHBondContact OG-N 2.86Å; V1766-S1768 VanDerWaalsContact C-N 3.34Å; V1766-S1768 PolarHBondContact O-N 3.42Å; S1768-L1770 VanDerWaalsContact C-N 3.29Å; S1768-L1770 PolarHBondContact O-N 3.03Å; S1768-C1771 PolarHBondContact O-N 3.06Å; S1768-L1772 VanDerWaalsContact O-CG 3.26Å; S1768-L1772 WeakPolarHBondContact O-CG 3.21Å; S1768-L1772 PolarHBondContact O-N 3.24Å |
| 1769 | N | 48.1 | Very low | 43.4 | Very low | 24 Ų | 24 | 58.4 Ų | 58.4 | 13% | 0.128 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 171.7 | -70.4 | -6.5 | 0 | 0 | 0 | 111.4 | A1649 D1652 P1764 S1765 V1766 L1772 T1773 | A1649-N1769 HydrophobicContact CB-CB 3.78Å; A1649-N1769 PolarHBondContact O-ND2 3.49Å; D1652-N1769 PolarHBondContact OD1-ND2 3.42Å; P1764-N1769 WeakPolarHBondContact CB-OD1 3.39Å; P1764-N1769 WeakPolarHBondContact CG-OD1 3.22Å; S1765-N1769 PolarHBondContact O-N 3.44Å; S1765-N1769 VanDerWaalsContact O-N 3.14Å; V1766-N1769 PolarHBondContact O-N 3.06Å; N1769-L1772 PolarHBondContact O-N 2.78Å; N1769-T1773 WeakPolarHBondContact O-CG2 3.33Å; N1769-T1773 PolarHBondContact O-N 3Å; N1769-T1773 PolarHBondContact O-OG1 2.72Å |
| 1770 | L | 51.8 | Low | 44.6 | Very low | 30 Ų | 30 | 54.1 Ų | 54.1 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.5 | -30 | 175.9 | -164.9 | 141.7 | 0 | 0 | 0 | 112.4 | L1645 V1766 T1767 S1768 T1773 L1774 | L1645-L1770 HydrophobicContact CB-CD1 3.76Å; L1645-L1770 HydrophobicContact CB-CG 4.06Å; L1645-L1770 HydrophobicContact CD2-CG 4.44Å; V1766-L1770 WeakPolarHBondContact O-CB 3.47Å; V1766-L1770 PolarHBondContact O-N 2.78Å; T1767-L1770 PolarHBondContact O-N 2.81Å; S1768-L1770 VanDerWaalsContact C-N 3.29Å; S1768-L1770 PolarHBondContact O-N 3.03Å; L1770-T1773 WeakPolarHBondContact CA-OG1 3.26Å; L1770-T1773 PolarHBondContact O-OG1 2.86Å; L1770-T1773 VanDerWaalsContact O-OG1 3.14Å; L1770-L1774 HydrophobicContact CD2-CD1 3.93Å; L1770-L1774 WeakPolarHBondContact O-CB 3.27Å; L1770-L1774 WeakPolarHBondContact O-CD1 3.45Å; L1770-L1774 VanDerWaalsContact O-CG 3.26Å; L1770-L1774 WeakPolarHBondContact O-CG 3.48Å; L1770-L1774 PolarHBondContact O-N 3.39Å; L1770-L1774 VanDerWaalsContact O-N 3.11Å |
| 1771 | C | 51.7 | Low | 45.7 | Very low | 9 Ų | 9 | 46.6 Ų | 46.6 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71.5 | -44.7 | 169 | -73.4 | 0 | 0 | 0 | 0 | 112 | T1767 S1768 T1773 L1774 F1775 A1806 I1810 | T1767-C1771 WeakPolarHBondContact O-CB 3.31Å; T1767-C1771 PolarHBondContact O-N 3.11Å; T1767-C1771 PolarHBondContact O-SG 2.99Å; S1768-C1771 PolarHBondContact O-N 3.06Å; C1771-T1773 VanDerWaalsContact C-N 3.32Å; C1771-T1773 PolarHBondContact O-N 3.02Å; C1771-L1774 CarbonylContact O-C 3.4Å; C1771-L1774 WeakPolarHBondContact O-CB 3.44Å; C1771-L1774 PolarHBondContact O-N 2.76Å; C1771-F1775 HydrophobicContact CB-CE2 4.47Å; C1771-F1775 WeakPolarHBondContact O-CD2 3.41Å; C1771-F1775 PolarHBondContact O-N 2.95Å; C1771-A1806 HydrophobicContact CB-CB 4.11Å; C1771-I1810 HydrophobicContact CB-CD1 4.08Å; C1771-I1810 HydrophobicContact CB-CG1 4.16Å |
| 1772 | L | 52.1 | Low | 46.9 | Very low | 47 Ų | 47 | 44.2 Ų | 44.2 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 178.4 | -73.1 | 172.4 | 0 | 0 | 0 | 111.4 | S1768 N1769 F1775 E1776 I1810 P1882 | S1768-L1772 VanDerWaalsContact O-CG 3.26Å; S1768-L1772 WeakPolarHBondContact O-CG 3.21Å; S1768-L1772 PolarHBondContact O-N 3.24Å; N1769-L1772 PolarHBondContact O-N 2.78Å; L1772-F1775 WeakPolarHBondContact O-CB 3.09Å; L1772-F1775 PolarHBondContact O-N 2.99Å; L1772-F1775 VanDerWaalsContact O-N 3.09Å; L1772-E1776 PolarHBondContact O-N 2.99Å; L1772-I1810 HydrophobicContact CD2-CD1 4.08Å; L1772-P1882 HydrophobicContact CD2-CB 3.38Å; L1772-P1882 HydrophobicContact CD2-CG 3.41Å; L1772-P1882 VanDerWaalsContact CD2-CG 3.41Å |
| 1773 | T | 54.1 | Low | 48 | Very low | 25 Ų | 25 | 46.8 Ų | 46.8 | 15% | 0.153 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.9 | -37.7 | 177.5 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | C1648 N1769 L1770 C1771 F1775 E1776 L1777 | C1648-T1773 HydrophobicContact CB-CG2 3.53Å; N1769-T1773 WeakPolarHBondContact O-CG2 3.33Å; N1769-T1773 PolarHBondContact O-N 3Å; N1769-T1773 PolarHBondContact O-OG1 2.72Å; L1770-T1773 WeakPolarHBondContact CA-OG1 3.26Å; L1770-T1773 PolarHBondContact O-OG1 2.86Å; L1770-T1773 VanDerWaalsContact O-OG1 3.14Å; C1771-T1773 VanDerWaalsContact C-N 3.32Å; C1771-T1773 PolarHBondContact O-N 3.02Å; T1773-F1775 PolarHBondContact O-N 3.18Å; T1773-E1776 PolarHBondContact O-N 2.72Å; T1773-L1777 WeakPolarHBondContact O-CG 3.45Å; T1773-L1777 PolarHBondContact O-N 2.85Å |
| 1774 | L | 56.4 | Low | 48.8 | Very low | 44 Ų | 44 | 44.1 Ų | 44.1 | 23% | 0.23 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -34.4 | 166.8 | -81.4 | 168.7 | 0 | 0 | 0 | 112.6 | L1645 L1770 C1771 L1777 I1778 | L1645-L1774 HydrophobicContact CD2-CD2 4.39Å; L1645-L1774 HydrophobicContact CD2-CG 4.26Å; L1770-L1774 HydrophobicContact CD2-CD1 3.93Å; L1770-L1774 WeakPolarHBondContact O-CB 3.27Å; L1770-L1774 WeakPolarHBondContact O-CD1 3.45Å; L1770-L1774 VanDerWaalsContact O-CG 3.26Å; L1770-L1774 WeakPolarHBondContact O-CG 3.48Å; L1770-L1774 PolarHBondContact O-N 3.39Å; L1770-L1774 VanDerWaalsContact O-N 3.11Å; C1771-L1774 CarbonylContact O-C 3.4Å; C1771-L1774 WeakPolarHBondContact O-CB 3.44Å; C1771-L1774 PolarHBondContact O-N 2.76Å; L1774-L1777 PolarHBondContact O-N 2.72Å; L1774-I1778 WeakPolarHBondContact O-CG1 3.49Å |
| 1775 | F | 56.7 | Low | 49 | Very low | 3 Ų | 3 | 44.5 Ų | 44.5 | 1% | 0.013 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.7 | -33.9 | 179.8 | -86.5 | -60.1 | 0 | 0 | 0 | 114.3 | C1771 L1772 T1773 L1777 I1778 V1803 A1806 C1807 I1810 A1886 | C1771-F1775 HydrophobicContact CB-CE2 4.47Å; C1771-F1775 WeakPolarHBondContact O-CD2 3.41Å; C1771-F1775 PolarHBondContact O-N 2.95Å; L1772-F1775 WeakPolarHBondContact O-CB 3.09Å; L1772-F1775 PolarHBondContact O-N 2.99Å; L1772-F1775 VanDerWaalsContact O-N 3.09Å; T1773-F1775 PolarHBondContact O-N 3.18Å; F1775-L1777 VanDerWaalsContact C-N 3.35Å; F1775-I1778 HydrophobicContact CD1-CD1 3.28Å; F1775-I1778 HydrophobicContact CD1-CG1 4.4Å; F1775-I1778 HydrophobicContact CE1-CD1 3.59Å; F1775-I1778 HydrophobicContact CG-CD1 4.27Å; F1775-V1803 HydrophobicContact CE1-CG1 4.28Å; F1775-A1806 HydrophobicContact CD2-CB 4.36Å; F1775-A1806 HydrophobicContact CE2-CB 3.45Å; F1775-A1806 VanDerWaalsContact CE2-CB 3.45Å; F1775-A1806 HydrophobicContact CZ-CB 3.56Å; F1775-C1807 HydrophobicContact CZ-CB 4.33Å; F1775-C1807 VanDerWaalsContact CZ-SG 3.57Å; F1775-I1810 HydrophobicContact CD2-CD1 3.56Å; F1775-I1810 HydrophobicContact CE2-CD1 3.55Å; F1775-I1810 HydrophobicContact CE2-CG1 4.28Å; F1775-A1886 VanDerWaalsContact CD1-CA 3.5Å; F1775-A1886 HydrophobicContact CD1-CB 3.29Å; F1775-A1886 HydrophobicContact CE1-CB 3.14Å; F1775-A1886 HydrophobicContact CE2-CB 4.44Å; F1775-A1886 HydrophobicContact CG-CB 4.1Å; F1775-A1886 HydrophobicContact CZ-CB 3.78Å |
| 1776 | E | 53.3 | Low | 48.8 | Very low | 107 Ų | 107 | 49.3 Ų | 49.3 | 50% | 0.5 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.5 | -28.7 | 176 | -69.6 | -171.2 | 150.8 | 0 | 0 | 112.9 | I1690 L1772 T1773 P1779 L1780 | I1690-E1776 HydrophobicContact CD1-CB 4.07Å; I1690-E1776 HydrophobicContact CD1-CG 4.31Å; L1772-E1776 PolarHBondContact O-N 2.99Å; T1773-E1776 PolarHBondContact O-N 2.72Å; E1776-P1779 WeakPolarHBondContact O-CD 3.22Å; E1776-L1780 VanDerWaalsContact O-CD1 3.28Å; E1776-L1780 WeakPolarHBondContact O-CD1 3.42Å |
| 1777 | L | 52.7 | Low | 48.6 | Very low | 61 Ų | 61 | 52.2 Ų | 52.2 | 32% | 0.319 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.6 | -29.3 | 178.4 | -63.9 | 171.9 | 0 | 0 | 0 | 113.4 | I1694 T1773 L1774 F1775 L1780 L1781 | I1694-L1777 HydrophobicContact CD1-CD2 3.55Å; I1694-L1777 HydrophobicContact CG1-CD2 4.4Å; T1773-L1777 WeakPolarHBondContact O-CG 3.45Å; T1773-L1777 PolarHBondContact O-N 2.85Å; L1774-L1777 PolarHBondContact O-N 2.72Å; F1775-L1777 VanDerWaalsContact C-N 3.35Å; L1777-L1780 PolarHBondContact O-N 2.77Å; L1777-L1781 HydrophobicContact CB-CD1 3.97Å; L1777-L1781 WeakPolarHBondContact O-CD1 3.36Å; L1777-L1781 WeakPolarHBondContact O-CG 3.26Å; L1777-L1781 PolarHBondContact O-N 2.97Å |
| 1778 | I | 53.1 | Low | 48.1 | Very low | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | -167.1 | -31.4 | 169.1 | 0 | 0 | 0 | 114.7 | L1774 F1775 L1780 L1781 F1782 L1799 V1803 A1889 | L1774-I1778 WeakPolarHBondContact O-CG1 3.49Å; F1775-I1778 HydrophobicContact CD1-CD1 3.28Å; F1775-I1778 HydrophobicContact CD1-CG1 4.4Å; F1775-I1778 HydrophobicContact CE1-CD1 3.59Å; F1775-I1778 HydrophobicContact CG-CD1 4.27Å; I1778-L1780 PolarHBondContact O-N 3.38Å; I1778-L1780 VanDerWaalsContact O-N 3.09Å; I1778-L1781 PolarHBondContact O-N 2.73Å; I1778-L1781 VanDerWaalsContact O-N 3.13Å; I1778-F1782 HydrophobicContact CG2-CD2 3.75Å; I1778-F1782 HydrophobicContact CG2-CE2 3.46Å; I1778-F1782 VanDerWaalsContact CG2-CE2 3.46Å; I1778-F1782 WeakPolarHBondContact O-CD2 3.32Å; I1778-F1782 PolarHBondContact O-N 2.7Å; I1778-F1782 VanDerWaalsContact O-N 3.13Å; I1778-L1799 HydrophobicContact CG2-CD2 4.04Å; I1778-V1803 HydrophobicContact CD1-CB 4.24Å; I1778-V1803 HydrophobicContact CD1-CG1 3.76Å; I1778-V1803 HydrophobicContact CD1-CG2 3.49Å; I1778-V1803 VanDerWaalsContact CD1-CG2 3.49Å; I1778-V1803 HydrophobicContact CG1-CG2 3.89Å; I1778-V1803 HydrophobicContact CG2-CG2 3.78Å; I1778-A1889 HydrophobicContact CB-CB 3.72Å; I1778-A1889 HydrophobicContact CD1-CB 3.99Å; I1778-A1889 HydrophobicContact CG1-CB 4.48Å; I1778-A1889 HydrophobicContact CG2-CB 3.75Å |
| 1779 | P | 46.6 | Very low | 47.9 | Very low | 60 Ų | 60 | 61.7 Ų | 61.7 | 39% | 0.39 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56 | -30.4 | -179.1 | -26.9 | 36 | 0 | 0 | 0 | 113.3 | E1776 H1783 | E1776-P1779 WeakPolarHBondContact O-CD 3.22Å; P1779-H1783 PolarHBondContact O-N 3.39Å |
| 1780 | L | 47.3 | Very low | 47.5 | Very low | 26 Ų | 26 | 65.3 Ų | 65.3 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -83.8 | -36 | -177.9 | -57.6 | 95.5 | 0 | 0 | 0 | 111.1 | I1690 Q1691 I1694 E1776 L1777 I1778 F1782 H1783 W1784 | I1690-L1780 HydrophobicContact CG2-CD1 3.51Å; I1690-L1780 HydrophobicContact CG2-CD2 4.01Å; I1690-L1780 HydrophobicContact CG2-CG 4.44Å; Q1691-L1780 HydrophobicContact CB-CD2 4.15Å; Q1691-L1780 HydrophobicContact CG-CD2 3.51Å; I1694-L1780 HydrophobicContact CB-CD2 3.92Å; I1694-L1780 HydrophobicContact CD1-CB 3.79Å; I1694-L1780 HydrophobicContact CD1-CD1 4Å; I1694-L1780 HydrophobicContact CD1-CD2 3.89Å; I1694-L1780 HydrophobicContact CD1-CG 4.08Å; I1694-L1780 HydrophobicContact CG1-CD2 4.21Å; I1694-L1780 HydrophobicContact CG2-CB 4.17Å; I1694-L1780 HydrophobicContact CG2-CD2 4.45Å; E1776-L1780 VanDerWaalsContact O-CD1 3.28Å; E1776-L1780 WeakPolarHBondContact O-CD1 3.42Å; L1777-L1780 PolarHBondContact O-N 2.77Å; I1778-L1780 PolarHBondContact O-N 3.38Å; I1778-L1780 VanDerWaalsContact O-N 3.09Å; L1780-F1782 PolarHBondContact O-N 3.05Å; L1780-H1783 PolarHBondContact O-N 2.85Å; L1780-H1783 VanDerWaalsContact O-N 3.1Å; L1780-W1784 VanDerWaalsContact O-CD1 3.28Å |
| 1781 | L | 49.9 | Very low | 47.3 | Very low | 35 Ų | 35 | 68.4 Ų | 68.4 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.3 | -21.2 | 169.7 | -67.5 | 159.3 | 0 | 0 | 0 | 112.8 | I1702 L1777 I1778 L1799 | I1702-L1781 HydrophobicContact CD1-CD2 3.53Å; L1777-L1781 HydrophobicContact CB-CD1 3.97Å; L1777-L1781 WeakPolarHBondContact O-CD1 3.36Å; L1777-L1781 WeakPolarHBondContact O-CG 3.26Å; L1777-L1781 PolarHBondContact O-N 2.97Å; I1778-L1781 PolarHBondContact O-N 2.73Å; I1778-L1781 VanDerWaalsContact O-N 3.13Å; L1781-L1799 HydrophobicContact CB-CD1 4.33Å; L1781-L1799 HydrophobicContact CB-CD2 4.26Å; L1781-L1799 HydrophobicContact CD1-CD1 3.89Å; L1781-L1799 HydrophobicContact CD1-CD2 3.73Å; L1781-L1799 HydrophobicContact CD1-CG 4.38Å; L1781-L1799 HydrophobicContact CD2-CD1 4.04Å; L1781-L1799 HydrophobicContact CG-CD1 4.31Å |
| 1782 | F | 49.1 | Very low | 47.3 | Very low | 25 Ų | 25 | 70.1 Ų | 70.1 | 11% | 0.11 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -87.7 | -18.9 | 171.5 | -81.5 | -63.5 | 0 | 0 | 0 | 116 | I1778 L1780 W1784 A1892 L1893 | I1778-F1782 HydrophobicContact CG2-CD2 3.75Å; I1778-F1782 HydrophobicContact CG2-CE2 3.46Å; I1778-F1782 VanDerWaalsContact CG2-CE2 3.46Å; I1778-F1782 WeakPolarHBondContact O-CD2 3.32Å; I1778-F1782 PolarHBondContact O-N 2.7Å; I1778-F1782 VanDerWaalsContact O-N 3.13Å; L1780-F1782 PolarHBondContact O-N 3.05Å; F1782-W1784 PolarHBondContact O-N 2.9Å; F1782-A1892 HydrophobicContact CG-CB 4.49Å; F1782-L1893 HydrophobicContact CD1-CB 4.49Å; F1782-L1893 HydrophobicContact CE1-CB 3.8Å; F1782-L1893 HydrophobicContact CE1-CD1 3.71Å; F1782-L1893 HydrophobicContact CE1-CG 4.17Å; F1782-L1893 HydrophobicContact CE2-CB 3.81Å; F1782-L1893 HydrophobicContact CE2-CD2 4.04Å; F1782-L1893 HydrophobicContact CE2-CG 4.36Å; F1782-L1893 HydrophobicContact CZ-CB 3.47Å; F1782-L1893 VanDerWaalsContact CZ-CB 3.47Å; F1782-L1893 HydrophobicContact CZ-CD1 3.55Å; F1782-L1893 HydrophobicContact CZ-CD2 3.64Å; F1782-L1893 HydrophobicContact CZ-CG 3.7Å |
| 1783 | H | 51.4 | Low | 47.1 | Very low | 151 Ų | 151 | 68.7 Ų | 68.7 | 70% | 0.699 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -72 | -14.4 | -179.5 | -116.3 | -46 | 0 | 0 | 0 | 113.7 | P1779 L1780 S1785 | P1779-H1783 PolarHBondContact O-N 3.39Å; L1780-H1783 PolarHBondContact O-N 2.85Å; L1780-H1783 VanDerWaalsContact O-N 3.1Å; H1783-S1785 PolarHBondContact O-N 3.27Å |
| 1784 | W | 45.9 | Very low | 47.1 | Very low | 40 Ų | 40 | 73.2 Ų | 73.2 | 15% | 0.152 | 39% | 0.385 | C | S | . | . | trans | -69.1 | 37.7 | 178.6 | -77.6 | 52.3 | 0 | 0 | 0 | 115.5 | H1699 I1702 T1703 L1780 F1782 Y1792 K1796 | H1699-W1784 HydrophobicContact CB-CH2 4.36Å; H1699-W1784 HydrophobicContact CB-CZ2 4.16Å; H1699-W1784 AromaticContact CD2-CE2 3.94Å; H1699-W1784 AromaticContact CD2-CZ2 3.96Å; H1699-W1784 AromaticContact CD2-NE1 3.97Å; H1699-W1784 AromaticContact CE1-CD2 3.37Å; H1699-W1784 AromaticContact CE1-CE2 3.3Å; H1699-W1784 AromaticContact CE1-CE3 3.57Å; H1699-W1784 AromaticContact CE1-CH2 3.69Å; H1699-W1784 AromaticContact CE1-CZ2 3.53Å; H1699-W1784 AromaticContact CE1-CZ3 3.71Å; H1699-W1784 AromaticContact CE1-NE1 3.79Å; H1699-W1784 AromaticContact CG-CE2 3.97Å; H1699-W1784 AromaticContact CG-CH2 3.86Å; H1699-W1784 AromaticContact CG-CZ2 3.56Å; H1699-W1784 AromaticContact ND1-CD2 3.94Å; H1699-W1784 AromaticContact ND1-CE2 3.59Å; H1699-W1784 AromaticContact ND1-CE3 3.91Å; H1699-W1784 AromaticContact ND1-CH2 3.21Å; H1699-W1784 WeakPolarHBondContact ND1-CH2 3.44Å; H1699-W1784 AromaticContact ND1-CZ2 3.27Å; H1699-W1784 VanDerWaalsContact ND1-CZ2 3.27Å; H1699-W1784 WeakPolarHBondContact ND1-CZ2 3.4Å; H1699-W1784 AromaticContact ND1-CZ3 3.54Å; H1699-W1784 AromaticContact NE2-CD1 3.97Å; H1699-W1784 AromaticContact NE2-CD2 3.87Å; H1699-W1784 AromaticContact NE2-CE2 3.53Å; H1699-W1784 AromaticContact NE2-CZ2 3.95Å; H1699-W1784 AromaticContact NE2-NE1 3.54Å; H1699-W1784 WeakPolarHBondContact O-CH2 3.49Å; I1702-W1784 HydrophobicContact CB-CH2 3.52Å; I1702-W1784 HydrophobicContact CB-CZ2 3.98Å; I1702-W1784 HydrophobicContact CB-CZ3 4.33Å; I1702-W1784 HydrophobicContact CD1-CH2 4.42Å; I1702-W1784 HydrophobicContact CD1-CZ2 3.99Å; I1702-W1784 HydrophobicContact CG2-CH2 3.57Å; I1702-W1784 HydrophobicContact CG2-CZ2 4.16Å; I1702-W1784 HydrophobicContact CG2-CZ3 3.91Å; T1703-W1784 HydrophobicContact CG2-CZ3 4.36Å; L1780-W1784 VanDerWaalsContact O-CD1 3.28Å; F1782-W1784 PolarHBondContact O-N 2.9Å; W1784-Y1792 HydrophobicContact CZ3-CE1 4.03Å; W1784-K1796 PolarHBondContact O-NZ 2.84Å | ||
| 1785 | S | 38.1 | Very low | 47 | Very low | 56 Ų | 56 | 73.1 Ų | 73.1 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | trans | -102.3 | -15.2 | -165.4 | 56.6 | 0 | 0 | 0 | 0 | 117 | H1783 | H1783-S1785 PolarHBondContact O-N 3.27Š| ||
| 1786 | N | 38.6 | Very low | 46.8 | Very low | 154 Ų | 154 | 74 Ų | 74 | 82% | 0.824 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -94.9 | -5.8 | -168.7 | -75.9 | -22.1 | 0 | 0 | 0 | 116.4 | ||
| 1787 | I | 36.8 | Very low | 46.8 | Very low | 146 Ų | 146 | 69.5 Ų | 69.5 | 75% | 0.749 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -142.5 | 152.5 | -175.8 | -38 | 179.4 | 0 | 0 | 0 | 109.8 | ||
| 1788 | C | 31.8 | Very low | 47 | Very low | 105 Ų | 105 | 72.9 Ų | 72.9 | 71% | 0.709 | 38% | 0.376 | S | S | * | . | trans | 83.5 | 167.7 | 169.2 | -68.2 | 0 | 0 | 0 | 0 | 119.3 | Y1792 | C1788-Y1792 HydrophobicContact CB-CD2 4.12Å; C1788-Y1792 HydrophobicContact CB-CE2 4.18Å | ||
| 1789 | K | 39.9 | Very low | 47.4 | Very low | 145 Ų | 145 | 74.4 Ų | 74.4 | 63% | 0.63 | 38% | 0.384 | S | S | * | . | trans | -74.3 | 164.3 | -155.5 | -68.8 | 179.3 | -177 | 176.2 | 0 | 115.9 | D1791 Y1792 | K1789-D1791 VanDerWaalsContact CB-OD2 3.28Å; K1789-D1791 WeakPolarHBondContact CB-OD2 3.47Å; K1789-D1791 WeakPolarHBondContact CD-OD2 3.26Å; K1789-D1791 PolarHBondContact O-N 3.28Å; K1789-D1791 VanDerWaalsContact O-N 3.11Å; K1789-Y1792 PolarHBondContact O-N 3.2Å; K1789-Y1792 VanDerWaalsContact O-N 3.17Å | ||
| 1790 | P | 40.7 | Very low | 48 | Very low | 100 Ų | 100 | 71.7 Ų | 71.7 | 65% | 0.649 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -53.1 | -28.8 | 173.2 | 21.8 | -36 | 0 | 0 | 0 | 114.6 | Y1792 L1793 | P1790-Y1792 PolarHBondContact O-N 2.92Å; P1790-L1793 WeakPolarHBondContact O-CB 3.48Å; P1790-L1793 PolarHBondContact O-N 3.4Å |
| 1791 | D | 46.8 | Very low | 48.6 | Very low | 96 Ų | 96 | 74.9 Ų | 74.9 | 51% | 0.513 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -52.4 | -29.9 | 178.4 | -38 | -40.4 | 0 | 0 | 0 | 112.7 | K1789 L1793 | K1789-D1791 VanDerWaalsContact CB-OD2 3.28Å; K1789-D1791 WeakPolarHBondContact CB-OD2 3.47Å; K1789-D1791 WeakPolarHBondContact CD-OD2 3.26Å; K1789-D1791 PolarHBondContact O-N 3.28Å; K1789-D1791 VanDerWaalsContact O-N 3.11Å; D1791-L1793 VanDerWaalsContact C-N 3.28Å; D1791-L1793 PolarHBondContact O-N 2.82Å |
| 1792 | Y | 51.1 | Low | 49.1 | Very low | 45 Ų | 45 | 77.7 Ų | 77.7 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -70.8 | -14.8 | 177.2 | -82.9 | -89.3 | 0 | 0 | 0 | 114.9 | T1703 W1784 C1788 K1789 P1790 I1794 I1795 K1796 | T1703-Y1792 WeakPolarHBondContact CA-OH 3.42Å; T1703-Y1792 VanDerWaalsContact CB-OH 3.31Å; T1703-Y1792 WeakPolarHBondContact CB-OH 3.43Å; T1703-Y1792 HydrophobicContact CG2-CE1 4.36Å; T1703-Y1792 WeakPolarHBondContact CG2-OH 3.42Å; W1784-Y1792 HydrophobicContact CZ3-CE1 4.03Å; C1788-Y1792 HydrophobicContact CB-CD2 4.12Å; C1788-Y1792 HydrophobicContact CB-CE2 4.18Å; K1789-Y1792 PolarHBondContact O-N 3.2Å; K1789-Y1792 VanDerWaalsContact O-N 3.17Å; P1790-Y1792 PolarHBondContact O-N 2.92Å; Y1792-I1794 VanDerWaalsContact C-N 3.32Å; Y1792-I1794 PolarHBondContact O-N 2.67Å; Y1792-I1795 PolarHBondContact O-N 2.74Å; Y1792-K1796 PolarHBondContact O-N 3.49Å |
| 1793 | L | 49.9 | Very low | 49.8 | Very low | 17 Ų | 17 | 76.8 Ų | 76.8 | 9% | 0.089 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.5 | -33.3 | -177.7 | -124.8 | 85.1 | 0 | 0 | 0 | 112.1 | P1790 D1791 I1795 K1796 L1797 Y1896 V1900 I1925 | P1790-L1793 WeakPolarHBondContact O-CB 3.48Å; P1790-L1793 PolarHBondContact O-N 3.4Å; D1791-L1793 VanDerWaalsContact C-N 3.28Å; D1791-L1793 PolarHBondContact O-N 2.82Å; L1793-I1795 VanDerWaalsContact C-N 3.28Å; L1793-I1795 PolarHBondContact O-N 3.07Å; L1793-K1796 PolarHBondContact O-N 3.21Å; L1793-K1796 VanDerWaalsContact O-N 3.14Å; L1793-L1797 WeakPolarHBondContact O-CB 3.22Å; L1793-L1797 VanDerWaalsContact O-CG 3.26Å; L1793-L1797 WeakPolarHBondContact O-CG 3.44Å; L1793-L1797 PolarHBondContact O-N 2.84Å; L1793-Y1896 HydrophobicContact CD1-CE1 3.87Å; L1793-Y1896 WeakPolarHBondContact CD1-OH 3.29Å; L1793-Y1896 HydrophobicContact CG-CE1 4.48Å; L1793-V1900 HydrophobicContact CD1-CG2 4.3Å; L1793-V1900 HydrophobicContact CD2-CG1 3.97Å; L1793-V1900 HydrophobicContact CD2-CG2 4.38Å; L1793-I1925 HydrophobicContact CB-CD1 4.46Å; L1793-I1925 HydrophobicContact CD2-CB 4.28Å; L1793-I1925 HydrophobicContact CD2-CD1 3.56Å; L1793-I1925 HydrophobicContact CD2-CG1 3.72Å; L1793-I1925 HydrophobicContact CD2-CG2 3.58Å |
| 1794 | I | 53.9 | Low | 50.3 | Low | 119 Ų | 119 | 69.8 Ų | 69.8 | 61% | 0.61 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -58.7 | -41.8 | -179.9 | -62.1 | 174.9 | 0 | 0 | 0 | 110.9 | Y1792 L1797 R1798 | Y1792-I1794 VanDerWaalsContact C-N 3.32Å; Y1792-I1794 PolarHBondContact O-N 2.67Å; I1794-L1797 PolarHBondContact O-N 2.78Å; I1794-R1798 WeakPolarHBondContact O-CG 3.25Å; I1794-R1798 PolarHBondContact O-N 3.41Å |
| 1795 | I | 52.5 | Low | 51.1 | Low | 42 Ų | 42 | 72 Ų | 72 | 22% | 0.215 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 176.2 | -67.7 | 176.2 | 0 | 0 | 0 | 110.8 | I1702 Y1792 L1793 L1797 R1798 L1799 | I1702-I1795 HydrophobicContact CG2-CG2 4.38Å; Y1792-I1795 PolarHBondContact O-N 2.74Å; L1793-I1795 VanDerWaalsContact C-N 3.28Å; L1793-I1795 PolarHBondContact O-N 3.07Å; I1795-L1797 PolarHBondContact O-N 3.21Å; I1795-R1798 PolarHBondContact O-N 2.66Å; I1795-L1799 PolarHBondContact O-N 3.23Å |
| 1796 | K | 52.5 | Low | 52.2 | Low | 22 Ų | 22 | 69.5 Ų | 69.5 | 10% | 0.096 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62 | -30.9 | 178.4 | -68.7 | 178.8 | 178.4 | 174.8 | 0 | 112.8 | W1784 Y1792 L1793 Y1896 | W1784-K1796 PolarHBondContact O-NZ 2.84Å; Y1792-K1796 PolarHBondContact O-N 3.49Å; L1793-K1796 PolarHBondContact O-N 3.21Å; L1793-K1796 VanDerWaalsContact O-N 3.14Å; K1796-Y1896 HydrophobicContact CD-CE1 3.73Å; K1796-Y1896 PolarHBondContact NZ-OH 2.85Å |
| 1797 | L | 54.3 | Low | 53.3 | Low | 12 Ų | 12 | 62.5 Ų | 62.5 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -78.5 | -38.6 | 174.7 | -66.5 | -179.4 | 0 | 0 | 0 | 113.1 | L1793 I1794 I1795 L1799 L1800 V1897 I1925 A1928 A1929 | L1793-L1797 WeakPolarHBondContact O-CB 3.22Å; L1793-L1797 VanDerWaalsContact O-CG 3.26Å; L1793-L1797 WeakPolarHBondContact O-CG 3.44Å; L1793-L1797 PolarHBondContact O-N 2.84Å; I1794-L1797 PolarHBondContact O-N 2.78Å; I1795-L1797 PolarHBondContact O-N 3.21Å; L1797-L1799 PolarHBondContact O-N 2.93Å; L1797-L1800 VanDerWaalsContact O-CB 3.32Å; L1797-L1800 WeakPolarHBondContact O-CB 3.44Å; L1797-L1800 PolarHBondContact O-N 2.83Å; L1797-L1800 VanDerWaalsContact O-N 3.16Å; L1797-V1897 HydrophobicContact CD2-CG2 4.49Å; L1797-I1925 HydrophobicContact CD1-CB 4.34Å; L1797-I1925 HydrophobicContact CD1-CG1 4.38Å; L1797-I1925 HydrophobicContact CD1-CG2 4.17Å; L1797-I1925 WeakPolarHBondContact CD1-O 2.83Å; L1797-A1928 HydrophobicContact CD1-CB 4.01Å; L1797-A1929 HydrophobicContact CD1-CB 4.46Å; L1797-A1929 HydrophobicContact CD2-CB 3.58Å |
| 1798 | R | 58 | Low | 54.6 | Low | 133 Ų | 133 | 56.4 Ų | 56.4 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.6 | -26.6 | 172.9 | -71 | -64.4 | -179.5 | -164.8 | -3.5 | 112.7 | I1794 I1795 E1801 L1802 | I1794-R1798 WeakPolarHBondContact O-CG 3.25Å; I1794-R1798 PolarHBondContact O-N 3.41Å; I1795-R1798 PolarHBondContact O-N 2.66Å; R1798-E1801 WeakPolarHBondContact CD-OE2 3.22Å; R1798-E1801 IonicContact CZ-OE2 3.04Å; R1798-E1801 IonicContact NE-OE2 2.79Å; R1798-E1801 IonicContact NH1-OE1 3.73Å; R1798-E1801 IonicContact NH1-OE2 3.05Å; R1798-E1801 PolarHBondContact NH1-OE2 3.42Å; R1798-E1801 WeakPolarHBondContact O-CB 3.22Å; R1798-E1801 PolarHBondContact O-N 3.07Å; R1798-L1802 PolarHBondContact O-N 3.5Å |
| 1799 | L | 59.8 | Low | 55.9 | Low | 33 Ų | 33 | 54.2 Ų | 54.2 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.7 | -34.6 | 171.4 | -124.8 | 130.8 | 0 | 0 | 0 | 112.9 | I1778 L1781 I1795 L1797 E1801 L1802 V1803 | I1778-L1799 HydrophobicContact CG2-CD2 4.04Å; L1781-L1799 HydrophobicContact CB-CD1 4.33Å; L1781-L1799 HydrophobicContact CB-CD2 4.26Å; L1781-L1799 HydrophobicContact CD1-CD1 3.89Å; L1781-L1799 HydrophobicContact CD1-CD2 3.73Å; L1781-L1799 HydrophobicContact CD1-CG 4.38Å; L1781-L1799 HydrophobicContact CD2-CD1 4.04Å; L1781-L1799 HydrophobicContact CG-CD1 4.31Å; I1795-L1799 PolarHBondContact O-N 3.23Å; L1797-L1799 PolarHBondContact O-N 2.93Å; L1799-E1801 VanDerWaalsContact C-N 3.27Å; L1799-E1801 PolarHBondContact O-N 3.08Å; L1799-L1802 PolarHBondContact O-N 3.04Å; L1799-V1803 HydrophobicContact CD2-CG2 4.03Å; L1799-V1803 WeakPolarHBondContact O-CB 3.39Å; L1799-V1803 WeakPolarHBondContact O-CG2 3.37Å; L1799-V1803 PolarHBondContact O-N 2.9Å |
| 1800 | L | 58.8 | Low | 56.8 | Low | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -37 | 173.3 | 175.7 | 55.9 | 0 | 0 | 0 | 112.3 | L1797 T1804 L1890 L1893 A1929 | L1797-L1800 VanDerWaalsContact O-CB 3.32Å; L1797-L1800 WeakPolarHBondContact O-CB 3.44Å; L1797-L1800 PolarHBondContact O-N 2.83Å; L1797-L1800 VanDerWaalsContact O-N 3.16Å; L1800-T1804 HydrophobicContact CD1-CG2 3.74Å; L1800-T1804 WeakPolarHBondContact O-CB 3.26Å; L1800-T1804 WeakPolarHBondContact O-CG2 3.5Å; L1800-T1804 PolarHBondContact O-N 3.37Å; L1800-T1804 PolarHBondContact O-OG1 3.17Å; L1800-L1890 HydrophobicContact CD1-CD1 4.42Å; L1800-L1893 HydrophobicContact CB-CD1 4.27Å; L1800-L1893 HydrophobicContact CB-CD2 3.78Å; L1800-L1893 HydrophobicContact CB-CG 4.45Å; L1800-L1893 HydrophobicContact CD1-CD2 3.39Å; L1800-L1893 HydrophobicContact CD1-CG 3.94Å; L1800-L1893 HydrophobicContact CD2-CD1 4.48Å; L1800-L1893 HydrophobicContact CG-CD2 4.08Å; L1800-A1929 HydrophobicContact CD2-CB 4.47Å; L1800-A1929 WeakPolarHBondContact CD2-O 3.4Å |
| 1801 | E | 60.7 | Low | 57.5 | Low | 93 Ų | 93 | 43 Ų | 43 | 44% | 0.435 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.5 | -52.8 | 177.4 | -160.9 | 168.9 | -166.6 | 0 | 0 | 110.5 | R1798 L1799 V1803 T1804 I1805 | R1798-E1801 WeakPolarHBondContact CD-OE2 3.22Å; R1798-E1801 IonicContact CZ-OE2 3.04Å; R1798-E1801 IonicContact NE-OE2 2.79Å; R1798-E1801 IonicContact NH1-OE1 3.73Å; R1798-E1801 IonicContact NH1-OE2 3.05Å; R1798-E1801 PolarHBondContact NH1-OE2 3.42Å; R1798-E1801 WeakPolarHBondContact O-CB 3.22Å; R1798-E1801 PolarHBondContact O-N 3.07Å; L1799-E1801 VanDerWaalsContact C-N 3.27Å; L1799-E1801 PolarHBondContact O-N 3.08Å; E1801-V1803 PolarHBondContact O-N 3.43Å; E1801-T1804 PolarHBondContact O-N 3.45Å; E1801-T1804 PolarHBondContact O-OG1 3.46Å; E1801-I1805 HydrophobicContact CG-CD1 4.47Å; E1801-I1805 WeakPolarHBondContact O-CD1 3.46Å; E1801-I1805 VanDerWaalsContact O-CG1 3.29Å; E1801-I1805 WeakPolarHBondContact O-CG1 3.49Å; E1801-I1805 PolarHBondContact O-N 2.88Å; E1801-I1805 VanDerWaalsContact O-N 3.07Å |
| 1802 | L | 61.5 | Low | 57.9 | Low | 94 Ų | 94 | 42.6 Ų | 42.6 | 49% | 0.492 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.7 | -46.6 | 175.3 | -84.6 | 161.7 | 0 | 0 | 0 | 113.3 | R1798 L1799 T1804 I1805 A1806 | R1798-L1802 PolarHBondContact O-N 3.5Å; L1799-L1802 PolarHBondContact O-N 3.04Å; L1802-T1804 PolarHBondContact O-N 3.17Å; L1802-I1805 PolarHBondContact O-N 3.4Å; L1802-A1806 PolarHBondContact O-N 3.17Å |
| 1803 | V | 62.8 | Low | 58 | Low | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | -178.5 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | F1775 I1778 L1799 E1801 A1806 C1807 | F1775-V1803 HydrophobicContact CE1-CG1 4.28Å; I1778-V1803 HydrophobicContact CD1-CB 4.24Å; I1778-V1803 HydrophobicContact CD1-CG1 3.76Å; I1778-V1803 HydrophobicContact CD1-CG2 3.49Å; I1778-V1803 VanDerWaalsContact CD1-CG2 3.49Å; I1778-V1803 HydrophobicContact CG1-CG2 3.89Å; I1778-V1803 HydrophobicContact CG2-CG2 3.78Å; L1799-V1803 HydrophobicContact CD2-CG2 4.03Å; L1799-V1803 WeakPolarHBondContact O-CB 3.39Å; L1799-V1803 WeakPolarHBondContact O-CG2 3.37Å; L1799-V1803 PolarHBondContact O-N 2.9Å; E1801-V1803 PolarHBondContact O-N 3.43Å; V1803-A1806 PolarHBondContact O-N 2.72Å; V1803-C1807 WeakPolarHBondContact O-CB 3.48Å; V1803-C1807 PolarHBondContact O-N 2.88Å; V1803-C1807 PolarHBondContact O-SG 3.05Å; V1803-C1807 VanDerWaalsContact O-SG 3.32Å |
| 1804 | T | 62.1 | Low | 58 | Low | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72.7 | -29.4 | 177.3 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | L1800 E1801 L1802 L1808 L1890 P1931 L1935 | L1800-T1804 HydrophobicContact CD1-CG2 3.74Å; L1800-T1804 WeakPolarHBondContact O-CB 3.26Å; L1800-T1804 WeakPolarHBondContact O-CG2 3.5Å; L1800-T1804 PolarHBondContact O-N 3.37Å; L1800-T1804 PolarHBondContact O-OG1 3.17Å; E1801-T1804 PolarHBondContact O-N 3.45Å; E1801-T1804 PolarHBondContact O-OG1 3.46Å; L1802-T1804 PolarHBondContact O-N 3.17Å; T1804-L1808 WeakPolarHBondContact O-CD1 3.34Å; T1804-L1808 VanDerWaalsContact O-CG 3.26Å; T1804-L1808 WeakPolarHBondContact O-CG 3.44Å; T1804-L1808 PolarHBondContact O-N 3.31Å; T1804-L1890 HydrophobicContact CG2-CD1 4.31Å; T1804-P1931 HydrophobicContact CG2-CB 4.23Å; T1804-L1935 HydrophobicContact CG2-CD2 3.88Å |
| 1805 | I | 62.4 | Low | 57.8 | Low | 88 Ų | 88 | 41 Ų | 41 | 45% | 0.451 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.7 | -52.6 | 169.4 | -68.5 | 163.3 | 0 | 0 | 0 | 110.1 | E1801 L1802 C1807 L1808 E1809 | E1801-I1805 HydrophobicContact CG-CD1 4.47Å; E1801-I1805 WeakPolarHBondContact O-CD1 3.46Å; E1801-I1805 VanDerWaalsContact O-CG1 3.29Å; E1801-I1805 WeakPolarHBondContact O-CG1 3.49Å; E1801-I1805 PolarHBondContact O-N 2.88Å; E1801-I1805 VanDerWaalsContact O-N 3.07Å; L1802-I1805 PolarHBondContact O-N 3.4Å; I1805-C1807 VanDerWaalsContact C-N 3.27Å; I1805-C1807 PolarHBondContact O-N 3.3Å; I1805-L1808 WeakPolarHBondContact O-CA 3.29Å; I1805-L1808 WeakPolarHBondContact O-CB 3.42Å; I1805-L1808 PolarHBondContact O-N 3.35Å; I1805-E1809 PolarHBondContact O-N 3.15Å |
| 1806 | A | 61.9 | Low | 57.5 | Low | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -34.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | C1771 F1775 L1802 V1803 L1808 E1809 I1810 | C1771-A1806 HydrophobicContact CB-CB 4.11Å; F1775-A1806 HydrophobicContact CD2-CB 4.36Å; F1775-A1806 HydrophobicContact CE2-CB 3.45Å; F1775-A1806 VanDerWaalsContact CE2-CB 3.45Å; F1775-A1806 HydrophobicContact CZ-CB 3.56Å; L1802-A1806 PolarHBondContact O-N 3.17Å; V1803-A1806 PolarHBondContact O-N 2.72Å; A1806-L1808 VanDerWaalsContact C-N 3.28Å; A1806-L1808 PolarHBondContact O-N 2.84Å; A1806-E1809 PolarHBondContact O-N 3.35Å; A1806-I1810 PolarHBondContact O-N 3.27Å; A1806-I1810 VanDerWaalsContact O-N 3.16Å |
| 1807 | C | 61.5 | Low | 56.7 | Low | 7 Ų | 7 | 46.9 Ų | 46.9 | 5% | 0.047 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -34.4 | 174.3 | -78.8 | 0 | 0 | 0 | 0 | 112 | F1775 V1803 I1805 G1811 L1935 L1938 | F1775-C1807 HydrophobicContact CZ-CB 4.33Å; F1775-C1807 VanDerWaalsContact CZ-SG 3.57Å; V1803-C1807 WeakPolarHBondContact O-CB 3.48Å; V1803-C1807 PolarHBondContact O-N 2.88Å; V1803-C1807 PolarHBondContact O-SG 3.05Å; V1803-C1807 VanDerWaalsContact O-SG 3.32Å; I1805-C1807 VanDerWaalsContact C-N 3.27Å; I1805-C1807 PolarHBondContact O-N 3.3Å; C1807-G1811 WeakPolarHBondContact O-CA 3.36Å; C1807-G1811 PolarHBondContact O-N 2.97Å; C1807-L1935 HydrophobicContact CB-CD1 4.19Å; C1807-L1938 WeakPolarHBondContact O-CD2 3.13Å |
| 1808 | L | 63.5 | Low | 55.8 | Low | 17 Ų | 17 | 50.8 Ų | 50.8 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -78.8 | -33 | 179.9 | -70.3 | 168.8 | 0 | 0 | 0 | 112.5 | T1804 I1805 A1806 Q1812 H1932 K1934 | T1804-L1808 WeakPolarHBondContact O-CD1 3.34Å; T1804-L1808 VanDerWaalsContact O-CG 3.26Å; T1804-L1808 WeakPolarHBondContact O-CG 3.44Å; T1804-L1808 PolarHBondContact O-N 3.31Å; I1805-L1808 WeakPolarHBondContact O-CA 3.29Å; I1805-L1808 WeakPolarHBondContact O-CB 3.42Å; I1805-L1808 PolarHBondContact O-N 3.35Å; A1806-L1808 VanDerWaalsContact C-N 3.28Å; A1806-L1808 PolarHBondContact O-N 2.84Å; L1808-Q1812 WeakPolarHBondContact O-CB 3.37Å; L1808-Q1812 VanDerWaalsContact O-CG 3.29Å; L1808-Q1812 WeakPolarHBondContact O-CG 3.28Å; L1808-Q1812 PolarHBondContact O-N 3.43Å; L1808-Q1812 PolarHBondContact O-NE2 3.3Å; L1808-H1932 HydrophobicContact CD1-CB 3.88Å; L1808-H1932 WeakPolarHBondContact CD1-ND1 3.11Å; L1808-K1934 HydrophobicContact CD1-CB 4.19Å; L1808-K1934 HydrophobicContact CD2-CB 3.54Å |
| 1809 | E | 59 | Low | 54.3 | Low | 60 Ų | 60 | 52.7 Ų | 52.7 | 28% | 0.28 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.4 | -61.7 | 171.6 | -67.4 | -85.4 | 115 | 0 | 0 | 110.3 | I1805 A1806 G1811 Q1812 I1813 | I1805-E1809 PolarHBondContact O-N 3.15Å; A1806-E1809 PolarHBondContact O-N 3.35Å; E1809-G1811 PolarHBondContact O-N 3.29Å; E1809-Q1812 PolarHBondContact O-N 2.72Å; E1809-Q1812 VanDerWaalsContact O-N 3.08Å; E1809-I1813 PolarHBondContact O-N 3.13Å |
| 1810 | I | 59.5 | Low | 52.7 | Low | 9 Ų | 9 | 55.8 Ų | 55.8 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -35.4 | 178.8 | -62.2 | -172.3 | 0 | 0 | 0 | 111.2 | C1771 L1772 F1775 A1806 Q1812 I1813 L1814 V1879 M1883 | C1771-I1810 HydrophobicContact CB-CD1 4.08Å; C1771-I1810 HydrophobicContact CB-CG1 4.16Å; L1772-I1810 HydrophobicContact CD2-CD1 4.08Å; F1775-I1810 HydrophobicContact CD2-CD1 3.56Å; F1775-I1810 HydrophobicContact CE2-CD1 3.55Å; F1775-I1810 HydrophobicContact CE2-CG1 4.28Å; A1806-I1810 PolarHBondContact O-N 3.27Å; A1806-I1810 VanDerWaalsContact O-N 3.16Å; I1810-Q1812 PolarHBondContact O-N 3.33Å; I1810-I1813 PolarHBondContact O-N 3.17Å; I1810-L1814 HydrophobicContact CG2-CD1 3.98Å; I1810-L1814 PolarHBondContact O-N 3.36Å; I1810-V1879 HydrophobicContact CG2-CG1 4.3Å; I1810-M1883 HydrophobicContact CG2-CE 4.39Å |
| 1811 | G | 54.3 | Low | 51.1 | Low | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | C1807 E1809 V1815 | C1807-G1811 WeakPolarHBondContact O-CA 3.36Å; C1807-G1811 PolarHBondContact O-N 2.97Å; E1809-G1811 PolarHBondContact O-N 3.29Å; G1811-V1815 PolarHBondContact O-N 2.87Å |
| 1812 | Q | 55.4 | Low | 49.3 | Very low | 87 Ų | 87 | 63.1 Ų | 63.1 | 41% | 0.407 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -74.1 | -31 | 175.5 | -77.4 | 167.2 | 106.2 | 0 | 0 | 112 | L1808 E1809 I1810 | L1808-Q1812 WeakPolarHBondContact O-CB 3.37Å; L1808-Q1812 VanDerWaalsContact O-CG 3.29Å; L1808-Q1812 WeakPolarHBondContact O-CG 3.28Å; L1808-Q1812 PolarHBondContact O-N 3.43Å; L1808-Q1812 PolarHBondContact O-NE2 3.3Å; E1809-Q1812 PolarHBondContact O-N 2.72Å; E1809-Q1812 VanDerWaalsContact O-N 3.08Å; I1810-Q1812 PolarHBondContact O-N 3.33Å |
| 1813 | I | 53.9 | Low | 47.4 | Very low | 108 Ų | 108 | 65.7 Ų | 65.7 | 55% | 0.554 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.3 | -41.8 | 173.1 | -63.4 | 168.6 | 0 | 0 | 0 | 111 | E1809 I1810 | E1809-I1813 PolarHBondContact O-N 3.13Å; I1810-I1813 PolarHBondContact O-N 3.17Å |
| 1814 | L | 50 | Low | 45.5 | Very low | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.131 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -77 | -36.6 | -178.2 | -80.7 | 166.9 | 0 | 0 | 0 | 114.6 | I1810 L1872 V1879 M1883 | I1810-L1814 HydrophobicContact CG2-CD1 3.98Å; I1810-L1814 PolarHBondContact O-N 3.36Å; L1814-L1872 HydrophobicContact CD2-CD2 3.81Å; L1814-V1879 HydrophobicContact CD1-CG1 3.98Å; L1814-V1879 HydrophobicContact CD2-CG1 3.82Å; L1814-V1879 HydrophobicContact CG-CG1 3.98Å; L1814-M1883 HydrophobicContact CD1-CE 3.51Å; L1814-M1883 HydrophobicContact CD1-SD 3.44Å; L1814-M1883 WeakPolarHBondContact CD1-SD 3.19Å |
| 1815 | V | 50.6 | Low | 43.6 | Very low | 13 Ų | 13 | 81 Ų | 81 | 8% | 0.079 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -134.1 | 81.2 | -179.2 | -166.3 | 0 | 0 | 0 | 0 | 109.8 | G1811 I1870 R1941 L1945 | G1811-V1815 PolarHBondContact O-N 2.87Å; V1815-I1870 HydrophobicContact CG1-CD1 4.49Å; V1815-R1941 HydrophobicContact CB-CB 4.48Å; V1815-R1941 HydrophobicContact CG1-CB 4.21Å; V1815-R1941 HydrophobicContact CG1-CG 4.28Å; V1815-R1941 HydrophobicContact CG2-CB 4.36Å; V1815-L1945 HydrophobicContact CG2-CD1 4.47Å |
| 1816 | P | 45 | Very low | 41.8 | Very low | 82 Ų | 82 | 85.2 Ų | 85.2 | 53% | 0.532 | 45% | 0.453 | S | S | . | . | trans | -56.9 | 144.8 | 175.6 | 24 | -34.4 | 0 | 0 | 0 | 110.6 | ||||
| 1817 | E | 35.8 | Very low | 39.9 | Very low | 107 Ų | 107 | 90.7 Ų | 90.7 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | trans | -67.1 | 133.1 | -178.2 | -51 | -129.5 | 114 | 0 | 0 | 109.7 | N1819 R1941 | E1817-N1819 PolarHBondContact O-N 3.22Å; E1817-N1819 VanDerWaalsContact O-N 3.13Å; E1817-R1941 IonicContact OE1-CZ 2.7Å; E1817-R1941 IonicContact OE1-NH1 3.8Å; E1817-R1941 PolarHBondContact OE1-NH1 3.35Å; E1817-R1941 IonicContact OE1-NH2 3.73Å; E1817-R1941 PolarHBondContact OE1-NH2 3.11Å | ||
| 1818 | P | 35.5 | Very low | 38 | Very low | 93 Ų | 93 | 93.6 Ų | 93.6 | 60% | 0.604 | 52% | 0.522 | S | S | * | . | trans | -66.7 | 115.4 | 173.3 | 27.1 | -32.4 | 0 | 0 | 0 | 108.7 | S1820 | P1818-S1820 PolarHBondContact O-N 2.58Š| ||
| 1819 | N | 26.4 | Very low | 36.2 | Very low | 174 Ų | 174 | 99.8 Ų | 99.8 | 93% | 0.93 | 56% | 0.556 | S | S | * | * | trans | -58.3 | 91 | -177.2 | -75.4 | -20.8 | 0 | 0 | 0 | 112 | E1817 | E1817-N1819 PolarHBondContact O-N 3.22Å; E1817-N1819 VanDerWaalsContact O-N 3.13Å | ||
| 1820 | S | 26 | Very low | 34.5 | Very low | 97 Ų | 97 | 106.9 Ų | 106.9 | 68% | 0.678 | 58% | 0.582 | S | S | * | * | trans | -92.2 | 137.3 | 172.8 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | P1818 | P1818-S1820 PolarHBondContact O-N 2.58Š| ||
| 1821 | N | 24.6 | Very low | 32.8 | Very low | 156 Ų | 156 | 110.7 Ų | 110.7 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | trans | 82.9 | 87.9 | 174.1 | -50.2 | -7.7 | 0 | 0 | 0 | 114.7 | ||||
| 1822 | S | 23.3 | Very low | 31.4 | Very low | 95 Ų | 95 | 116 Ų | 116 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | trans | -62.5 | 162.1 | 138.6 | 60 | 0 | 0 | 0 | 0 | 111 | ||||
| 1823 | D | 22.6 | Very low | 30 | Very low | 147 Ų | 147 | 120.2 Ų | 120.2 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | trans | 77.7 | 149.5 | 156.8 | -48.5 | -52.3 | 0 | 0 | 0 | 121 | ||||
| 1824 | E | 22.1 | Very low | 28.7 | Very low | 163 Ų | 163 | 120 Ų | 120 | 76% | 0.762 | 66% | 0.662 | S | S | * | * | trans | 66.6 | 76.9 | 168 | -57.8 | -152.3 | 160.6 | 0 | 0 | 121.8 | ||||
| 1825 | K | 23.5 | Very low | 27.6 | Very low | 168 Ų | 168 | 125.5 Ų | 125.5 | 73% | 0.73 | 69% | 0.687 | S | S | * | * | 172.6 | 114.1 | 104.5 | -90.1 | 147.4 | -167.6 | 160.4 | 0 | 110.9 | |||||
| 1826 | Q | 22.5 | Very low | 26.4 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | 64.3 | 127.8 | 91 | -70.3 | 179.4 | -4.7 | 0 | 0 | 114 | |||||
| 1827 | S | 22.2 | Very low | 25.5 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | cis | -170.7 | 146 | -6.2 | 49.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1828 | G | 23.6 | Very low | 25.1 | Very low | 68 Ų | 68 | 135.3 Ų | 135.3 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | 111.2 | 144.3 | 165 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1829 | N | 25.2 | Very low | 24.6 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | cis | -147.3 | 128.6 | -6.2 | -101.3 | -23.8 | 0 | 0 | 0 | 112.7 | ||||
| 1830 | Y | 22.9 | Very low | 24.5 | Very low | 209 Ų | 209 | 134.2 Ų | 134.2 | 82% | 0.82 | 73% | 0.729 | S | S | * | * | 26.6 | 113.6 | 129.6 | -77.6 | -81.8 | 0 | 0 | 0 | 119.9 | |||||
| 1831 | S | 23.6 | Very low | 24.6 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | 129.1 | 159.5 | 95.7 | 67.2 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1832 | N | 25.4 | Very low | 24.6 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 59% | 0.594 | 72% | 0.723 | S | S | * | * | trans | 73.3 | 105.9 | 164.4 | -61.7 | -55.4 | 0 | 0 | 0 | 115.3 | ||||
| 1833 | K | 25.6 | Very low | 24.8 | Very low | 177 Ų | 177 | 132.8 Ų | 132.8 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | 81.6 | 138.6 | 86.5 | -80.1 | 171.3 | -166 | 149.3 | 0 | 110.2 | |||||
| 1834 | S | 26.6 | Very low | 25 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | cis | -177 | 166.9 | 17.8 | 36.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1835 | H | 27 | Very low | 25.2 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 64% | 0.644 | 72% | 0.719 | S | S | * | * | cis | -168 | 172.4 | -9.1 | -128.5 | -91.5 | 0 | 0 | 0 | 106.1 | ||||
| 1836 | Y | 26 | Very low | 25.5 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 75% | 0.745 | 72% | 0.717 | S | S | * | * | trans | 62.8 | 138.1 | 153.6 | -67.7 | -52.9 | 0 | 0 | 0 | 119.3 | ||||
| 1837 | N | 26.4 | Very low | 25.8 | Very low | 128 Ų | 128 | 129.7 Ų | 129.7 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | cis | -155.7 | 159.7 | -19.4 | -149.4 | 10.2 | 0 | 0 | 0 | 114.1 | ||||
| 1838 | S | 25.7 | Very low | 26.2 | Very low | 90 Ų | 90 | 131.2 Ų | 131.2 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | trans | 2.9 | 130.3 | 150 | 67.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1839 | G | 25.6 | Very low | 26.4 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 71% | 0.707 | S | S | * | * | trans | -169.8 | 103.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1840 | K | 25.4 | Very low | 26.3 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | 49.9 | 123.5 | 56.9 | -69.1 | -170.3 | 165.7 | -169.3 | 0 | 111.7 | |||||
| 1841 | H | 26.2 | Very low | 26.2 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 68% | 0.681 | 70% | 0.704 | S | S | * | * | cis | -148.6 | -170.9 | 2.2 | -111.7 | -56.6 | 0 | 0 | 0 | 109.5 | ||||
| 1842 | S | 25.3 | Very low | 26.2 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | trans | 32.2 | 131.1 | 151.4 | 55.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1843 | G | 26.7 | Very low | 26.1 | Very low | 71 Ų | 71 | 145.2 Ų | 145.2 | 73% | 0.732 | 73% | 0.727 | S | S | * | * | 72.1 | 143.9 | 63.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1844 | V | 27.3 | Very low | 26.2 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 71% | 0.709 | 73% | 0.726 | S | S | * | * | -152.3 | 131.5 | 53.1 | 155.9 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1845 | N | 27.6 | Very low | 26.5 | Very low | 126 Ų | 126 | 142 Ų | 142 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | trans | 10.5 | 129.1 | 143.2 | -41.7 | -47.9 | 0 | 0 | 0 | 118.6 | ||||
| 1846 | H | 29.2 | Very low | 26.3 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 69% | 0.694 | 73% | 0.731 | S | S | * | * | -173.7 | 143.1 | 126.3 | -87.7 | -11.6 | 0 | 0 | 0 | 107.7 | |||||
| 1847 | R | 29.1 | Very low | 26.4 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | cis | -158.4 | 115.1 | -3.5 | -102 | 161.8 | -158.1 | -168.3 | 6.7 | 105.8 | ||||
| 1848 | I | 30.7 | Very low | 26.5 | Very low | 150 Ų | 150 | 141 Ų | 141 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | 2.6 | 133 | 87.5 | 10.9 | 175.4 | 0 | 0 | 0 | 114.1 | |||||
| 1849 | P | 27.2 | Very low | 26.6 | Very low | 97 Ų | 97 | 142.8 Ų | 142.8 | 63% | 0.63 | 75% | 0.745 | S | S | * | * | cis | -158.5 | -177.5 | 31 | 45.1 | -22.9 | 0 | 0 | 0 | 120.1 | ||||
| 1850 | R | 22.2 | Very low | 26.9 | Very low | 209 Ų | 209 | 143.6 Ų | 143.6 | 79% | 0.789 | 74% | 0.74 | S | S | * | * | trans | 55.7 | 128 | 134.3 | -78.6 | 164.8 | -172 | 172.6 | 1.2 | 122.8 | ||||
| 1851 | R | 22 | Very low | 27 | Very low | 204 Ų | 204 | 141.7 Ų | 141.7 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | 95.9 | 121.1 | 127.9 | -75.2 | 170.7 | 172.4 | -175.4 | -4.3 | 121.7 | |||||
| 1852 | Y | 22.2 | Very low | 26.8 | Very low | 207 Ų | 207 | 146.3 Ų | 146.3 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | 57.7 | 102.9 | 134.9 | -74.5 | -120.1 | 0 | 0 | 0 | 119.9 | ||||
| 1853 | K | 25 | Very low | 26.6 | Very low | 202 Ų | 202 | 144.8 Ų | 144.8 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | -174.6 | 157.7 | 100.3 | -97.8 | 168.7 | -177.6 | -178.8 | 0 | 113.3 | |||||
| 1854 | S | 26.5 | Very low | 26.3 | Very low | 108 Ų | 108 | 150 Ų | 150 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -63.6 | 168.5 | 179.8 | 48.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1855 | P | 32.7 | Very low | 26.1 | Very low | 106 Ų | 106 | 150 Ų | 150 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | cis | -135.7 | 169.3 | 18.1 | 42.4 | -26 | 0 | 0 | 0 | 117.9 | ||||
| 1856 | L | 23.9 | Very low | 25.9 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | 44.9 | 125.6 | 152.9 | -59.5 | 157.7 | 0 | 0 | 0 | 119 | ||||
| 1857 | N | 26.8 | Very low | 25.6 | Very low | 153 Ų | 153 | 152 Ų | 152 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | cis | -152 | 146.1 | -5.9 | -112.6 | -12.2 | 0 | 0 | 0 | 108.4 | ||||
| 1858 | N | 28.5 | Very low | 25.5 | Very low | 135 Ų | 135 | 152.4 Ų | 152.4 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | -139.7 | 147 | -171.8 | -151.2 | -11 | 0 | 0 | 0 | 108.7 | ||||
| 1859 | P | 28.5 | Very low | 25.2 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | -148.3 | 149.5 | 100.1 | 37.6 | -21.9 | 0 | 0 | 0 | 115.9 | |||||
| 1860 | S | 32.1 | Very low | 25.2 | Very low | 88 Ų | 88 | 149.9 Ų | 149.9 | 62% | 0.615 | 76% | 0.762 | S | S | * | * | trans | -131.1 | 165.9 | 156.8 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1861 | T | 26.8 | Very low | 25.4 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | 74.1 | 101.4 | 173.4 | 70.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 1862 | R | 21.5 | Very low | 25.8 | Very low | 244 Ų | 244 | 143.9 Ų | 143.9 | 92% | 0.921 | 75% | 0.745 | S | S | * | * | trans | -165.1 | 145.3 | 136.7 | -101.9 | -168.1 | 169.6 | 159 | -2.7 | 106.1 | ||||
| 1863 | S | 21.4 | Very low | 26.2 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 47% | 0.469 | 73% | 0.732 | S | S | . | * | cis | 160.2 | 139.7 | -14.5 | 45.4 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 1864 | E | 21.3 | Very low | 26.5 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | trans | 66.4 | 148.1 | 175.7 | -55.2 | 132.9 | -139.3 | 0 | 0 | 114.5 | ||||
| 1865 | C | 22.8 | Very low | 27 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | cis | -128.2 | 167.5 | 16.2 | -69.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1866 | N | 23 | Very low | 27.5 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | trans | -88.3 | 122.2 | 176.2 | -62 | -46.7 | 0 | 0 | 0 | 112.3 | ||||
| 1867 | H | 24.4 | Very low | 28.6 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | trans | -142.6 | 140.5 | 151.4 | -84.8 | -59.5 | 0 | 0 | 0 | 109.9 | S1869 | H1867-S1869 VanDerWaalsContact C-N 3.33Å; H1867-S1869 PolarHBondContact O-N 3.4Å; H1867-S1869 PolarHBondContact O-OG 3.26Å | ||
| 1868 | H | 25.3 | Very low | 29.7 | Very low | 204 Ų | 204 | 124.7 Ų | 124.7 | 94% | 0.944 | 67% | 0.668 | S | S | * | * | trans | -65.2 | 87.3 | -174.9 | -71.9 | -63.6 | 0 | 0 | 0 | 111.8 | ||||
| 1869 | S | 24.4 | Very low | 30.9 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | trans | -89.7 | 120.4 | 175.6 | 29.7 | 0 | 0 | 0 | 0 | 108.8 | H1867 R1871 | H1867-S1869 VanDerWaalsContact C-N 3.33Å; H1867-S1869 PolarHBondContact O-N 3.4Å; H1867-S1869 PolarHBondContact O-OG 3.26Å; S1869-R1871 PolarHBondContact O-N 3.25Å | ||
| 1870 | I | 29 | Very low | 32.3 | Very low | 102 Ų | 102 | 115.6 Ų | 115.6 | 52% | 0.523 | 62% | 0.616 | S | S | . | * | trans | -61.4 | 106.3 | 178.9 | -60.4 | 173.9 | 0 | 0 | 0 | 108.4 | V1815 L1872 | V1815-I1870 HydrophobicContact CG1-CD1 4.49Å; I1870-L1872 VanDerWaalsContact C-N 3.3Å; I1870-L1872 PolarHBondContact O-N 3.35Å | ||
| 1871 | R | 25.1 | Very low | 33.7 | Very low | 201 Ų | 201 | 113.9 Ų | 113.9 | 76% | 0.758 | 60% | 0.599 | S | S | * | * | trans | -72.1 | 87.5 | 166.9 | -88.7 | -175.2 | 168.2 | -179.6 | -3.8 | 108.4 | S1869 | S1869-R1871 PolarHBondContact O-N 3.25Š| ||
| 1872 | L | 31.6 | Very low | 35.1 | Very low | 86 Ų | 86 | 108.4 Ų | 108.4 | 45% | 0.45 | 57% | 0.566 | S | S | . | * | trans | -57.5 | 135.2 | 154.1 | -83.5 | 157.6 | 0 | 0 | 0 | 108.1 | L1814 I1870 L1945 | L1814-L1872 HydrophobicContact CD2-CD2 3.81Å; I1870-L1872 VanDerWaalsContact C-N 3.3Å; I1870-L1872 PolarHBondContact O-N 3.35Å; L1872-L1945 HydrophobicContact CD1-CD1 4.39Å; L1872-L1945 HydrophobicContact CD1-CD2 4.09Å | ||
| 1873 | L | 30.5 | Very low | 37.2 | Very low | 100 Ų | 100 | 97.3 Ų | 97.3 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | trans | -66 | 145.7 | 178.9 | -91 | 66.1 | 0 | 0 | 0 | 110.3 | A1875 | L1873-A1875 HydrophobicContact CB-CB 4.46Å; L1873-A1875 PolarHBondContact O-N 3.42Å | ||
| 1874 | P | 29.6 | Very low | 39.4 | Very low | 133 Ų | 133 | 95.8 Ų | 95.8 | 86% | 0.864 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -72.9 | 76.6 | 168.6 | 31.8 | -34.2 | 0 | 0 | 0 | 110.1 | ||
| 1875 | A | 37.3 | Very low | 41.4 | Very low | 50 Ų | 50 | 88.9 Ų | 88.9 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | trans | -143.6 | 58.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | L1873 | L1873-A1875 HydrophobicContact CB-CB 4.46Å; L1873-A1875 PolarHBondContact O-N 3.42Å | ||
| 1876 | T | 44.4 | Very low | 43.3 | Very low | 50 Ų | 50 | 83.5 Ų | 83.5 | 31% | 0.307 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -22.4 | -148.3 | 25.3 | 0 | 0 | 0 | 0 | 115.9 | C1880 E1980 | T1876-C1880 WeakPolarHBondContact O-CB 3.48Å; T1876-C1880 PolarHBondContact O-SG 3.45Å; T1876-E1980 VanDerWaalsContact CB-OE1 3.24Å; T1876-E1980 WeakPolarHBondContact CB-OE1 3.34Å; T1876-E1980 HydrophobicContact CG2-CG 4.46Å; T1876-E1980 VanDerWaalsContact CG2-OE1 3.31Å; T1876-E1980 WeakPolarHBondContact CG2-OE1 3.42Å; T1876-E1980 PolarHBondContact OG1-OE1 3.46Å |
| 1877 | D | 46.8 | Very low | 45.6 | Very low | 70 Ų | 70 | 76.3 Ų | 76.3 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -51.6 | 173.1 | -67.5 | -53.5 | 0 | 0 | 0 | 112.6 | V1879 C1880 I1881 | D1877-V1879 PolarHBondContact O-N 3.48Å; D1877-C1880 PolarHBondContact O-N 3.05Å; D1877-I1881 HydrophobicContact CB-CD1 4.06Å; D1877-I1881 WeakPolarHBondContact O-CB 3.32Å; D1877-I1881 PolarHBondContact O-N 3.3Å; D1877-I1881 VanDerWaalsContact O-N 3.13Å |
| 1878 | N | 49.2 | Very low | 47.7 | Very low | 118 Ų | 118 | 70.6 Ų | 70.6 | 63% | 0.631 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.3 | -163.8 | -68.7 | 16.1 | 0 | 0 | 0 | 116.4 | P1882 | N1878-P1882 WeakPolarHBondContact O-CG 3.49Š|
| 1879 | V | 54.5 | Low | 49.6 | Very low | 46 Ų | 46 | 61.1 Ų | 61.1 | 28% | 0.279 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.5 | -34.2 | -179.2 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | I1810 L1814 D1877 M1883 | I1810-V1879 HydrophobicContact CG2-CG1 4.3Å; L1814-V1879 HydrophobicContact CD1-CG1 3.98Å; L1814-V1879 HydrophobicContact CD2-CG1 3.82Å; L1814-V1879 HydrophobicContact CG-CG1 3.98Å; D1877-V1879 PolarHBondContact O-N 3.48Å; V1879-M1883 WeakPolarHBondContact O-CB 3.22Å; V1879-M1883 PolarHBondContact O-N 3.29Å; V1879-M1883 VanDerWaalsContact O-N 3.14Å |
| 1880 | C | 57.7 | Low | 51.8 | Low | 25 Ų | 25 | 56.8 Ų | 56.8 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.7 | -36.1 | 179.6 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | T1876 D1877 M1883 L1884 I1983 | T1876-C1880 WeakPolarHBondContact O-CB 3.48Å; T1876-C1880 PolarHBondContact O-SG 3.45Å; D1877-C1880 PolarHBondContact O-N 3.05Å; C1880-M1883 PolarHBondContact O-N 3.04Å; C1880-L1884 WeakPolarHBondContact O-CB 3.36Å; C1880-L1884 PolarHBondContact O-N 3.18Å; C1880-I1983 HydrophobicContact CB-CG2 3.4Å; C1880-I1983 VanDerWaalsContact CB-CG2 3.4Å |
| 1881 | I | 61.8 | Low | 53.9 | Low | 51 Ų | 51 | 52.7 Ų | 52.7 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -52.1 | 176.9 | -74.3 | 173.3 | 0 | 0 | 0 | 111.5 | Y1683 D1877 M1883 L1884 A1885 | Y1683-I1881 HydrophobicContact CE2-CD1 4.33Å; Y1683-I1881 WeakPolarHBondContact OH-CG1 3.29Å; Y1683-I1881 WeakPolarHBondContact OH-CG2 3.37Å; D1877-I1881 HydrophobicContact CB-CD1 4.06Å; D1877-I1881 WeakPolarHBondContact O-CB 3.32Å; D1877-I1881 PolarHBondContact O-N 3.3Å; D1877-I1881 VanDerWaalsContact O-N 3.13Å; I1881-M1883 VanDerWaalsContact C-N 3.32Å; I1881-M1883 PolarHBondContact O-N 2.81Å; I1881-L1884 WeakPolarHBondContact O-CB 3.41Å; I1881-L1884 PolarHBondContact O-N 2.99Å; I1881-L1884 VanDerWaalsContact O-N 3.14Å; I1881-A1885 PolarHBondContact O-N 2.8Å |
| 1882 | P | 56.4 | Low | 56 | Low | 20 Ų | 20 | 45.3 Ų | 45.3 | 13% | 0.13 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.3 | -38.7 | 173 | -27.7 | 35.4 | 0 | 0 | 0 | 113.7 | L1772 N1878 L1884 A1885 A1886 | L1772-P1882 HydrophobicContact CD2-CB 3.38Å; L1772-P1882 HydrophobicContact CD2-CG 3.41Å; L1772-P1882 VanDerWaalsContact CD2-CG 3.41Å; N1878-P1882 WeakPolarHBondContact O-CG 3.49Å; P1882-L1884 VanDerWaalsContact C-N 3.33Å; P1882-L1884 PolarHBondContact O-N 3.02Å; P1882-A1885 PolarHBondContact O-N 3.4Å; P1882-A1886 WeakPolarHBondContact O-CB 3.45Å; P1882-A1886 PolarHBondContact O-N 3.3Å |
| 1883 | M | 64.5 | Low | 57.6 | Low | 10 Ų | 10 | 41.2 Ų | 41.2 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.4 | -30.5 | 176.9 | -168.4 | 173.5 | -114.9 | 0 | 0 | 112.9 | I1810 L1814 V1879 C1880 I1881 A1886 L1887 L1938 L1942 L1987 | I1810-M1883 HydrophobicContact CG2-CE 4.39Å; L1814-M1883 HydrophobicContact CD1-CE 3.51Å; L1814-M1883 HydrophobicContact CD1-SD 3.44Å; L1814-M1883 WeakPolarHBondContact CD1-SD 3.19Å; V1879-M1883 WeakPolarHBondContact O-CB 3.22Å; V1879-M1883 PolarHBondContact O-N 3.29Å; V1879-M1883 VanDerWaalsContact O-N 3.14Å; C1880-M1883 PolarHBondContact O-N 3.04Å; I1881-M1883 VanDerWaalsContact C-N 3.32Å; I1881-M1883 PolarHBondContact O-N 2.81Å; M1883-A1886 WeakPolarHBondContact O-CB 3.45Å; M1883-L1887 HydrophobicContact CG-CD1 4.25Å; M1883-L1887 VanDerWaalsContact O-CG 3.32Å; M1883-L1887 WeakPolarHBondContact O-CG 3.15Å; M1883-L1887 PolarHBondContact O-N 3.31Å; M1883-L1938 HydrophobicContact CE-CD2 4.49Å; M1883-L1942 HydrophobicContact CE-CD1 3.82Å; M1883-L1942 HydrophobicContact CE-CD2 3.94Å; M1883-L1942 HydrophobicContact CE-CG 4.48Å; M1883-L1942 HydrophobicContact SD-CD1 3.67Å; M1883-L1942 HydrophobicContact SD-CD2 3.52Å; M1883-L1942 VanDerWaalsContact SD-CD2 3.52Å; M1883-L1942 HydrophobicContact SD-CG 4.26Å; M1883-L1987 HydrophobicContact CB-CD1 4.06Å; M1883-L1987 HydrophobicContact CG-CD1 3.82Å; M1883-L1987 HydrophobicContact SD-CD1 4.05Å |
| 1884 | L | 66.8 | Low | 59.4 | Low | 36 Ų | 36 | 36.6 Ų | 36.6 | 19% | 0.188 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -42.4 | 170.1 | -90.7 | 163.2 | 0 | 0 | 0 | 112.1 | C1880 I1881 P1882 G1888 I1983 R1986 L1987 A1990 | C1880-L1884 WeakPolarHBondContact O-CB 3.36Å; C1880-L1884 PolarHBondContact O-N 3.18Å; I1881-L1884 WeakPolarHBondContact O-CB 3.41Å; I1881-L1884 PolarHBondContact O-N 2.99Å; I1881-L1884 VanDerWaalsContact O-N 3.14Å; P1882-L1884 VanDerWaalsContact C-N 3.33Å; P1882-L1884 PolarHBondContact O-N 3.02Å; L1884-G1888 PolarHBondContact O-N 2.9Å; L1884-I1983 HydrophobicContact CD1-CG2 4.07Å; L1884-R1986 HydrophobicContact CD1-CB 4.09Å; L1884-R1986 HydrophobicContact CD2-CB 3.76Å; L1884-L1987 HydrophobicContact CG-CD1 4.14Å; L1884-A1990 HydrophobicContact CD2-CB 4.23Å |
| 1885 | A | 63.8 | Low | 61.4 | Low | 37 Ų | 37 | 34 Ų | 34 | 31% | 0.306 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62 | -44.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1881 P1882 L1887 G1888 A1889 | I1881-A1885 PolarHBondContact O-N 2.8Å; P1882-A1885 PolarHBondContact O-N 3.4Å; A1885-L1887 PolarHBondContact O-N 3.4Å; A1885-G1888 PolarHBondContact O-N 2.97Å; A1885-A1889 WeakPolarHBondContact O-CB 3.43Å; A1885-A1889 PolarHBondContact O-N 3.43Å |
| 1886 | A | 63.7 | Low | 62.7 | Low | 4 Ų | 4 | 34.5 Ų | 34.5 | 3% | 0.033 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.8 | -51.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1775 P1882 M1883 G1888 A1889 L1890 | F1775-A1886 VanDerWaalsContact CD1-CA 3.5Å; F1775-A1886 HydrophobicContact CD1-CB 3.29Å; F1775-A1886 HydrophobicContact CE1-CB 3.14Å; F1775-A1886 HydrophobicContact CE2-CB 4.44Å; F1775-A1886 HydrophobicContact CG-CB 4.1Å; F1775-A1886 HydrophobicContact CZ-CB 3.78Å; P1882-A1886 WeakPolarHBondContact O-CB 3.45Å; P1882-A1886 PolarHBondContact O-N 3.3Å; M1883-A1886 WeakPolarHBondContact O-CB 3.45Å; A1886-G1888 VanDerWaalsContact C-N 3.34Å; A1886-A1889 PolarHBondContact O-N 3.47Å; A1886-L1890 VanDerWaalsContact O-CB 3.29Å; A1886-L1890 WeakPolarHBondContact O-CB 3.32Å; A1886-L1890 PolarHBondContact O-N 2.83Å |
| 1887 | L | 70.1 | Confident | 63.8 | Low | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.5 | -31.8 | 179.1 | -67.6 | 168.4 | 0 | 0 | 0 | 111.9 | M1883 A1885 N1891 L1939 L1942 L1987 A1990 A1994 | M1883-L1887 HydrophobicContact CG-CD1 4.25Å; M1883-L1887 VanDerWaalsContact O-CG 3.32Å; M1883-L1887 WeakPolarHBondContact O-CG 3.15Å; M1883-L1887 PolarHBondContact O-N 3.31Å; A1885-L1887 PolarHBondContact O-N 3.4Å; L1887-N1891 WeakPolarHBondContact O-CB 3.43Å; L1887-N1891 PolarHBondContact O-N 3.39Å; L1887-N1891 VanDerWaalsContact O-N 3.09Å; L1887-N1891 PolarHBondContact O-ND2 2.76Å; L1887-L1939 HydrophobicContact CD2-CD2 3.47Å; L1887-L1939 VanDerWaalsContact CD2-CD2 3.47Å; L1887-L1942 HydrophobicContact CD1-CD1 4.32Å; L1887-L1987 HydrophobicContact CD1-CD1 3.86Å; L1887-A1990 HydrophobicContact CB-CB 3.65Å; L1887-A1990 HydrophobicContact CD1-CB 3.93Å; L1887-A1990 HydrophobicContact CG-CB 4.43Å; L1887-A1994 HydrophobicContact CD2-CB 4.24Å |
| 1888 | G | 70 | Confident | 64.8 | Low | 40 Ų | 40 | 30.3 Ų | 30.3 | 41% | 0.412 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.4 | -51.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1884 A1885 A1886 N1891 A1892 | L1884-G1888 PolarHBondContact O-N 2.9Å; A1885-G1888 PolarHBondContact O-N 2.97Å; A1886-G1888 VanDerWaalsContact C-N 3.34Å; G1888-N1891 PolarHBondContact O-N 2.96Å; G1888-A1892 PolarHBondContact O-N 3.26Å |
| 1889 | A | 64.9 | Low | 65.7 | Low | 5 Ų | 5 | 28.7 Ų | 28.7 | 4% | 0.041 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1778 A1885 A1886 N1891 A1892 L1893 | I1778-A1889 HydrophobicContact CB-CB 3.72Å; I1778-A1889 HydrophobicContact CD1-CB 3.99Å; I1778-A1889 HydrophobicContact CG1-CB 4.48Å; I1778-A1889 HydrophobicContact CG2-CB 3.75Å; A1885-A1889 WeakPolarHBondContact O-CB 3.43Å; A1885-A1889 PolarHBondContact O-N 3.43Å; A1886-A1889 PolarHBondContact O-N 3.47Å; A1889-N1891 VanDerWaalsContact C-N 3.28Å; A1889-N1891 PolarHBondContact O-N 3.49Å; A1889-A1892 PolarHBondContact O-N 2.81Å; A1889-L1893 VanDerWaalsContact O-CB 3.32Å; A1889-L1893 WeakPolarHBondContact O-CB 3.49Å; A1889-L1893 PolarHBondContact O-N 2.88Å |
| 1890 | L | 69.9 | Low | 66.2 | Low | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.4 | -39.1 | 174.3 | -178.9 | 64.6 | 0 | 0 | 0 | 111.9 | L1800 T1804 A1886 L1894 L1935 A1994 | L1800-L1890 HydrophobicContact CD1-CD1 4.42Å; T1804-L1890 HydrophobicContact CG2-CD1 4.31Å; A1886-L1890 VanDerWaalsContact O-CB 3.29Å; A1886-L1890 WeakPolarHBondContact O-CB 3.32Å; A1886-L1890 PolarHBondContact O-N 2.83Å; L1890-L1894 HydrophobicContact CD1-CD1 4.25Å; L1890-L1894 HydrophobicContact CD1-CG 4.42Å; L1890-L1894 HydrophobicContact CG-CD1 4.06Å; L1890-L1894 WeakPolarHBondContact O-CB 3.44Å; L1890-L1894 WeakPolarHBondContact O-CD1 3.28Å; L1890-L1894 WeakPolarHBondContact O-CG 3.37Å; L1890-L1894 PolarHBondContact O-N 3.34Å; L1890-L1935 HydrophobicContact CD1-CD2 4.38Å; L1890-L1935 HydrophobicContact CD2-CD1 4.27Å; L1890-L1935 HydrophobicContact CD2-CD2 4.22Å; L1890-A1994 HydrophobicContact CD2-CB 4.27Å |
| 1891 | N | 73.5 | Confident | 66.5 | Low | 17 Ų | 17 | 28.5 Ų | 28.5 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.7 | -41.4 | 175.8 | -83.8 | -61.6 | 0 | 0 | 0 | 112.8 | L1887 G1888 A1889 L1893 N1895 A1990 A1994 N1997 | L1887-N1891 WeakPolarHBondContact O-CB 3.43Å; L1887-N1891 PolarHBondContact O-N 3.39Å; L1887-N1891 VanDerWaalsContact O-N 3.09Å; L1887-N1891 PolarHBondContact O-ND2 2.76Å; G1888-N1891 PolarHBondContact O-N 2.96Å; A1889-N1891 VanDerWaalsContact C-N 3.28Å; A1889-N1891 PolarHBondContact O-N 3.49Å; N1891-L1893 VanDerWaalsContact C-N 3.35Å; N1891-N1895 VanDerWaalsContact O-CG 3.29Å; N1891-N1895 PolarHBondContact O-N 2.86Å; N1891-N1895 VanDerWaalsContact O-N 3.09Å; N1891-N1895 PolarHBondContact O-ND2 2.88Å; N1891-A1990 PolarHBondContact ND2-O 2.92Å; N1891-A1994 VanDerWaalsContact OD1-CA 3.23Å; N1891-A1994 WeakPolarHBondContact OD1-CA 3.44Å; N1891-A1994 PolarHBondContact OD1-N 3.3Å; N1891-N1997 PolarHBondContact OD1-ND2 3.17Å |
| 1892 | A | 68.1 | Low | 66.9 | Low | 45 Ų | 45 | 33.9 Ų | 33.9 | 37% | 0.372 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | F1782 G1888 A1889 N1895 Y1896 | F1782-A1892 HydrophobicContact CG-CB 4.49Å; G1888-A1892 PolarHBondContact O-N 3.26Å; A1889-A1892 PolarHBondContact O-N 2.81Å; A1892-N1895 PolarHBondContact O-N 3.46Å; A1892-Y1896 PolarHBondContact O-N 3.44Å |
| 1893 | L | 65.7 | Low | 67.2 | Low | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -49.7 | 176.4 | 172.5 | 44.2 | 0 | 0 | 0 | 112.9 | F1782 L1800 A1889 N1891 N1895 Y1896 V1897 | F1782-L1893 HydrophobicContact CD1-CB 4.49Å; F1782-L1893 HydrophobicContact CE1-CB 3.8Å; F1782-L1893 HydrophobicContact CE1-CD1 3.71Å; F1782-L1893 HydrophobicContact CE1-CG 4.17Å; F1782-L1893 HydrophobicContact CE2-CB 3.81Å; F1782-L1893 HydrophobicContact CE2-CD2 4.04Å; F1782-L1893 HydrophobicContact CE2-CG 4.36Å; F1782-L1893 HydrophobicContact CZ-CB 3.47Å; F1782-L1893 VanDerWaalsContact CZ-CB 3.47Å; F1782-L1893 HydrophobicContact CZ-CD1 3.55Å; F1782-L1893 HydrophobicContact CZ-CD2 3.64Å; F1782-L1893 HydrophobicContact CZ-CG 3.7Å; L1800-L1893 HydrophobicContact CB-CD1 4.27Å; L1800-L1893 HydrophobicContact CB-CD2 3.78Å; L1800-L1893 HydrophobicContact CB-CG 4.45Å; L1800-L1893 HydrophobicContact CD1-CD2 3.39Å; L1800-L1893 HydrophobicContact CD1-CG 3.94Å; L1800-L1893 HydrophobicContact CD2-CD1 4.48Å; L1800-L1893 HydrophobicContact CG-CD2 4.08Å; A1889-L1893 VanDerWaalsContact O-CB 3.32Å; A1889-L1893 WeakPolarHBondContact O-CB 3.49Å; A1889-L1893 PolarHBondContact O-N 2.88Å; N1891-L1893 VanDerWaalsContact C-N 3.35Å; L1893-N1895 VanDerWaalsContact C-N 3.28Å; L1893-N1895 PolarHBondContact O-N 2.91Å; L1893-Y1896 PolarHBondContact O-N 3.18Å; L1893-V1897 HydrophobicContact CD1-CG2 4.18Å; L1893-V1897 WeakPolarHBondContact O-CG2 3.29Å; L1893-V1897 PolarHBondContact O-N 3.36Å |
| 1894 | L | 69.6 | Low | 67.1 | Low | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -38.7 | 177.1 | -69.1 | 166.9 | 0 | 0 | 0 | 111.3 | L1890 V1897 A1898 N1997 L2001 Y2002 | L1890-L1894 HydrophobicContact CD1-CD1 4.25Å; L1890-L1894 HydrophobicContact CD1-CG 4.42Å; L1890-L1894 HydrophobicContact CG-CD1 4.06Å; L1890-L1894 WeakPolarHBondContact O-CB 3.44Å; L1890-L1894 WeakPolarHBondContact O-CD1 3.28Å; L1890-L1894 WeakPolarHBondContact O-CG 3.37Å; L1890-L1894 PolarHBondContact O-N 3.34Å; L1894-V1897 PolarHBondContact O-N 3.48Å; L1894-A1898 PolarHBondContact O-N 2.8Å; L1894-A1898 VanDerWaalsContact O-N 3.07Å; L1894-N1997 HydrophobicContact CB-CB 4Å; L1894-N1997 HydrophobicContact CD1-CB 3.84Å; L1894-L2001 HydrophobicContact CB-CD1 3.92Å; L1894-L2001 HydrophobicContact CD2-CD1 3.68Å; L1894-L2001 HydrophobicContact CG-CD1 4.4Å; L1894-L2001 WeakPolarHBondContact O-CD1 3.35Å; L1894-Y2002 HydrophobicContact CD2-CE2 3.99Å |
| 1895 | N | 71.4 | Confident | 66.9 | Low | 78 Ų | 78 | 43.2 Ų | 43.2 | 42% | 0.417 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 174.1 | -71.4 | -23.6 | 0 | 0 | 0 | 112.4 | N1891 A1892 L1893 V1897 A1898 D1899 | N1891-N1895 VanDerWaalsContact O-CG 3.29Å; N1891-N1895 PolarHBondContact O-N 2.86Å; N1891-N1895 VanDerWaalsContact O-N 3.09Å; N1891-N1895 PolarHBondContact O-ND2 2.88Å; A1892-N1895 PolarHBondContact O-N 3.46Å; L1893-N1895 VanDerWaalsContact C-N 3.28Å; L1893-N1895 PolarHBondContact O-N 2.91Å; N1895-V1897 PolarHBondContact O-N 3.25Å; N1895-A1898 WeakPolarHBondContact O-CB 3.2Å; N1895-A1898 PolarHBondContact O-N 2.84Å; N1895-A1898 VanDerWaalsContact O-N 3.12Å; N1895-D1899 PolarHBondContact O-N 2.83Å |
| 1896 | Y | 64.9 | Low | 67.1 | Low | 61 Ų | 61 | 44.3 Ų | 44.3 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -43 | 177.8 | -178.3 | -107.5 | 0 | 0 | 0 | 112.4 | L1793 K1796 A1892 L1893 A1898 D1899 V1900 | L1793-Y1896 HydrophobicContact CD1-CE1 3.87Å; L1793-Y1896 WeakPolarHBondContact CD1-OH 3.29Å; L1793-Y1896 HydrophobicContact CG-CE1 4.48Å; K1796-Y1896 HydrophobicContact CD-CE1 3.73Å; K1796-Y1896 PolarHBondContact NZ-OH 2.85Å; A1892-Y1896 PolarHBondContact O-N 3.44Å; L1893-Y1896 PolarHBondContact O-N 3.18Å; Y1896-A1898 VanDerWaalsContact C-N 3.32Å; Y1896-A1898 PolarHBondContact O-N 3.09Å; Y1896-D1899 PolarHBondContact O-N 2.83Å; Y1896-V1900 HydrophobicContact CD1-CG2 4.45Å; Y1896-V1900 HydrophobicContact CE1-CG2 4.12Å; Y1896-V1900 HydrophobicContact CE2-CG2 4.43Å; Y1896-V1900 WeakPolarHBondContact O-CG2 3.33Å; Y1896-V1900 PolarHBondContact O-N 3.35Å |
| 1897 | V | 65.9 | Low | 67 | Low | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.055 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 174.5 | 175.1 | 0 | 0 | 0 | 0 | 111 | L1797 L1893 L1894 N1895 D1899 V1900 V1901 L2001 | L1797-V1897 HydrophobicContact CD2-CG2 4.49Å; L1893-V1897 HydrophobicContact CD1-CG2 4.18Å; L1893-V1897 WeakPolarHBondContact O-CG2 3.29Å; L1893-V1897 PolarHBondContact O-N 3.36Å; L1894-V1897 PolarHBondContact O-N 3.48Å; N1895-V1897 PolarHBondContact O-N 3.25Å; V1897-D1899 VanDerWaalsContact C-N 3.34Å; V1897-D1899 PolarHBondContact O-N 3.36Å; V1897-V1900 PolarHBondContact O-N 3.08Å; V1897-V1901 VanDerWaalsContact O-CG2 3.29Å; V1897-V1901 WeakPolarHBondContact O-CG2 3.36Å; V1897-V1901 PolarHBondContact O-N 3.34Å; V1897-V1901 VanDerWaalsContact O-N 3.09Å; V1897-L2001 HydrophobicContact CG1-CD2 4.32Å |
| 1898 | A | 67.3 | Low | 66.4 | Low | 23 Ų | 23 | 53.7 Ų | 53.7 | 19% | 0.19 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -38.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L1894 N1895 Y1896 R1902 L2001 | L1894-A1898 PolarHBondContact O-N 2.8Å; L1894-A1898 VanDerWaalsContact O-N 3.07Å; N1895-A1898 WeakPolarHBondContact O-CB 3.2Å; N1895-A1898 PolarHBondContact O-N 2.84Å; N1895-A1898 VanDerWaalsContact O-N 3.12Å; Y1896-A1898 VanDerWaalsContact C-N 3.32Å; Y1896-A1898 PolarHBondContact O-N 3.09Å; A1898-R1902 VanDerWaalsContact O-CG 3.29Å; A1898-R1902 WeakPolarHBondContact O-CG 3.27Å; A1898-R1902 PolarHBondContact O-N 2.94Å; A1898-L2001 HydrophobicContact CB-CD2 4.03Å |
| 1899 | D | 68.9 | Low | 66.2 | Low | 83 Ų | 83 | 55.7 Ų | 55.7 | 44% | 0.444 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75 | -36.1 | 178.9 | -75.6 | -36.4 | 0 | 0 | 0 | 113.4 | N1895 Y1896 V1897 V1901 R1902 L1903 | N1895-D1899 PolarHBondContact O-N 2.83Å; Y1896-D1899 PolarHBondContact O-N 2.83Å; V1897-D1899 VanDerWaalsContact C-N 3.34Å; V1897-D1899 PolarHBondContact O-N 3.36Å; D1899-V1901 VanDerWaalsContact C-N 3.34Å; D1899-V1901 PolarHBondContact O-N 2.75Å; D1899-R1902 WeakPolarHBondContact O-CB 3.42Å; D1899-R1902 PolarHBondContact O-N 3.43Å; D1899-R1902 WeakPolarHBondContact OD1-CD 3.43Å; D1899-R1902 IonicContact OD1-CZ 2.64Å; D1899-R1902 IonicContact OD1-NE 3.63Å; D1899-R1902 IonicContact OD1-NH1 3.98Å; D1899-R1902 PolarHBondContact OD1-NH1 2.8Å; D1899-L1903 PolarHBondContact O-N 3.1Å |
| 1900 | V | 65.1 | Low | 66.2 | Low | 33 Ų | 33 | 58.8 Ų | 58.8 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.1 | -44 | 170.6 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | L1793 Y1896 V1897 R1902 L1903 A1904 I1925 | L1793-V1900 HydrophobicContact CD1-CG2 4.3Å; L1793-V1900 HydrophobicContact CD2-CG1 3.97Å; L1793-V1900 HydrophobicContact CD2-CG2 4.38Å; Y1896-V1900 HydrophobicContact CD1-CG2 4.45Å; Y1896-V1900 HydrophobicContact CE1-CG2 4.12Å; Y1896-V1900 HydrophobicContact CE2-CG2 4.43Å; Y1896-V1900 WeakPolarHBondContact O-CG2 3.33Å; Y1896-V1900 PolarHBondContact O-N 3.35Å; V1897-V1900 PolarHBondContact O-N 3.08Å; V1900-R1902 PolarHBondContact O-N 3.43Å; V1900-L1903 PolarHBondContact O-N 2.98Å; V1900-A1904 PolarHBondContact O-N 2.86Å; V1900-I1925 HydrophobicContact CG1-CG2 4.5Å |
| 1901 | V | 65.1 | Low | 65.4 | Low | 35 Ų | 35 | 66 Ų | 66 | 21% | 0.212 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 177 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | V1897 D1899 L1903 A1904 L1905 L1926 | V1897-V1901 VanDerWaalsContact O-CG2 3.29Å; V1897-V1901 WeakPolarHBondContact O-CG2 3.36Å; V1897-V1901 PolarHBondContact O-N 3.34Å; V1897-V1901 VanDerWaalsContact O-N 3.09Å; D1899-V1901 VanDerWaalsContact C-N 3.34Å; D1899-V1901 PolarHBondContact O-N 2.75Å; V1901-L1903 VanDerWaalsContact C-N 3.35Å; V1901-L1903 PolarHBondContact O-N 3.36Å; V1901-A1904 PolarHBondContact O-N 2.9Å; V1901-L1905 HydrophobicContact CG1-CD1 3.98Å; V1901-L1905 HydrophobicContact CG1-CG 4.49Å; V1901-L1905 WeakPolarHBondContact O-CB 3.42Å; V1901-L1905 VanDerWaalsContact O-CG 3.29Å; V1901-L1905 WeakPolarHBondContact O-CG 3.21Å; V1901-L1905 PolarHBondContact O-N 2.88Å; V1901-L1926 HydrophobicContact CG2-CD1 4.08Å; V1901-L1926 HydrophobicContact CG2-CD2 3.89Å; V1901-L1926 HydrophobicContact CG2-CG 4.07Å |
| 1902 | R | 68.3 | Low | 64.6 | Low | 163 Ų | 163 | 67.7 Ų | 67.7 | 62% | 0.615 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59.3 | -43.8 | 172.2 | -75.4 | 165 | 178 | 162.9 | 0.6 | 111.9 | A1898 D1899 V1900 L1905 A1906 | A1898-R1902 VanDerWaalsContact O-CG 3.29Å; A1898-R1902 WeakPolarHBondContact O-CG 3.27Å; A1898-R1902 PolarHBondContact O-N 2.94Å; D1899-R1902 WeakPolarHBondContact O-CB 3.42Å; D1899-R1902 PolarHBondContact O-N 3.43Å; D1899-R1902 WeakPolarHBondContact OD1-CD 3.43Å; D1899-R1902 IonicContact OD1-CZ 2.64Å; D1899-R1902 IonicContact OD1-NE 3.63Å; D1899-R1902 IonicContact OD1-NH1 3.98Å; D1899-R1902 PolarHBondContact OD1-NH1 2.8Å; V1900-R1902 PolarHBondContact O-N 3.43Å; R1902-L1905 PolarHBondContact O-N 2.89Å; R1902-A1906 WeakPolarHBondContact O-CB 3.48Å; R1902-A1906 PolarHBondContact O-N 3.22Å |
| 1903 | L | 63.7 | Low | 64.1 | Low | 134 Ų | 134 | 71.3 Ų | 71.3 | 70% | 0.702 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | -178.5 | -145 | 79.6 | 0 | 0 | 0 | 112.1 | D1899 V1900 V1901 A1906 S1907 | D1899-L1903 PolarHBondContact O-N 3.1Å; V1900-L1903 PolarHBondContact O-N 2.98Å; V1901-L1903 VanDerWaalsContact C-N 3.35Å; V1901-L1903 PolarHBondContact O-N 3.36Å; L1903-A1906 PolarHBondContact O-N 3.32Å; L1903-S1907 PolarHBondContact O-N 2.94Å |
| 1904 | A | 61.4 | Low | 63.7 | Low | 20 Ų | 20 | 76.1 Ų | 76.1 | 17% | 0.165 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69 | -36 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1900 V1901 A1906 S1907 R1908 A1922 | V1900-A1904 PolarHBondContact O-N 2.86Å; V1901-A1904 PolarHBondContact O-N 2.9Å; A1904-A1906 VanDerWaalsContact C-N 3.31Å; A1904-S1907 PolarHBondContact O-OG 2.92Å; A1904-S1907 VanDerWaalsContact O-OG 3.08Å; A1904-R1908 WeakPolarHBondContact O-CB 3.44Å; A1904-R1908 PolarHBondContact O-N 2.83Å; A1904-R1908 VanDerWaalsContact O-N 3.1Å; A1904-A1922 HydrophobicContact CB-CB 3.4Å; A1904-A1922 VanDerWaalsContact CB-CB 3.4Å |
| 1905 | L | 64.2 | Low | 63.1 | Low | 109 Ų | 109 | 76.5 Ų | 76.5 | 57% | 0.571 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -67.5 | -33.6 | 172.1 | -70.8 | 170.8 | 0 | 0 | 0 | 111.7 | V1901 R1902 A1909 | V1901-L1905 HydrophobicContact CG1-CD1 3.98Å; V1901-L1905 HydrophobicContact CG1-CG 4.49Å; V1901-L1905 WeakPolarHBondContact O-CB 3.42Å; V1901-L1905 VanDerWaalsContact O-CG 3.29Å; V1901-L1905 WeakPolarHBondContact O-CG 3.21Å; V1901-L1905 PolarHBondContact O-N 2.88Å; R1902-L1905 PolarHBondContact O-N 2.89Å; L1905-A1909 PolarHBondContact O-N 3.08Å |
| 1906 | A | 67.8 | Low | 62.5 | Low | 59 Ų | 59 | 80.8 Ų | 80.8 | 49% | 0.488 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.3 | -41.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1902 L1903 A1904 R1908 A1909 A1910 | R1902-A1906 WeakPolarHBondContact O-CB 3.48Å; R1902-A1906 PolarHBondContact O-N 3.22Å; L1903-A1906 PolarHBondContact O-N 3.32Å; A1904-A1906 VanDerWaalsContact C-N 3.31Å; A1906-R1908 VanDerWaalsContact C-N 3.33Å; A1906-R1908 PolarHBondContact O-N 2.72Å; A1906-A1909 PolarHBondContact O-N 3.12Å; A1906-A1910 PolarHBondContact O-N 2.98Å |
| 1907 | S | 60.3 | Low | 62.3 | Low | 34 Ų | 34 | 83.5 Ų | 83.5 | 24% | 0.238 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 175.1 | 70.8 | 0 | 0 | 0 | 0 | 111.9 | L1903 A1904 A1909 A1910 T1918 | L1903-S1907 PolarHBondContact O-N 2.94Å; A1904-S1907 PolarHBondContact O-OG 2.92Å; A1904-S1907 VanDerWaalsContact O-OG 3.08Å; S1907-A1909 PolarHBondContact O-N 3.36Å; S1907-A1910 WeakPolarHBondContact O-CB 3.3Å; S1907-A1910 PolarHBondContact O-N 2.75Å; S1907-T1918 PolarHBondContact OG-OG1 2.87Å; S1907-T1918 VanDerWaalsContact OG-OG1 3.13Å |
| 1908 | R | 58.3 | Low | 61.8 | Low | 173 Ų | 173 | 85.9 Ų | 85.9 | 65% | 0.653 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.3 | -27.4 | 173.7 | -174.6 | 172.4 | 177.7 | 161.4 | -0.5 | 113.4 | A1904 A1906 A1910 | A1904-R1908 WeakPolarHBondContact O-CB 3.44Å; A1904-R1908 PolarHBondContact O-N 2.83Å; A1904-R1908 VanDerWaalsContact O-N 3.1Å; A1906-R1908 VanDerWaalsContact C-N 3.33Å; A1906-R1908 PolarHBondContact O-N 2.72Å; R1908-A1910 VanDerWaalsContact C-N 3.33Å |
| 1909 | A | 66.7 | Low | 61.4 | Low | 83 Ų | 83 | 86 Ų | 86 | 69% | 0.686 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -10.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1905 A1906 S1907 | L1905-A1909 PolarHBondContact O-N 3.08Å; A1906-A1909 PolarHBondContact O-N 3.12Å; S1907-A1909 PolarHBondContact O-N 3.36Å |
| 1910 | A | 63.9 | Low | 61.2 | Low | 70 Ų | 70 | 85.7 Ų | 85.7 | 58% | 0.579 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 0 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1906 S1907 R1908 S1912 | A1906-A1910 PolarHBondContact O-N 2.98Å; S1907-A1910 WeakPolarHBondContact O-CB 3.3Å; S1907-A1910 PolarHBondContact O-N 2.75Å; R1908-A1910 VanDerWaalsContact C-N 3.33Å; A1910-S1912 PolarHBondContact O-N 2.93Å |
| 1911 | N | 53.7 | Low | 60.8 | Low | 153 Ų | 153 | 86 Ų | 86 | 82% | 0.818 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 28.5 | 175.1 | -73.1 | -17.7 | 0 | 0 | 0 | 116.3 | ||
| 1912 | S | 56.1 | Low | 60.4 | Low | 53 Ų | 53 | 85.1 Ų | 85.1 | 37% | 0.371 | 48% | 0.484 | S | S | . | . | trans | -72.9 | 154.8 | 174.9 | 88.8 | 0 | 0 | 0 | 0 | 111.7 | A1910 D1914 A1915 | A1910-S1912 PolarHBondContact O-N 2.93Å; S1912-D1914 PolarHBondContact O-N 2.83Å; S1912-A1915 WeakPolarHBondContact O-CB 3.23Å; S1912-A1915 PolarHBondContact O-N 2.99Å; S1912-A1915 VanDerWaalsContact O-N 3.1Å; S1912-A1915 PolarHBondContact OG-N 2.83Å | ||
| 1913 | P | 58.3 | Low | 60 | Low | 120 Ų | 120 | 83.3 Ų | 83.3 | 78% | 0.779 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -31 | 177.5 | 24.6 | -34.1 | 0 | 0 | 0 | 113 | A1915 | P1913-A1915 VanDerWaalsContact C-N 3.32Š|
| 1914 | D | 57.4 | Low | 59.7 | Low | 103 Ų | 103 | 83 Ų | 83 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -15.2 | 177.1 | -58.1 | -60.1 | 0 | 0 | 0 | 113.6 | S1912 K1916 N1917 T1918 | S1912-D1914 PolarHBondContact O-N 2.83Å; D1914-K1916 PolarHBondContact O-N 2.98Å; D1914-N1917 PolarHBondContact O-N 3.43Å; D1914-T1918 PolarHBondContact O-N 2.9Å; D1914-T1918 VanDerWaalsContact O-N 3.09Å |
| 1915 | A | 56.5 | Low | 59.4 | Low | 11 Ų | 11 | 83.7 Ų | 83.7 | 9% | 0.091 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -55.1 | -34.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1912 P1913 T1918 A1919 | S1912-A1915 WeakPolarHBondContact O-CB 3.23Å; S1912-A1915 PolarHBondContact O-N 2.99Å; S1912-A1915 VanDerWaalsContact O-N 3.1Å; S1912-A1915 PolarHBondContact OG-N 2.83Å; P1913-A1915 VanDerWaalsContact C-N 3.32Å; A1915-T1918 WeakPolarHBondContact CA-OG1 3.43Å; A1915-T1918 PolarHBondContact O-N 2.82Å; A1915-T1918 PolarHBondContact O-OG1 3.07Å; A1915-A1919 WeakPolarHBondContact O-CB 3.44Å; A1915-A1919 PolarHBondContact O-N 2.99Å |
| 1916 | K | 59.2 | Low | 59.1 | Low | 168 Ų | 168 | 81.9 Ų | 81.9 | 73% | 0.73 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | 178.8 | -150.3 | 177.7 | -172.7 | -176.3 | 0 | 112.4 | D1914 A1919 V1920 | D1914-K1916 PolarHBondContact O-N 2.98Å; K1916-A1919 PolarHBondContact O-N 2.91Å; K1916-V1920 WeakPolarHBondContact O-CG2 3.16Å; K1916-V1920 PolarHBondContact O-N 3.39Å |
| 1917 | N | 60.2 | Low | 58.8 | Low | 117 Ų | 117 | 83.5 Ų | 83.5 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.1 | -39.6 | 177.7 | -63.9 | -9.8 | 0 | 0 | 0 | 110.7 | D1914 A1919 V1920 A1921 | D1914-N1917 PolarHBondContact O-N 3.43Å; N1917-A1919 VanDerWaalsContact C-N 3.29Å; N1917-A1919 PolarHBondContact O-N 3.29Å; N1917-V1920 PolarHBondContact O-N 2.9Å; N1917-A1921 PolarHBondContact O-N 2.8Å; N1917-A1921 VanDerWaalsContact O-N 3.09Å |
| 1918 | T | 55.2 | Low | 58.6 | Low | 60 Ų | 60 | 84.4 Ų | 84.4 | 37% | 0.368 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.8 | -30.8 | 175 | 66 | 0 | 0 | 0 | 0 | 113.1 | S1907 D1914 A1915 A1922 | S1907-T1918 PolarHBondContact OG-OG1 2.87Å; S1907-T1918 VanDerWaalsContact OG-OG1 3.13Å; D1914-T1918 PolarHBondContact O-N 2.9Å; D1914-T1918 VanDerWaalsContact O-N 3.09Å; A1915-T1918 WeakPolarHBondContact CA-OG1 3.43Å; A1915-T1918 PolarHBondContact O-N 2.82Å; A1915-T1918 PolarHBondContact O-OG1 3.07Å; T1918-A1922 WeakPolarHBondContact O-CB 3.32Å; T1918-A1922 PolarHBondContact O-N 2.37Å |
| 1919 | A | 59.9 | Low | 58.4 | Low | 26 Ų | 26 | 76.2 Ų | 76.2 | 22% | 0.215 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -72.3 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1915 K1916 N1917 A1922 E1923 | A1915-A1919 WeakPolarHBondContact O-CB 3.44Å; A1915-A1919 PolarHBondContact O-N 2.99Å; K1916-A1919 PolarHBondContact O-N 2.91Å; N1917-A1919 VanDerWaalsContact C-N 3.29Å; N1917-A1919 PolarHBondContact O-N 3.29Å; A1919-A1922 PolarHBondContact O-N 2.88Å; A1919-E1923 PolarHBondContact O-N 3.25Å |
| 1920 | V | 64.4 | Low | 58 | Low | 75 Ų | 75 | 79.8 Ų | 79.8 | 46% | 0.455 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 174.7 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | K1916 N1917 A1922 E1923 E1924 | K1916-V1920 WeakPolarHBondContact O-CG2 3.16Å; K1916-V1920 PolarHBondContact O-N 3.39Å; N1917-V1920 PolarHBondContact O-N 2.9Å; V1920-A1922 VanDerWaalsContact C-N 3.3Å; V1920-A1922 PolarHBondContact O-N 3.39Å; V1920-E1923 PolarHBondContact O-N 3.31Å; V1920-E1924 HydrophobicContact CG1-CG 4.43Å; V1920-E1924 WeakPolarHBondContact O-CG 3.39Å; V1920-E1924 PolarHBondContact O-N 3.2Å |
| 1921 | A | 56.9 | Low | 57.9 | Low | 40 Ų | 40 | 76.6 Ų | 76.6 | 33% | 0.331 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | N1917 E1923 E1924 I1925 | N1917-A1921 PolarHBondContact O-N 2.8Å; N1917-A1921 VanDerWaalsContact O-N 3.09Å; A1921-E1923 VanDerWaalsContact C-N 3.3Å; A1921-E1923 PolarHBondContact O-N 3.43Å; A1921-E1924 PolarHBondContact O-N 2.6Å; A1921-I1925 VanDerWaalsContact O-CB 3.25Å; A1921-I1925 WeakPolarHBondContact O-CB 3.27Å; A1921-I1925 VanDerWaalsContact O-CD1 3.27Å; A1921-I1925 WeakPolarHBondContact O-CD1 3.21Å; A1921-I1925 WeakPolarHBondContact O-CG1 3.44Å; A1921-I1925 PolarHBondContact O-N 2.22Å |
| 1922 | A | 55.9 | Low | 58.5 | Low | 16 Ų | 16 | 73.3 Ų | 73.3 | 13% | 0.132 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.7 | -29.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1904 T1918 A1919 V1920 L1926 | A1904-A1922 HydrophobicContact CB-CB 3.4Å; A1904-A1922 VanDerWaalsContact CB-CB 3.4Å; T1918-A1922 WeakPolarHBondContact O-CB 3.32Å; T1918-A1922 PolarHBondContact O-N 2.37Å; A1919-A1922 PolarHBondContact O-N 2.88Å; V1920-A1922 VanDerWaalsContact C-N 3.3Å; V1920-A1922 PolarHBondContact O-N 3.39Å; A1922-L1926 PolarHBondContact O-N 3.03Å; A1922-L1926 VanDerWaalsContact O-N 3.09Å |
| 1923 | E | 59.8 | Low | 58.7 | Low | 125 Ų | 125 | 73.1 Ų | 73.1 | 58% | 0.584 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -78 | -41.3 | 176.5 | -168.2 | 158.1 | -145.3 | 0 | 0 | 111.4 | A1919 V1920 A1921 I1925 L1926 I1927 | A1919-E1923 PolarHBondContact O-N 3.25Å; V1920-E1923 PolarHBondContact O-N 3.31Å; A1921-E1923 VanDerWaalsContact C-N 3.3Å; A1921-E1923 PolarHBondContact O-N 3.43Å; E1923-I1925 VanDerWaalsContact C-N 3.33Å; E1923-I1925 PolarHBondContact O-N 3Å; E1923-L1926 PolarHBondContact O-N 3.18Å; E1923-I1927 HydrophobicContact CG-CD1 4.31Å; E1923-I1927 VanDerWaalsContact O-CG1 3.29Å; E1923-I1927 WeakPolarHBondContact O-CG1 3.45Å; E1923-I1927 PolarHBondContact O-N 3.46Å |
| 1924 | E | 57.3 | Low | 59.1 | Low | 128 Ų | 128 | 73 Ų | 73 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.3 | -42.1 | 169.9 | -68.8 | 176.3 | 159.7 | 0 | 0 | 111.6 | V1920 A1921 I1927 A1928 | V1920-E1924 HydrophobicContact CG1-CG 4.43Å; V1920-E1924 WeakPolarHBondContact O-CG 3.39Å; V1920-E1924 PolarHBondContact O-N 3.2Å; A1921-E1924 PolarHBondContact O-N 2.6Å; E1924-I1927 PolarHBondContact O-N 2.79Å; E1924-A1928 WeakPolarHBondContact O-CB 3.33Å; E1924-A1928 PolarHBondContact O-N 3.06Å |
| 1925 | I | 55.7 | Low | 59.7 | Low | 34 Ų | 34 | 68.2 Ų | 68.2 | 17% | 0.174 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.5 | -48.9 | 171.3 | -81.7 | 160.5 | 0 | 0 | 0 | 111.3 | L1793 L1797 V1900 A1921 E1923 I1927 A1928 A1929 | L1793-I1925 HydrophobicContact CB-CD1 4.46Å; L1793-I1925 HydrophobicContact CD2-CB 4.28Å; L1793-I1925 HydrophobicContact CD2-CD1 3.56Å; L1793-I1925 HydrophobicContact CD2-CG1 3.72Å; L1793-I1925 HydrophobicContact CD2-CG2 3.58Å; L1797-I1925 HydrophobicContact CD1-CB 4.34Å; L1797-I1925 HydrophobicContact CD1-CG1 4.38Å; L1797-I1925 HydrophobicContact CD1-CG2 4.17Å; L1797-I1925 WeakPolarHBondContact CD1-O 2.83Å; V1900-I1925 HydrophobicContact CG1-CG2 4.5Å; A1921-I1925 VanDerWaalsContact O-CB 3.25Å; A1921-I1925 WeakPolarHBondContact O-CB 3.27Å; A1921-I1925 VanDerWaalsContact O-CD1 3.27Å; A1921-I1925 WeakPolarHBondContact O-CD1 3.21Å; A1921-I1925 WeakPolarHBondContact O-CG1 3.44Å; A1921-I1925 PolarHBondContact O-N 2.22Å; E1923-I1925 VanDerWaalsContact C-N 3.33Å; E1923-I1925 PolarHBondContact O-N 3Å; I1925-I1927 VanDerWaalsContact C-N 3.34Å; I1925-I1927 PolarHBondContact O-N 3.42Å; I1925-A1928 PolarHBondContact O-N 3.48Å; I1925-A1929 VanDerWaalsContact O-CB 3.29Å; I1925-A1929 WeakPolarHBondContact O-CB 3.39Å; I1925-A1929 PolarHBondContact O-N 2.66Å; I1925-A1929 VanDerWaalsContact O-N 3.12Å |
| 1926 | L | 58 | Low | 60.2 | Low | 71 Ų | 71 | 67.7 Ų | 67.7 | 37% | 0.372 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.9 | -34.5 | 178.2 | -87.5 | 165.4 | 0 | 0 | 0 | 112.9 | V1901 A1922 E1923 A1929 | V1901-L1926 HydrophobicContact CG2-CD1 4.08Å; V1901-L1926 HydrophobicContact CG2-CD2 3.89Å; V1901-L1926 HydrophobicContact CG2-CG 4.07Å; A1922-L1926 PolarHBondContact O-N 3.03Å; A1922-L1926 VanDerWaalsContact O-N 3.09Å; E1923-L1926 PolarHBondContact O-N 3.18Å; L1926-A1929 PolarHBondContact O-N 3.29Å |
| 1927 | I | 60.8 | Low | 60.6 | Low | 94 Ų | 94 | 60.1 Ų | 60.1 | 48% | 0.482 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.3 | -36.8 | 177.5 | -68.7 | 164.8 | 0 | 0 | 0 | 111.2 | E1923 E1924 I1925 A1929 R1930 | E1923-I1927 HydrophobicContact CG-CD1 4.31Å; E1923-I1927 VanDerWaalsContact O-CG1 3.29Å; E1923-I1927 WeakPolarHBondContact O-CG1 3.45Å; E1923-I1927 PolarHBondContact O-N 3.46Å; E1924-I1927 PolarHBondContact O-N 2.79Å; I1925-I1927 VanDerWaalsContact C-N 3.34Å; I1925-I1927 PolarHBondContact O-N 3.42Å; I1927-A1929 VanDerWaalsContact C-N 3.32Å; I1927-R1930 WeakPolarHBondContact O-CD 3.21Å; I1927-R1930 WeakPolarHBondContact O-CG 3.37Å |
| 1928 | A | 56.3 | Low | 61.1 | Low | 52 Ų | 52 | 55.1 Ų | 55.1 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -74.4 | -16.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | L1797 E1924 I1925 | L1797-A1928 HydrophobicContact CD1-CB 4.01Å; E1924-A1928 WeakPolarHBondContact O-CB 3.33Å; E1924-A1928 PolarHBondContact O-N 3.06Å; I1925-A1928 PolarHBondContact O-N 3.48Å |
| 1929 | A | 54.8 | Low | 62 | Low | 2 Ų | 2 | 52.3 Ų | 52.3 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 6.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | L1797 L1800 I1925 L1926 I1927 P1931 Y2002 | L1797-A1929 HydrophobicContact CD1-CB 4.46Å; L1797-A1929 HydrophobicContact CD2-CB 3.58Å; L1800-A1929 HydrophobicContact CD2-CB 4.47Å; L1800-A1929 WeakPolarHBondContact CD2-O 3.4Å; I1925-A1929 VanDerWaalsContact O-CB 3.29Å; I1925-A1929 WeakPolarHBondContact O-CB 3.39Å; I1925-A1929 PolarHBondContact O-N 2.66Å; I1925-A1929 VanDerWaalsContact O-N 3.12Å; L1926-A1929 PolarHBondContact O-N 3.29Å; I1927-A1929 VanDerWaalsContact C-N 3.32Å; A1929-P1931 VanDerWaalsContact O-CD 3.24Å; A1929-P1931 WeakPolarHBondContact O-CD 3.35Å; A1929-Y2002 PolarHBondContact O-OH 3.39Å |
| 1930 | R | 58.5 | Low | 62.5 | Low | 157 Ų | 157 | 51.1 Ų | 51.1 | 59% | 0.592 | 27% | 0.266 | S | S | * | . | trans | -67.9 | 113.7 | -163.5 | -68.7 | 173.1 | -179.4 | -166.2 | -1.5 | 113.6 | I1927 | I1927-R1930 WeakPolarHBondContact O-CD 3.21Å; I1927-R1930 WeakPolarHBondContact O-CG 3.37Å | ||
| 1931 | P | 61.8 | Low | 62.7 | Low | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | trans | -76.8 | 154.3 | 177.2 | 33.4 | -36.3 | 0 | 0 | 0 | 112.2 | T1804 A1929 L1935 Y1998 Y2002 | T1804-P1931 HydrophobicContact CG2-CB 4.23Å; A1929-P1931 VanDerWaalsContact O-CD 3.24Å; A1929-P1931 WeakPolarHBondContact O-CD 3.35Å; P1931-L1935 HydrophobicContact CB-CD2 4.45Å; P1931-Y1998 HydrophobicContact CB-CE2 4.28Å; P1931-Y1998 HydrophobicContact CG-CD2 4.36Å; P1931-Y1998 HydrophobicContact CG-CE2 3.75Å; P1931-Y2002 VanDerWaalsContact CD-CZ 3.45Å; P1931-Y2002 HydrophobicContact CG-CD1 4.45Å; P1931-Y2002 HydrophobicContact CG-CD2 3.89Å; P1931-Y2002 HydrophobicContact CG-CE1 4.21Å; P1931-Y2002 HydrophobicContact CG-CE2 3.62Å; P1931-Y2002 HydrophobicContact CG-CG 4.3Å | ||
| 1932 | H | 64.9 | Low | 63.4 | Low | 83 Ų | 83 | 47 Ų | 47 | 38% | 0.384 | 23% | 0.234 | S | C | . | . | trans | -72.9 | 131 | -175.5 | -172.1 | -95 | 0 | 0 | 0 | 113.1 | L1808 K1934 L1935 | L1808-H1932 HydrophobicContact CD1-CB 3.88Å; L1808-H1932 WeakPolarHBondContact CD1-ND1 3.11Å; H1932-K1934 VanDerWaalsContact C-N 3.31Å; H1932-K1934 PolarHBondContact O-N 3.44Å; H1932-K1934 VanDerWaalsContact O-N 3.12Å; H1932-L1935 VanDerWaalsContact O-CB 3.22Å; H1932-L1935 WeakPolarHBondContact O-CB 3.17Å; H1932-L1935 PolarHBondContact O-N 3.34Å | ||
| 1933 | P | 61.6 | Low | 64.2 | Low | 50 Ų | 50 | 46.3 Ų | 46.3 | 33% | 0.325 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.8 | -168.2 | 20.6 | -33.4 | 0 | 0 | 0 | 115.6 | L1935 Y2006 S2009 | P1933-L1935 PolarHBondContact O-N 2.92Å; P1933-L1935 VanDerWaalsContact O-N 3.13Å; P1933-Y2006 HydrophobicContact CB-CD1 4.38Å; P1933-S2009 WeakPolarHBondContact CB-OG 3.11Å; P1933-S2009 VanDerWaalsContact O-CB 3.24Å; P1933-S2009 WeakPolarHBondContact O-CB 3.42Å |
| 1934 | K | 65.4 | Low | 64.5 | Low | 117 Ų | 117 | 40.7 Ų | 40.7 | 51% | 0.509 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.9 | -21.5 | 175.8 | -71 | -174.9 | -177.4 | -175.2 | 0 | 113.1 | L1808 H1932 A1936 G1937 L1938 | L1808-K1934 HydrophobicContact CD1-CB 4.19Å; L1808-K1934 HydrophobicContact CD2-CB 3.54Å; H1932-K1934 VanDerWaalsContact C-N 3.31Å; H1932-K1934 PolarHBondContact O-N 3.44Å; H1932-K1934 VanDerWaalsContact O-N 3.12Å; K1934-A1936 VanDerWaalsContact C-N 3.31Å; K1934-A1936 PolarHBondContact O-N 2.69Å; K1934-G1937 PolarHBondContact O-N 3.36Å; K1934-G1937 VanDerWaalsContact O-N 3.16Å; K1934-L1938 PolarHBondContact O-N 3.48Å; K1934-L1938 VanDerWaalsContact O-N 3.15Å |
| 1935 | L | 70.1 | Confident | 64.8 | Low | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -39.4 | -175.7 | -175.3 | 66.3 | 0 | 0 | 0 | 112.9 | T1804 C1807 L1890 P1931 H1932 P1933 G1937 L1938 L1939 Y1998 | T1804-L1935 HydrophobicContact CG2-CD2 3.88Å; C1807-L1935 HydrophobicContact CB-CD1 4.19Å; L1890-L1935 HydrophobicContact CD1-CD2 4.38Å; L1890-L1935 HydrophobicContact CD2-CD1 4.27Å; L1890-L1935 HydrophobicContact CD2-CD2 4.22Å; P1931-L1935 HydrophobicContact CB-CD2 4.45Å; H1932-L1935 VanDerWaalsContact O-CB 3.22Å; H1932-L1935 WeakPolarHBondContact O-CB 3.17Å; H1932-L1935 PolarHBondContact O-N 3.34Å; P1933-L1935 PolarHBondContact O-N 2.92Å; P1933-L1935 VanDerWaalsContact O-N 3.13Å; L1935-G1937 PolarHBondContact O-N 3.34Å; L1935-L1938 PolarHBondContact O-N 2.09Å; L1935-L1939 HydrophobicContact CG-CD1 4.41Å; L1935-L1939 WeakPolarHBondContact O-CG 3.37Å; L1935-L1939 PolarHBondContact O-N 3Å; L1935-Y1998 HydrophobicContact CD2-CD2 4.19Å; L1935-Y1998 HydrophobicContact CD2-CE2 4.2Å |
| 1936 | A | 68 | Low | 65.2 | Low | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1934 L1938 L1939 A1940 Y1998 A2010 | K1934-A1936 VanDerWaalsContact C-N 3.31Å; K1934-A1936 PolarHBondContact O-N 2.69Å; A1936-L1938 VanDerWaalsContact C-N 3.35Å; A1936-L1939 PolarHBondContact O-N 3.47Å; A1936-A1940 PolarHBondContact O-N 2.82Å; A1936-Y1998 HydrophobicContact CB-CD1 4.32Å; A1936-Y1998 HydrophobicContact CB-CE1 3.82Å; A1936-A2010 HydrophobicContact CB-CB 3.78Å |
| 1937 | G | 67.4 | Low | 65 | Low | 8 Ų | 8 | 40 Ų | 40 | 8% | 0.082 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1934 L1935 R1941 | K1934-G1937 PolarHBondContact O-N 3.36Å; K1934-G1937 VanDerWaalsContact O-N 3.16Å; L1935-G1937 PolarHBondContact O-N 3.34Å; G1937-R1941 WeakPolarHBondContact O-CG 3.46Å; G1937-R1941 PolarHBondContact O-N 2.98Å |
| 1938 | L | 70.8 | Confident | 64.5 | Low | 13 Ų | 13 | 36.9 Ų | 36.9 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -48.6 | 174.6 | -175.7 | 69.4 | 0 | 0 | 0 | 111.8 | C1807 M1883 K1934 L1935 A1936 A1940 R1941 L1942 | C1807-L1938 WeakPolarHBondContact O-CD2 3.13Å; M1883-L1938 HydrophobicContact CE-CD2 4.49Å; K1934-L1938 PolarHBondContact O-N 3.48Å; K1934-L1938 VanDerWaalsContact O-N 3.15Å; L1935-L1938 PolarHBondContact O-N 2.09Å; A1936-L1938 VanDerWaalsContact C-N 3.35Å; L1938-A1940 PolarHBondContact O-N 3.47Å; L1938-R1941 WeakPolarHBondContact O-CB 3.38Å; L1938-R1941 PolarHBondContact O-N 2.69Å; L1938-L1942 HydrophobicContact CG-CD1 4.44Å; L1938-L1942 PolarHBondContact O-N 2.59Å; L1938-L1942 VanDerWaalsContact O-N 3.13Å |
| 1939 | L | 74.4 | Confident | 64 | Low | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.8 | -36 | 178.6 | -69.9 | 171.3 | 0 | 0 | 0 | 112.3 | L1887 L1935 A1936 I1943 A1994 L1995 | L1887-L1939 HydrophobicContact CD2-CD2 3.47Å; L1887-L1939 VanDerWaalsContact CD2-CD2 3.47Å; L1935-L1939 HydrophobicContact CG-CD1 4.41Å; L1935-L1939 WeakPolarHBondContact O-CG 3.37Å; L1935-L1939 PolarHBondContact O-N 3Å; A1936-L1939 PolarHBondContact O-N 3.47Å; L1939-I1943 WeakPolarHBondContact O-CG1 3.27Å; L1939-A1994 HydrophobicContact CD1-CB 4Å; L1939-A1994 HydrophobicContact CD2-CB 3.74Å; L1939-L1995 HydrophobicContact CB-CB 4.4Å; L1939-L1995 HydrophobicContact CB-CD1 4.25Å; L1939-L1995 HydrophobicContact CD1-CB 4.37Å; L1939-L1995 HydrophobicContact CD1-CD1 4.41Å |
| 1940 | A | 70.3 | Confident | 63.4 | Low | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.6 | -38.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1936 L1938 I1943 P2018 L2019 | A1936-A1940 PolarHBondContact O-N 2.82Å; L1938-A1940 PolarHBondContact O-N 3.47Å; A1940-I1943 PolarHBondContact O-N 3.41Å; A1940-P2018 WeakPolarHBondContact O-CB 3.37Å; A1940-L2019 HydrophobicContact CB-CD1 4.02Å; A1940-L2019 HydrophobicContact CB-CG 4.22Å |
| 1941 | R | 68.4 | Low | 62.1 | Low | 26 Ų | 26 | 43.9 Ų | 43.9 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 176.3 | -72.7 | 173.6 | -171 | 170.7 | 12.9 | 112.3 | V1815 E1817 G1937 L1938 I1943 G1944 S2014 P2018 | V1815-R1941 HydrophobicContact CB-CB 4.48Å; V1815-R1941 HydrophobicContact CG1-CB 4.21Å; V1815-R1941 HydrophobicContact CG1-CG 4.28Å; V1815-R1941 HydrophobicContact CG2-CB 4.36Å; E1817-R1941 IonicContact OE1-CZ 2.7Å; E1817-R1941 IonicContact OE1-NH1 3.8Å; E1817-R1941 PolarHBondContact OE1-NH1 3.35Å; E1817-R1941 IonicContact OE1-NH2 3.73Å; E1817-R1941 PolarHBondContact OE1-NH2 3.11Å; G1937-R1941 WeakPolarHBondContact O-CG 3.46Å; G1937-R1941 PolarHBondContact O-N 2.98Å; L1938-R1941 WeakPolarHBondContact O-CB 3.38Å; L1938-R1941 PolarHBondContact O-N 2.69Å; R1941-I1943 VanDerWaalsContact C-N 3.27Å; R1941-I1943 PolarHBondContact O-N 3.28Å; R1941-G1944 PolarHBondContact O-N 2.97Å; R1941-S2014 PolarHBondContact NE-O 3.44Å; R1941-S2014 PolarHBondContact NH2-OG 2.79Å; R1941-P2018 HydrophobicContact CG-CG 4.22Å |
| 1942 | L | 70.6 | Confident | 60.6 | Low | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -32.8 | -178.7 | -63.9 | 173.7 | 0 | 0 | 0 | 113.1 | M1883 L1887 L1938 G1944 L1945 S1991 | M1883-L1942 HydrophobicContact CE-CD1 3.82Å; M1883-L1942 HydrophobicContact CE-CD2 3.94Å; M1883-L1942 HydrophobicContact CE-CG 4.48Å; M1883-L1942 HydrophobicContact SD-CD1 3.67Å; M1883-L1942 HydrophobicContact SD-CD2 3.52Å; M1883-L1942 VanDerWaalsContact SD-CD2 3.52Å; M1883-L1942 HydrophobicContact SD-CG 4.26Å; L1887-L1942 HydrophobicContact CD1-CD1 4.32Å; L1938-L1942 HydrophobicContact CG-CD1 4.44Å; L1938-L1942 PolarHBondContact O-N 2.59Å; L1938-L1942 VanDerWaalsContact O-N 3.13Å; L1942-G1944 PolarHBondContact O-N 3.43Å; L1942-L1945 HydrophobicContact CD2-CD1 3.98Å; L1942-L1945 PolarHBondContact O-N 3.41Å; L1942-S1991 WeakPolarHBondContact CB-OG 3.38Å |
| 1943 | I | 73.7 | Confident | 58.9 | Low | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -28.4 | 175.4 | -69.8 | 169.5 | 0 | 0 | 0 | 112.1 | L1939 A1940 R1941 L1945 I1992 L1995 L2019 L2066 | L1939-I1943 WeakPolarHBondContact O-CG1 3.27Å; A1940-I1943 PolarHBondContact O-N 3.41Å; R1941-I1943 VanDerWaalsContact C-N 3.27Å; R1941-I1943 PolarHBondContact O-N 3.28Å; I1943-L1945 VanDerWaalsContact C-N 3.31Å; I1943-L1945 PolarHBondContact O-N 3.46Å; I1943-I1992 HydrophobicContact CD1-CG1 3.85Å; I1943-I1992 HydrophobicContact CG1-CG1 4.02Å; I1943-L1995 HydrophobicContact CD1-CD2 4.08Å; I1943-L2019 HydrophobicContact CD1-CD2 4.41Å; I1943-L2019 HydrophobicContact CG2-CD2 4.34Å; I1943-L2066 HydrophobicContact CG2-CD1 3.86Å |
| 1944 | G | 65 | Low | 57.2 | Low | 6 Ų | 6 | 56.4 Ų | 56.4 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -4.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R1941 L1942 P2018 R2025 | R1941-G1944 PolarHBondContact O-N 2.97Å; L1942-G1944 PolarHBondContact O-N 3.43Å; G1944-P2018 VanDerWaalsContact CA-O 3.24Å; G1944-P2018 WeakPolarHBondContact CA-O 3.18Å; G1944-R2025 PolarHBondContact O-NH1 3.05Å |
| 1945 | L | 65.3 | Low | 55.4 | Low | 50 Ų | 50 | 59.1 Ų | 59.1 | 26% | 0.262 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -14.5 | -174.9 | -62.3 | 179.5 | 0 | 0 | 0 | 114.5 | V1815 L1872 L1942 I1943 | V1815-L1945 HydrophobicContact CG2-CD1 4.47Å; L1872-L1945 HydrophobicContact CD1-CD1 4.39Å; L1872-L1945 HydrophobicContact CD1-CD2 4.09Å; L1942-L1945 HydrophobicContact CD2-CD1 3.98Å; L1942-L1945 PolarHBondContact O-N 3.41Å; I1943-L1945 VanDerWaalsContact C-N 3.31Å; I1943-L1945 PolarHBondContact O-N 3.46Å |
| 1946 | W | 62.5 | Low | 53.3 | Low | 5 Ų | 5 | 63.8 Ų | 63.8 | 2% | 0.019 | 33% | 0.332 | C | S | . | . | trans | -55.4 | 151.2 | 179.9 | -173.9 | -127.6 | 0 | 0 | 0 | 113.1 | C1984 F1985 R2025 E2029 | W1946-C1984 HydrophobicContact CE3-CB 4.07Å; W1946-C1984 HydrophobicContact CZ3-CB 3.95Å; W1946-F1985 HydrophobicContact CE3-CB 4.49Å; W1946-F1985 HydrophobicContact CH2-CB 3.75Å; W1946-F1985 AromaticContact CH2-CD2 3.62Å; W1946-F1985 HydrophobicContact CH2-CD2 3.62Å; W1946-F1985 HydrophobicContact CH2-CG 4.18Å; W1946-F1985 AromaticContact CZ2-CD2 3.81Å; W1946-F1985 HydrophobicContact CZ2-CD2 3.81Å; W1946-F1985 HydrophobicContact CZ3-CB 3.61Å; W1946-F1985 HydrophobicContact CZ3-CD2 4.18Å; W1946-F1985 HydrophobicContact CZ3-CG 4.42Å; W1946-R2025 WeakPolarHBondContact O-CD 3.43Å; W1946-R2025 PolarHBondContact O-NE 2.94Å; W1946-R2025 PolarHBondContact O-NH1 3.23Å; W1946-E2029 WeakPolarHBondContact CZ2-OE2 3.41Å; W1946-E2029 PolarHBondContact NE1-OE2 3.05Å | ||
| 1947 | R | 54.5 | Low | 51.4 | Low | 163 Ų | 163 | 71.4 Ų | 71.4 | 62% | 0.615 | 37% | 0.372 | S | S | * | . | trans | -141 | 141 | 171 | -73.1 | -170.7 | 179.5 | -165.3 | 1.6 | 111.3 | ||||
| 1948 | P | 50.9 | Low | 49.7 | Very low | 30 Ų | 30 | 76.4 Ų | 76.4 | 20% | 0.195 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -89.3 | 153.1 | 173.7 | 34.7 | -33.1 | 0 | 0 | 0 | 112.9 | Q1950 E2028 E2029 L2032 | P1948-Q1950 PolarHBondContact O-N 2.85Å; P1948-E2028 HydrophobicContact CG-CB 4.14Å; P1948-E2029 HydrophobicContact CB-CB 4.25Å; P1948-L2032 HydrophobicContact CB-CD1 4.25Å |
| 1949 | H | 46.2 | Very low | 47.6 | Very low | 56 Ų | 56 | 80.1 Ų | 80.1 | 26% | 0.259 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 129 | 177.2 | -71.7 | -85.7 | 0 | 0 | 0 | 113.1 | D1981 L2032 R2055 | H1949-D1981 IonicContact CE1-OD2 2.89Å; H1949-D1981 PolarHBondContact CE1-OD2 2.81Å; H1949-D1981 IonicContact ND1-OD2 2.69Å; H1949-D1981 IonicContact NE2-OD2 3.24Å; H1949-D1981 PolarHBondContact NE2-OD2 2.84Å; H1949-L2032 WeakPolarHBondContact O-CD1 3.26Å; H1949-R2055 PolarHBondContact CD2-NH2 3.34Å; H1949-R2055 PolarHBondContact NE2-NH1 2.97Å; H1949-R2055 VanDerWaalsContact NE2-NH1 3.15Å; H1949-R2055 PolarHBondContact NE2-NH2 2.79Å; H1949-R2055 VanDerWaalsContact NE2-NH2 3.12Å |
| 1950 | Q | 40.8 | Very low | 45.5 | Very low | 190 Ų | 190 | 88.9 Ų | 88.9 | 89% | 0.888 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 140.8 | 163.9 | -67.1 | -176.6 | -22.3 | 0 | 0 | 110.3 | P1948 | P1948-Q1950 PolarHBondContact O-N 2.85Š|
| 1951 | L | 31.9 | Very low | 43.8 | Very low | 111 Ų | 111 | 93.4 Ų | 93.4 | 58% | 0.581 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -90.2 | 144.6 | 171.3 | -117.9 | 83.6 | 0 | 0 | 0 | 110.2 | K2036 | L1951-K2036 VanDerWaalsContact CD1-CE 3.48Š|
| 1952 | P | 30.3 | Very low | 42.2 | Very low | 103 Ų | 103 | 95.2 Ų | 95.2 | 67% | 0.669 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 146.6 | 168.5 | 28.2 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 1953 | T | 29.8 | Very low | 40.5 | Very low | 137 Ų | 137 | 100.9 Ų | 100.9 | 84% | 0.84 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -71 | 126.9 | -180 | 48.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1954 | I | 25.9 | Very low | 38.8 | Very low | 160 Ų | 160 | 107.8 Ų | 107.8 | 82% | 0.821 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 129.1 | 177.5 | -58.8 | 169.8 | 0 | 0 | 0 | 110.3 | ||
| 1955 | Q | 26.2 | Very low | 37.3 | Very low | 174 Ų | 174 | 112.2 Ų | 112.2 | 81% | 0.813 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 139.8 | 158.2 | -72.9 | -170.2 | -14.6 | 0 | 0 | 109.6 | ||
| 1956 | P | 27 | Very low | 35.9 | Very low | 102 Ų | 102 | 116.4 Ų | 116.4 | 66% | 0.662 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -77.4 | 162.4 | 171.2 | 33.9 | -34.9 | 0 | 0 | 0 | 111.6 | ||
| 1957 | N | 28.7 | Very low | 34.7 | Very low | 159 Ų | 159 | 119.9 Ų | 119.9 | 85% | 0.85 | 63% | 0.63 | S | S | * | * | trans | 82.7 | 53.8 | 170.2 | -46.3 | -17.7 | 0 | 0 | 0 | 117.8 | ||||
| 1958 | V | 30.2 | Very low | 33.8 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 69% | 0.685 | 63% | 0.63 | S | S | * | * | trans | -130 | 146.4 | 160.4 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | D1962 | V1958-D1962 HydrophobicContact CG1-CB 4.48Š| ||
| 1959 | C | 27.7 | Very low | 33 | Very low | 92 Ų | 92 | 122 Ų | 122 | 62% | 0.622 | 65% | 0.646 | S | S | * | * | trans | -80.4 | 157.9 | -161.4 | -66.1 | 0 | 0 | 0 | 0 | 115.1 | S1961 D1962 | C1959-S1961 PolarHBondContact O-N 3.26Å; C1959-S1961 VanDerWaalsContact O-N 3.09Å; C1959-D1962 PolarHBondContact O-N 2.82Å; C1959-D1962 VanDerWaalsContact O-N 3.14Å | ||
| 1960 | E | 30.3 | Very low | 32.5 | Very low | 184 Ų | 184 | 123.5 Ų | 123.5 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -59.4 | -21.9 | -177.8 | -62.1 | 179 | 119.2 | 0 | 0 | 114.2 | D1962 L1963 | E1960-D1962 VanDerWaalsContact C-N 3.34Å; E1960-D1962 PolarHBondContact O-N 3.45Å; E1960-L1963 VanDerWaalsContact O-CB 3.28Å; E1960-L1963 WeakPolarHBondContact O-CB 3.34Å; E1960-L1963 PolarHBondContact O-N 2.9Å |
| 1961 | S | 35.1 | Very low | 32.1 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 67% | 0.671 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -63.9 | -33.3 | 175.8 | 47.8 | 0 | 0 | 0 | 0 | 113.8 | C1959 L1963 | C1959-S1961 PolarHBondContact O-N 3.26Å; C1959-S1961 VanDerWaalsContact O-N 3.09Å; S1961-L1963 VanDerWaalsContact C-N 3.27Å; S1961-L1963 PolarHBondContact O-N 2.9Å |
| 1962 | D | 33.9 | Very low | 32.1 | Very low | 64 Ų | 64 | 113.2 Ų | 113.2 | 34% | 0.342 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -83.7 | -2.3 | -177.3 | -69.4 | -58.8 | 0 | 0 | 0 | 113.3 | V1958 C1959 E1960 H1964 N1965 W1966 | V1958-D1962 HydrophobicContact CG1-CB 4.48Å; C1959-D1962 PolarHBondContact O-N 2.82Å; C1959-D1962 VanDerWaalsContact O-N 3.14Å; E1960-D1962 VanDerWaalsContact C-N 3.34Å; E1960-D1962 PolarHBondContact O-N 3.45Å; D1962-H1964 PolarHBondContact O-N 3.38Å; D1962-N1965 WeakPolarHBondContact O-CB 3.2Å; D1962-N1965 PolarHBondContact O-N 3.31Å; D1962-N1965 VanDerWaalsContact O-N 3.09Å; D1962-W1966 PolarHBondContact O-N 2.84Å |
| 1963 | L | 35.2 | Very low | 32.1 | Very low | 122 Ų | 122 | 111.7 Ų | 111.7 | 64% | 0.639 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61 | -30.3 | -177.5 | -158.6 | 70.6 | 0 | 0 | 0 | 112.3 | E1960 S1961 W1966 T1967 | E1960-L1963 VanDerWaalsContact O-CB 3.28Å; E1960-L1963 WeakPolarHBondContact O-CB 3.34Å; E1960-L1963 PolarHBondContact O-N 2.9Å; S1961-L1963 VanDerWaalsContact C-N 3.27Å; S1961-L1963 PolarHBondContact O-N 2.9Å; L1963-W1966 PolarHBondContact O-N 3.44Å; L1963-T1967 PolarHBondContact O-N 3.36Å; L1963-T1967 PolarHBondContact O-OG1 3.1Å |
| 1964 | H | 37.1 | Very low | 32.4 | Very low | 147 Ų | 147 | 109.6 Ų | 109.6 | 68% | 0.681 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.4 | -39.3 | 176.1 | -137.3 | 74.5 | 0 | 0 | 0 | 112.4 | D1962 W1966 T1967 H1968 | D1962-H1964 PolarHBondContact O-N 3.38Å; H1964-W1966 VanDerWaalsContact C-N 3.33Å; H1964-T1967 WeakPolarHBondContact CA-OG1 3.4Å; H1964-T1967 PolarHBondContact O-N 3.03Å; H1964-T1967 PolarHBondContact O-OG1 3.33Å; H1964-H1968 PolarHBondContact O-N 3.2Å |
| 1965 | N | 33.9 | Very low | 32.8 | Very low | 99 Ų | 99 | 108.2 Ų | 108.2 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.4 | -36.2 | 171.6 | -78.9 | -29.7 | 0 | 0 | 0 | 111.2 | D1962 H1968 L1969 | D1962-N1965 WeakPolarHBondContact O-CB 3.2Å; D1962-N1965 PolarHBondContact O-N 3.31Å; D1962-N1965 VanDerWaalsContact O-N 3.09Å; N1965-H1968 PolarHBondContact O-N 2.97Å; N1965-L1969 WeakPolarHBondContact O-CB 3.31Å; N1965-L1969 PolarHBondContact O-N 2.92Å |
| 1966 | W | 36.1 | Very low | 33.1 | Very low | 137 Ų | 137 | 108.3 Ų | 108.3 | 52% | 0.519 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.3 | -38.8 | 173.2 | -92.9 | 91.8 | 0 | 0 | 0 | 113.2 | D1962 L1963 H1964 H1968 L1969 I1970 | D1962-W1966 PolarHBondContact O-N 2.84Å; L1963-W1966 PolarHBondContact O-N 3.44Å; H1964-W1966 VanDerWaalsContact C-N 3.33Å; W1966-H1968 VanDerWaalsContact C-N 3.32Å; W1966-H1968 PolarHBondContact O-N 3.01Å; W1966-L1969 PolarHBondContact O-N 3.08Å; W1966-I1970 HydrophobicContact CE3-CD1 3.93Å; W1966-I1970 HydrophobicContact CE3-CG1 4.08Å; W1966-I1970 VanDerWaalsContact O-CB 3.29Å; W1966-I1970 WeakPolarHBondContact O-CB 3.35Å; W1966-I1970 VanDerWaalsContact O-CG1 3.25Å; W1966-I1970 WeakPolarHBondContact O-CG1 3.35Å; W1966-I1970 PolarHBondContact O-N 3.18Å |
| 1967 | T | 36.6 | Very low | 33.4 | Very low | 78 Ų | 78 | 110.2 Ų | 110.2 | 48% | 0.479 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.6 | -38.4 | 171 | 37.4 | 0 | 0 | 0 | 0 | 112.5 | L1963 H1964 S1971 | L1963-T1967 PolarHBondContact O-N 3.36Å; L1963-T1967 PolarHBondContact O-OG1 3.1Å; H1964-T1967 WeakPolarHBondContact CA-OG1 3.4Å; H1964-T1967 PolarHBondContact O-N 3.03Å; H1964-T1967 PolarHBondContact O-OG1 3.33Å; T1967-S1971 WeakPolarHBondContact O-CB 3.37Å; T1967-S1971 PolarHBondContact O-N 3.18Å |
| 1968 | H | 36.3 | Very low | 34 | Very low | 133 Ų | 133 | 106.5 Ų | 106.5 | 62% | 0.616 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.2 | -45.8 | 176.2 | -114.6 | -76.9 | 0 | 0 | 0 | 112.5 | H1964 N1965 W1966 S1971 A1972 | H1964-H1968 PolarHBondContact O-N 3.2Å; N1965-H1968 PolarHBondContact O-N 2.97Å; W1966-H1968 VanDerWaalsContact C-N 3.32Å; W1966-H1968 PolarHBondContact O-N 3.01Å; H1968-S1971 PolarHBondContact O-N 2.86Å; H1968-S1971 VanDerWaalsContact O-N 3.16Å; H1968-S1971 PolarHBondContact O-OG 2.95Å; H1968-A1972 PolarHBondContact O-N 2.87Å |
| 1969 | L | 33.6 | Very low | 34.7 | Very low | 105 Ų | 105 | 106.4 Ų | 106.4 | 55% | 0.55 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 176.5 | -80.6 | 163.9 | 0 | 0 | 0 | 112 | N1965 W1966 S1971 A1972 S1973 | N1965-L1969 WeakPolarHBondContact O-CB 3.31Å; N1965-L1969 PolarHBondContact O-N 2.92Å; W1966-L1969 PolarHBondContact O-N 3.08Å; L1969-S1971 VanDerWaalsContact C-N 3.29Å; L1969-S1971 PolarHBondContact O-N 3.49Å; L1969-A1972 PolarHBondContact O-N 2.93Å; L1969-S1973 WeakPolarHBondContact O-CB 3.48Å; L1969-S1973 PolarHBondContact O-N 2.97Å; L1969-S1973 PolarHBondContact O-OG 3.43Å; L1969-S1973 VanDerWaalsContact O-OG 3.09Å |
| 1970 | I | 35.3 | Very low | 35.6 | Very low | 87 Ų | 87 | 107.1 Ų | 107.1 | 45% | 0.446 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 173.7 | -71.6 | 168 | 0 | 0 | 0 | 110.6 | W1966 I1974 | W1966-I1970 HydrophobicContact CE3-CD1 3.93Å; W1966-I1970 HydrophobicContact CE3-CG1 4.08Å; W1966-I1970 VanDerWaalsContact O-CB 3.29Å; W1966-I1970 WeakPolarHBondContact O-CB 3.35Å; W1966-I1970 VanDerWaalsContact O-CG1 3.25Å; W1966-I1970 WeakPolarHBondContact O-CG1 3.35Å; W1966-I1970 PolarHBondContact O-N 3.18Å; I1970-I1974 HydrophobicContact CG2-CD1 3.66Å; I1970-I1974 HydrophobicContact CG2-CG1 4.48Å; I1970-I1974 VanDerWaalsContact O-CB 3.28Å; I1970-I1974 WeakPolarHBondContact O-CB 3.45Å; I1970-I1974 WeakPolarHBondContact O-CD1 3.42Å; I1970-I1974 WeakPolarHBondContact O-CG1 3.48Å; I1970-I1974 PolarHBondContact O-N 3.48Å |
| 1971 | S | 33 | Very low | 36.6 | Very low | 44 Ų | 44 | 100.5 Ų | 100.5 | 31% | 0.308 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 177.1 | 77.9 | 0 | 0 | 0 | 0 | 113 | T1967 H1968 L1969 Q1975 | T1967-S1971 WeakPolarHBondContact O-CB 3.37Å; T1967-S1971 PolarHBondContact O-N 3.18Å; H1968-S1971 PolarHBondContact O-N 2.86Å; H1968-S1971 VanDerWaalsContact O-N 3.16Å; H1968-S1971 PolarHBondContact O-OG 2.95Å; L1969-S1971 VanDerWaalsContact C-N 3.29Å; L1969-S1971 PolarHBondContact O-N 3.49Å; S1971-Q1975 WeakPolarHBondContact O-CG 3.44Å; S1971-Q1975 PolarHBondContact O-N 2.77Å; S1971-Q1975 VanDerWaalsContact O-N 3.09Å |
| 1972 | A | 32.5 | Very low | 37.8 | Very low | 42 Ų | 42 | 97.2 Ų | 97.2 | 35% | 0.347 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.5 | -48.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H1968 L1969 I1974 Q1975 E1976 | H1968-A1972 PolarHBondContact O-N 2.87Å; L1969-A1972 PolarHBondContact O-N 2.93Å; A1972-I1974 PolarHBondContact O-N 2.89Å; A1972-Q1975 PolarHBondContact O-N 3.2Å; A1972-E1976 PolarHBondContact O-N 3.44Å; A1972-E1976 VanDerWaalsContact O-N 3.1Å |
| 1973 | S | 30.6 | Very low | 39 | Very low | 71 Ų | 71 | 95.1 Ų | 95.1 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -32.4 | 175.9 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | L1969 | L1969-S1973 WeakPolarHBondContact O-CB 3.48Å; L1969-S1973 PolarHBondContact O-N 2.97Å; L1969-S1973 PolarHBondContact O-OG 3.43Å; L1969-S1973 VanDerWaalsContact O-OG 3.09Å |
| 1974 | I | 34.6 | Very low | 40.1 | Very low | 92 Ų | 92 | 91.9 Ų | 91.9 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.6 | -33.4 | 172.3 | -72.6 | 171.5 | 0 | 0 | 0 | 111.5 | I1970 A1972 N1978 | I1970-I1974 HydrophobicContact CG2-CD1 3.66Å; I1970-I1974 HydrophobicContact CG2-CG1 4.48Å; I1970-I1974 VanDerWaalsContact O-CB 3.28Å; I1970-I1974 WeakPolarHBondContact O-CB 3.45Å; I1970-I1974 WeakPolarHBondContact O-CD1 3.42Å; I1970-I1974 WeakPolarHBondContact O-CG1 3.48Å; I1970-I1974 PolarHBondContact O-N 3.48Å; A1972-I1974 PolarHBondContact O-N 2.89Å; I1974-N1978 PolarHBondContact O-ND2 2.81Å |
| 1975 | Q | 35 | Very low | 41.4 | Very low | 131 Ų | 131 | 87.1 Ų | 87.1 | 61% | 0.612 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -70.5 | -40.2 | 178.3 | -80.2 | -177.1 | -22.5 | 0 | 0 | 113.1 | S1971 A1972 | S1971-Q1975 WeakPolarHBondContact O-CG 3.44Å; S1971-Q1975 PolarHBondContact O-N 2.77Å; S1971-Q1975 VanDerWaalsContact O-N 3.09Å; A1972-Q1975 PolarHBondContact O-N 3.2Å |
| 1976 | E | 32.2 | Very low | 42.9 | Very low | 176 Ų | 176 | 90.4 Ų | 90.4 | 82% | 0.822 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -83.3 | -19.7 | -172.9 | -65.6 | -173.4 | 152.1 | 0 | 0 | 115.1 | A1972 | A1972-E1976 PolarHBondContact O-N 3.44Å; A1972-E1976 VanDerWaalsContact O-N 3.1Å |
| 1977 | Q | 33.8 | Very low | 44.4 | Very low | 143 Ų | 143 | 84.6 Ų | 84.6 | 67% | 0.668 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -96.3 | -3.5 | 176 | -70 | -169.4 | -24.2 | 0 | 0 | 114.9 | Y1979 | Q1977-Y1979 VanDerWaalsContact C-N 3.26Å; Q1977-Y1979 PolarHBondContact O-N 3.48Å |
| 1978 | N | 40.7 | Very low | 46 | Very low | 80 Ų | 80 | 81.1 Ų | 81.1 | 43% | 0.428 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -70.1 | -11.8 | -174.2 | -96.4 | -26.4 | 0 | 0 | 0 | 115.4 | I1974 G1982 | I1974-N1978 PolarHBondContact O-ND2 2.81Å; N1978-G1982 PolarHBondContact O-N 3.19Å |
| 1979 | Y | 44.4 | Very low | 47.7 | Very low | 112 Ų | 112 | 78.5 Ų | 78.5 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -83.6 | -55 | -168.6 | -145.1 | -100.2 | 0 | 0 | 0 | 113.5 | I1680 Q1977 D1981 G1982 I1983 | I1680-Y1979 HydrophobicContact CD1-CD2 4.41Å; I1680-Y1979 HydrophobicContact CD1-CE2 3.69Å; Q1977-Y1979 VanDerWaalsContact C-N 3.26Å; Q1977-Y1979 PolarHBondContact O-N 3.48Å; Y1979-D1981 PolarHBondContact O-N 2.79Å; Y1979-G1982 PolarHBondContact O-N 2.91Å; Y1979-G1982 VanDerWaalsContact O-N 3.14Å; Y1979-I1983 HydrophobicContact CD1-CD1 4.09Å; Y1979-I1983 HydrophobicContact CE1-CD1 4.14Å; Y1979-I1983 PolarHBondContact O-N 2.92Å; Y1979-I1983 VanDerWaalsContact O-N 3.14Å |
| 1980 | E | 47.5 | Very low | 49.6 | Very low | 107 Ų | 107 | 74.3 Ų | 74.3 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 179.4 | -61 | -167.7 | 151.3 | 0 | 0 | 112.3 | T1876 G1982 I1983 C1984 | T1876-E1980 VanDerWaalsContact CB-OE1 3.24Å; T1876-E1980 WeakPolarHBondContact CB-OE1 3.34Å; T1876-E1980 HydrophobicContact CG2-CG 4.46Å; T1876-E1980 VanDerWaalsContact CG2-OE1 3.31Å; T1876-E1980 WeakPolarHBondContact CG2-OE1 3.42Å; T1876-E1980 PolarHBondContact OG1-OE1 3.46Å; E1980-G1982 VanDerWaalsContact C-N 3.29Å; E1980-G1982 PolarHBondContact O-N 3.34Å; E1980-I1983 PolarHBondContact O-N 3.31Å; E1980-C1984 PolarHBondContact O-N 3.49Å; E1980-C1984 PolarHBondContact O-SG 2.88Å; E1980-C1984 VanDerWaalsContact O-SG 3.4Å |
| 1981 | D | 50.7 | Low | 51.5 | Low | 44 Ų | 44 | 70.1 Ų | 70.1 | 24% | 0.235 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 172.8 | -90.3 | -0.9 | 0 | 0 | 0 | 111.1 | H1949 Y1979 I1983 C1984 F1985 | H1949-D1981 IonicContact CE1-OD2 2.89Å; H1949-D1981 PolarHBondContact CE1-OD2 2.81Å; H1949-D1981 IonicContact ND1-OD2 2.69Å; H1949-D1981 IonicContact NE2-OD2 3.24Å; H1949-D1981 PolarHBondContact NE2-OD2 2.84Å; Y1979-D1981 PolarHBondContact O-N 2.79Å; D1981-I1983 VanDerWaalsContact C-N 3.35Å; D1981-I1983 PolarHBondContact O-N 3.15Å; D1981-C1984 PolarHBondContact O-N 3.1Å; D1981-F1985 WeakPolarHBondContact O-CB 3.44Å; D1981-F1985 PolarHBondContact O-N 3.33Å |
| 1982 | G | 59.9 | Low | 53.7 | Low | 27 Ų | 27 | 68.3 Ų | 68.3 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1978 Y1979 E1980 R1986 | N1978-G1982 PolarHBondContact O-N 3.19Å; Y1979-G1982 PolarHBondContact O-N 2.91Å; Y1979-G1982 VanDerWaalsContact O-N 3.14Å; E1980-G1982 VanDerWaalsContact C-N 3.29Å; E1980-G1982 PolarHBondContact O-N 3.34Å; G1982-R1986 WeakPolarHBondContact O-CG 3.44Å; G1982-R1986 PolarHBondContact O-N 3.49Å; G1982-R1986 VanDerWaalsContact O-N 3.13Å |
| 1983 | I | 59.6 | Low | 55.8 | Low | 20 Ų | 20 | 69.1 Ų | 69.1 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.1 | -50.6 | 177.6 | -66.7 | 170.7 | 0 | 0 | 0 | 110.5 | C1880 L1884 Y1979 E1980 D1981 F1985 R1986 L1987 | C1880-I1983 HydrophobicContact CB-CG2 3.4Å; C1880-I1983 VanDerWaalsContact CB-CG2 3.4Å; L1884-I1983 HydrophobicContact CD1-CG2 4.07Å; Y1979-I1983 HydrophobicContact CD1-CD1 4.09Å; Y1979-I1983 HydrophobicContact CE1-CD1 4.14Å; Y1979-I1983 PolarHBondContact O-N 2.92Å; Y1979-I1983 VanDerWaalsContact O-N 3.14Å; E1980-I1983 PolarHBondContact O-N 3.31Å; D1981-I1983 VanDerWaalsContact C-N 3.35Å; D1981-I1983 PolarHBondContact O-N 3.15Å; I1983-F1985 PolarHBondContact O-N 2.98Å; I1983-R1986 PolarHBondContact O-N 2.82Å; I1983-R1986 VanDerWaalsContact O-N 3.16Å; I1983-L1987 PolarHBondContact O-N 2.81Å |
| 1984 | C | 58.5 | Low | 57.9 | Low | 54 Ų | 54 | 65.7 Ų | 65.7 | 37% | 0.365 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58 | -37.6 | 176.2 | -67 | 0 | 0 | 0 | 0 | 112.1 | W1946 E1980 D1981 L1987 C1988 | W1946-C1984 HydrophobicContact CE3-CB 4.07Å; W1946-C1984 HydrophobicContact CZ3-CB 3.95Å; E1980-C1984 PolarHBondContact O-N 3.49Å; E1980-C1984 PolarHBondContact O-SG 2.88Å; E1980-C1984 VanDerWaalsContact O-SG 3.4Å; D1981-C1984 PolarHBondContact O-N 3.1Å; C1984-L1987 PolarHBondContact O-N 3.13Å; C1984-C1988 PolarHBondContact O-N 3.29Å |
| 1985 | F | 63.9 | Low | 60 | Low | 47 Ų | 47 | 61.6 Ų | 61.6 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 178 | -176.5 | -101.5 | 0 | 0 | 0 | 112.2 | W1946 D1981 I1983 E1989 Y2058 R2062 | W1946-F1985 HydrophobicContact CE3-CB 4.49Å; W1946-F1985 HydrophobicContact CH2-CB 3.75Å; W1946-F1985 AromaticContact CH2-CD2 3.62Å; W1946-F1985 HydrophobicContact CH2-CD2 3.62Å; W1946-F1985 HydrophobicContact CH2-CG 4.18Å; W1946-F1985 AromaticContact CZ2-CD2 3.81Å; W1946-F1985 HydrophobicContact CZ2-CD2 3.81Å; W1946-F1985 HydrophobicContact CZ3-CB 3.61Å; W1946-F1985 HydrophobicContact CZ3-CD2 4.18Å; W1946-F1985 HydrophobicContact CZ3-CG 4.42Å; D1981-F1985 WeakPolarHBondContact O-CB 3.44Å; D1981-F1985 PolarHBondContact O-N 3.33Å; I1983-F1985 PolarHBondContact O-N 2.98Å; F1985-E1989 PolarHBondContact O-N 3.45Å; F1985-Y2058 HydrophobicContact CE1-CD1 4.46Å; F1985-Y2058 AromaticContact CE1-CE1 3.72Å; F1985-Y2058 HydrophobicContact CE1-CE1 3.72Å; F1985-Y2058 HydrophobicContact CE2-CD1 4.12Å; F1985-Y2058 AromaticContact CE2-CE1 3.78Å; F1985-Y2058 HydrophobicContact CE2-CE1 3.78Å; F1985-Y2058 AromaticContact CZ-CD1 3.54Å; F1985-Y2058 HydrophobicContact CZ-CD1 3.54Å; F1985-Y2058 AromaticContact CZ-CE1 3.11Å; F1985-Y2058 HydrophobicContact CZ-CE1 3.11Å; F1985-Y2058 AromaticContact CZ-CZ 3.9Å; F1985-R2062 VanDerWaalsContact CD1-NH2 3.34Å; F1985-R2062 VanDerWaalsContact O-CZ 3.26Å; F1985-R2062 PolarHBondContact O-NH1 2.95Å; F1985-R2062 PolarHBondContact O-NH2 3.02Å |
| 1986 | R | 65.6 | Low | 62 | Low | 169 Ų | 169 | 57.4 Ų | 57.4 | 64% | 0.638 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.9 | -39.7 | 174.6 | -69.5 | 176.4 | -169 | -158.5 | 6.6 | 111.7 | L1884 G1982 I1983 C1988 E1989 A1990 | L1884-R1986 HydrophobicContact CD1-CB 4.09Å; L1884-R1986 HydrophobicContact CD2-CB 3.76Å; G1982-R1986 WeakPolarHBondContact O-CG 3.44Å; G1982-R1986 PolarHBondContact O-N 3.49Å; G1982-R1986 VanDerWaalsContact O-N 3.13Å; I1983-R1986 PolarHBondContact O-N 2.82Å; I1983-R1986 VanDerWaalsContact O-N 3.16Å; R1986-C1988 VanDerWaalsContact C-N 3.32Å; R1986-C1988 PolarHBondContact O-N 3.45Å; R1986-E1989 VanDerWaalsContact O-CB 3.31Å; R1986-E1989 WeakPolarHBondContact O-CB 3.4Å; R1986-E1989 PolarHBondContact O-N 2.83Å; R1986-A1990 PolarHBondContact O-N 2.69Å |
| 1987 | L | 67.3 | Low | 63.9 | Low | 15 Ų | 15 | 50.5 Ų | 50.5 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -41.7 | -179.2 | -171 | 72.7 | 0 | 0 | 0 | 111.8 | M1883 L1884 L1887 I1983 C1984 E1989 S1991 | M1883-L1987 HydrophobicContact CB-CD1 4.06Å; M1883-L1987 HydrophobicContact CG-CD1 3.82Å; M1883-L1987 HydrophobicContact SD-CD1 4.05Å; L1884-L1987 HydrophobicContact CG-CD1 4.14Å; L1887-L1987 HydrophobicContact CD1-CD1 3.86Å; I1983-L1987 PolarHBondContact O-N 2.81Å; C1984-L1987 PolarHBondContact O-N 3.13Å; L1987-E1989 VanDerWaalsContact C-N 3.35Å; L1987-E1989 PolarHBondContact O-N 3.22Å; L1987-S1991 WeakPolarHBondContact O-CB 3.37Å; L1987-S1991 PolarHBondContact O-N 2.92Å; L1987-S1991 PolarHBondContact O-OG 3.36Å |
| 1988 | C | 71 | Confident | 65.8 | Low | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.034 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.5 | -39.5 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | C1984 R1986 S1991 I1992 | C1984-C1988 PolarHBondContact O-N 3.29Å; R1986-C1988 VanDerWaalsContact C-N 3.32Å; R1986-C1988 PolarHBondContact O-N 3.45Å; C1988-S1991 PolarHBondContact O-N 3.49Å; C1988-I1992 VanDerWaalsContact O-CG1 3.28Å; C1988-I1992 WeakPolarHBondContact O-CG1 3.31Å; C1988-I1992 PolarHBondContact O-N 2.87Å |
| 1989 | E | 71.5 | Confident | 67.3 | Low | 77 Ų | 77 | 40.6 Ų | 40.6 | 36% | 0.36 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.6 | -47.7 | 177.7 | -158.1 | 161.6 | -169.4 | 0 | 0 | 112.9 | F1985 R1986 L1987 S1991 I1992 T1993 Y2058 R2062 | F1985-E1989 PolarHBondContact O-N 3.45Å; R1986-E1989 VanDerWaalsContact O-CB 3.31Å; R1986-E1989 WeakPolarHBondContact O-CB 3.4Å; R1986-E1989 PolarHBondContact O-N 2.83Å; L1987-E1989 VanDerWaalsContact C-N 3.35Å; L1987-E1989 PolarHBondContact O-N 3.22Å; E1989-S1991 VanDerWaalsContact C-N 3.27Å; E1989-S1991 PolarHBondContact O-N 2.87Å; E1989-I1992 PolarHBondContact O-N 3.38Å; E1989-T1993 WeakPolarHBondContact O-CB 3.32Å; E1989-T1993 PolarHBondContact O-N 3.47Å; E1989-T1993 PolarHBondContact O-OG1 2.87Å; E1989-Y2058 PolarHBondContact OE1-OH 3.18Å; E1989-Y2058 PolarHBondContact OE2-OH 2.91Å; E1989-R2062 IonicContact OE2-CZ 2.73Å; E1989-R2062 IonicContact OE2-NH2 2.74Å; E1989-R2062 PolarHBondContact OE2-NH2 2.89Å |
| 1990 | A | 73.6 | Confident | 68.6 | Low | 17 Ų | 17 | 37.9 Ų | 37.9 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1884 L1887 N1891 R1986 T1993 A1994 | L1884-A1990 HydrophobicContact CD2-CB 4.23Å; L1887-A1990 HydrophobicContact CB-CB 3.65Å; L1887-A1990 HydrophobicContact CD1-CB 3.93Å; L1887-A1990 HydrophobicContact CG-CB 4.43Å; N1891-A1990 PolarHBondContact ND2-O 2.92Å; R1986-A1990 PolarHBondContact O-N 2.69Å; A1990-T1993 PolarHBondContact O-N 3.48Å; A1990-A1994 WeakPolarHBondContact O-CB 3.43Å; A1990-A1994 PolarHBondContact O-N 3.5Å |
| 1991 | S | 76.4 | Confident | 69.6 | Low | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.8 | -47 | 175.6 | -57.7 | 0 | 0 | 0 | 0 | 112.8 | L1942 L1987 C1988 E1989 T1993 A1994 L1995 | L1942-S1991 WeakPolarHBondContact CB-OG 3.38Å; L1987-S1991 WeakPolarHBondContact O-CB 3.37Å; L1987-S1991 PolarHBondContact O-N 2.92Å; L1987-S1991 PolarHBondContact O-OG 3.36Å; C1988-S1991 PolarHBondContact O-N 3.49Å; E1989-S1991 VanDerWaalsContact C-N 3.27Å; E1989-S1991 PolarHBondContact O-N 2.87Å; S1991-T1993 VanDerWaalsContact C-N 3.27Å; S1991-T1993 PolarHBondContact O-N 3.46Å; S1991-A1994 PolarHBondContact O-N 2.89Å; S1991-L1995 WeakPolarHBondContact O-CB 3.47Å; S1991-L1995 PolarHBondContact O-N 3.47Å |
| 1992 | I | 78.1 | Confident | 70.4 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.8 | -39 | 175.2 | -70 | 168.1 | 0 | 0 | 0 | 110.8 | I1943 C1988 E1989 T1996 L2065 L2066 I2069 | I1943-I1992 HydrophobicContact CD1-CG1 3.85Å; I1943-I1992 HydrophobicContact CG1-CG1 4.02Å; C1988-I1992 VanDerWaalsContact O-CG1 3.28Å; C1988-I1992 WeakPolarHBondContact O-CG1 3.31Å; C1988-I1992 PolarHBondContact O-N 2.87Å; E1989-I1992 PolarHBondContact O-N 3.38Å; I1992-T1996 PolarHBondContact O-N 2.86Å; I1992-T1996 VanDerWaalsContact O-N 3.1Å; I1992-T1996 PolarHBondContact O-OG1 3.37Å; I1992-L2065 HydrophobicContact CG2-CB 4.35Å; I1992-L2066 HydrophobicContact CD1-CD1 4.32Å; I1992-I2069 HydrophobicContact CG2-CD1 3.95Å |
| 1993 | T | 77 | Confident | 70.2 | Confident | 59 Ų | 59 | 35 Ų | 35 | 36% | 0.362 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -69.9 | -46.9 | 179.8 | -51.6 | 0 | 0 | 0 | 0 | 111.4 | E1989 A1990 S1991 L1995 T1996 N1997 | E1989-T1993 WeakPolarHBondContact O-CB 3.32Å; E1989-T1993 PolarHBondContact O-N 3.47Å; E1989-T1993 PolarHBondContact O-OG1 2.87Å; A1990-T1993 PolarHBondContact O-N 3.48Å; S1991-T1993 VanDerWaalsContact C-N 3.27Å; S1991-T1993 PolarHBondContact O-N 3.46Å; T1993-L1995 VanDerWaalsContact C-N 3.33Å; T1993-L1995 PolarHBondContact O-N 3.25Å; T1993-T1996 WeakPolarHBondContact O-CB 3.31Å; T1993-T1996 PolarHBondContact O-N 3.46Å; T1993-T1996 VanDerWaalsContact O-N 3.1Å; T1993-N1997 PolarHBondContact O-N 3.49Å |
| 1994 | A | 74.8 | Confident | 70.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -41.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L1887 L1890 N1891 L1939 A1990 S1991 T1996 N1997 Y1998 | L1887-A1994 HydrophobicContact CD2-CB 4.24Å; L1890-A1994 HydrophobicContact CD2-CB 4.27Å; N1891-A1994 VanDerWaalsContact OD1-CA 3.23Å; N1891-A1994 WeakPolarHBondContact OD1-CA 3.44Å; N1891-A1994 PolarHBondContact OD1-N 3.3Å; L1939-A1994 HydrophobicContact CD1-CB 4Å; L1939-A1994 HydrophobicContact CD2-CB 3.74Å; A1990-A1994 WeakPolarHBondContact O-CB 3.43Å; A1990-A1994 PolarHBondContact O-N 3.5Å; S1991-A1994 PolarHBondContact O-N 2.89Å; A1994-T1996 VanDerWaalsContact C-N 3.31Å; A1994-T1996 PolarHBondContact O-N 2.84Å; A1994-N1997 PolarHBondContact O-N 3.33Å; A1994-Y1998 WeakPolarHBondContact O-CB 3.45Å; A1994-Y1998 PolarHBondContact O-N 2.9Å |
| 1995 | L | 77.7 | Confident | 69.9 | Low | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -34.8 | 176.2 | -170.4 | 63.9 | 0 | 0 | 0 | 112.1 | L1939 I1943 S1991 T1993 A1999 I2069 | L1939-L1995 HydrophobicContact CB-CB 4.4Å; L1939-L1995 HydrophobicContact CB-CD1 4.25Å; L1939-L1995 HydrophobicContact CD1-CB 4.37Å; L1939-L1995 HydrophobicContact CD1-CD1 4.41Å; I1943-L1995 HydrophobicContact CD1-CD2 4.08Å; S1991-L1995 WeakPolarHBondContact O-CB 3.47Å; S1991-L1995 PolarHBondContact O-N 3.47Å; T1993-L1995 VanDerWaalsContact C-N 3.33Å; T1993-L1995 PolarHBondContact O-N 3.25Å; L1995-A1999 VanDerWaalsContact O-CB 3.24Å; L1995-A1999 WeakPolarHBondContact O-CB 3.35Å; L1995-A1999 PolarHBondContact O-N 2.89Å; L1995-I2069 HydrophobicContact CD2-CG2 4.01Å; L1995-I2069 HydrophobicContact CG-CG2 4.05Å |
| 1996 | T | 76.7 | Confident | 69.5 | Low | 43 Ų | 43 | 40.6 Ų | 40.6 | 26% | 0.264 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 174.5 | -56.8 | 0 | 0 | 0 | 0 | 112 | I1992 T1993 A1994 S2000 I2069 | I1992-T1996 PolarHBondContact O-N 2.86Å; I1992-T1996 VanDerWaalsContact O-N 3.1Å; I1992-T1996 PolarHBondContact O-OG1 3.37Å; T1993-T1996 WeakPolarHBondContact O-CB 3.31Å; T1993-T1996 PolarHBondContact O-N 3.46Å; T1993-T1996 VanDerWaalsContact O-N 3.1Å; A1994-T1996 VanDerWaalsContact C-N 3.31Å; A1994-T1996 PolarHBondContact O-N 2.84Å; T1996-S2000 WeakPolarHBondContact O-CB 3.33Å; T1996-S2000 PolarHBondContact O-N 3.27Å; T1996-S2000 VanDerWaalsContact O-N 3.16Å; T1996-S2000 PolarHBondContact O-OG 3.05Å; T1996-I2069 WeakPolarHBondContact OG1-CD1 3.4Å |
| 1997 | N | 73.7 | Confident | 69 | Low | 30 Ų | 30 | 32.7 Ų | 32.7 | 16% | 0.16 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.9 | -44.8 | -179.7 | -72.9 | -21.8 | 0 | 0 | 0 | 111.6 | N1891 L1894 T1993 A1994 A1999 S2000 L2001 | N1891-N1997 PolarHBondContact OD1-ND2 3.17Å; L1894-N1997 HydrophobicContact CB-CB 4Å; L1894-N1997 HydrophobicContact CD1-CB 3.84Å; T1993-N1997 PolarHBondContact O-N 3.49Å; A1994-N1997 PolarHBondContact O-N 3.33Å; N1997-A1999 PolarHBondContact O-N 3.06Å; N1997-S2000 WeakPolarHBondContact O-CB 3.3Å; N1997-S2000 PolarHBondContact O-N 3.35Å; N1997-L2001 PolarHBondContact O-N 3.27Å |
| 1998 | Y | 74.3 | Confident | 68.3 | Low | 8 Ų | 8 | 39.4 Ų | 39.4 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56 | -49.4 | 173.3 | -175.2 | -87.6 | 0 | 0 | 0 | 111.8 | P1931 L1935 A1936 A1994 S2000 L2001 Y2002 | P1931-Y1998 HydrophobicContact CB-CE2 4.28Å; P1931-Y1998 HydrophobicContact CG-CD2 4.36Å; P1931-Y1998 HydrophobicContact CG-CE2 3.75Å; L1935-Y1998 HydrophobicContact CD2-CD2 4.19Å; L1935-Y1998 HydrophobicContact CD2-CE2 4.2Å; A1936-Y1998 HydrophobicContact CB-CD1 4.32Å; A1936-Y1998 HydrophobicContact CB-CE1 3.82Å; A1994-Y1998 WeakPolarHBondContact O-CB 3.45Å; A1994-Y1998 PolarHBondContact O-N 2.9Å; Y1998-S2000 PolarHBondContact O-N 3.42Å; Y1998-L2001 PolarHBondContact O-N 3.27Å; Y1998-Y2002 HydrophobicContact CD2-CD2 4.16Å; Y1998-Y2002 HydrophobicContact CE2-CD2 4.35Å; Y1998-Y2002 PolarHBondContact O-N 3.42Å |
| 1999 | A | 70.6 | Confident | 67.6 | Low | 8 Ų | 8 | 40.2 Ų | 40.2 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.6 | -9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1995 N1997 L2073 | L1995-A1999 VanDerWaalsContact O-CB 3.24Å; L1995-A1999 WeakPolarHBondContact O-CB 3.35Å; L1995-A1999 PolarHBondContact O-N 2.89Å; N1997-A1999 PolarHBondContact O-N 3.06Å; A1999-L2073 HydrophobicContact CB-CD2 4.27Å |
| 2000 | S | 71.5 | Confident | 66.8 | Low | 55 Ų | 55 | 36.8 Ų | 36.8 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -92.3 | -25.2 | 174.9 | -62.9 | 0 | 0 | 0 | 0 | 113.6 | T1996 N1997 Y1998 R2072 | T1996-S2000 WeakPolarHBondContact O-CB 3.33Å; T1996-S2000 PolarHBondContact O-N 3.27Å; T1996-S2000 VanDerWaalsContact O-N 3.16Å; T1996-S2000 PolarHBondContact O-OG 3.05Å; N1997-S2000 WeakPolarHBondContact O-CB 3.3Å; N1997-S2000 PolarHBondContact O-N 3.35Å; Y1998-S2000 PolarHBondContact O-N 3.42Å; S2000-R2072 PolarHBondContact OG-NH1 3.24Å |
| 2001 | L | 68.6 | Low | 66.1 | Low | 51 Ų | 51 | 36.7 Ų | 36.7 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -99 | -42.9 | -179.3 | -74.5 | 159.7 | 0 | 0 | 0 | 112.9 | L1894 V1897 A1898 N1997 Y1998 | L1894-L2001 HydrophobicContact CB-CD1 3.92Å; L1894-L2001 HydrophobicContact CD2-CD1 3.68Å; L1894-L2001 HydrophobicContact CG-CD1 4.4Å; L1894-L2001 WeakPolarHBondContact O-CD1 3.35Å; V1897-L2001 HydrophobicContact CG1-CD2 4.32Å; A1898-L2001 HydrophobicContact CB-CD2 4.03Å; N1997-L2001 PolarHBondContact O-N 3.27Å; Y1998-L2001 PolarHBondContact O-N 3.27Å |
| 2002 | Y | 68 | Low | 65.3 | Low | 25 Ų | 25 | 39.9 Ų | 39.9 | 10% | 0.098 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -111 | 17.3 | -170.8 | -55.2 | -74.1 | 0 | 0 | 0 | 113.1 | L1894 A1929 P1931 Y1998 G2004 | L1894-Y2002 HydrophobicContact CD2-CE2 3.99Å; A1929-Y2002 PolarHBondContact O-OH 3.39Å; P1931-Y2002 VanDerWaalsContact CD-CZ 3.45Å; P1931-Y2002 HydrophobicContact CG-CD1 4.45Å; P1931-Y2002 HydrophobicContact CG-CD2 3.89Å; P1931-Y2002 HydrophobicContact CG-CE1 4.21Å; P1931-Y2002 HydrophobicContact CG-CE2 3.62Å; P1931-Y2002 HydrophobicContact CG-CG 4.3Å; Y1998-Y2002 HydrophobicContact CD2-CD2 4.16Å; Y1998-Y2002 HydrophobicContact CE2-CD2 4.35Å; Y1998-Y2002 PolarHBondContact O-N 3.42Å; Y2002-G2004 PolarHBondContact O-N 2.92Å |
| 2003 | G | 55.2 | Low | 64.2 | Low | 42 Ų | 42 | 44.1 Ų | 44.1 | 43% | 0.433 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 77.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 2004 | G | 57.4 | Low | 63.2 | Low | 38 Ų | 38 | 43.5 Ų | 43.5 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -169.8 | -49.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y2002 S2007 | Y2002-G2004 PolarHBondContact O-N 2.92Å; G2004-S2007 PolarHBondContact O-OG 2.97Å |
| 2005 | E | 55.2 | Low | 62.5 | Low | 149 Ų | 149 | 43.6 Ų | 43.6 | 70% | 0.696 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -31.4 | -179.6 | -58.4 | -168.7 | 135.6 | 0 | 0 | 112.8 | ||
| 2006 | Y | 55.5 | Low | 62 | Low | 50 Ų | 50 | 44.4 Ų | 44.4 | 20% | 0.196 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -86.8 | -2.8 | -176.1 | -64.1 | -94.1 | 0 | 0 | 0 | 113.9 | P1933 R2008 S2009 | P1933-Y2006 HydrophobicContact CB-CD1 4.38Å; Y2006-R2008 PolarHBondContact O-N 3.27Å; Y2006-S2009 PolarHBondContact O-N 3.4Å; Y2006-S2009 VanDerWaalsContact O-N 3.16Å |
| 2007 | S | 55.3 | Low | 61.4 | Low | 4 Ų | 4 | 45.7 Ų | 45.7 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -49.3 | -41.2 | 167 | 42.9 | 0 | 0 | 0 | 0 | 112.4 | G2004 S2009 A2010 D2077 | G2004-S2007 PolarHBondContact O-OG 2.97Å; S2007-S2009 PolarHBondContact O-N 3.34Å; S2007-A2010 PolarHBondContact O-N 3.12Å; S2007-D2077 WeakPolarHBondContact CB-OD2 3.32Å; S2007-D2077 WeakPolarHBondContact OG-CB 3.21Å; S2007-D2077 PolarHBondContact OG-OD2 3.07Å |
| 2008 | R | 53.3 | Low | 61 | Low | 155 Ų | 155 | 45.6 Ų | 45.6 | 59% | 0.585 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -57 | -23.2 | -179.1 | -60.3 | 176.4 | -179.8 | 173.6 | 2.5 | 113.6 | Y2006 D2077 | Y2006-R2008 PolarHBondContact O-N 3.27Å; R2008-D2077 WeakPolarHBondContact CG-OD2 3.3Å; R2008-D2077 IonicContact NE-OD2 3.75Å |
| 2009 | S | 55.8 | Low | 60.9 | Low | 23 Ų | 23 | 45.5 Ų | 45.5 | 16% | 0.161 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -94.4 | -15.9 | 179.9 | -44.9 | 0 | 0 | 0 | 0 | 113.8 | P1933 Y2006 S2007 | P1933-S2009 WeakPolarHBondContact CB-OG 3.11Å; P1933-S2009 VanDerWaalsContact O-CB 3.24Å; P1933-S2009 WeakPolarHBondContact O-CB 3.42Å; Y2006-S2009 PolarHBondContact O-N 3.4Å; Y2006-S2009 VanDerWaalsContact O-N 3.16Å; S2007-S2009 PolarHBondContact O-N 3.34Å |
| 2010 | A | 54.8 | Low | 61 | Low | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -14.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1936 S2007 L2073 | A1936-A2010 HydrophobicContact CB-CB 3.78Å; S2007-A2010 PolarHBondContact O-N 3.12Å; A2010-L2073 HydrophobicContact CB-CD1 4.36Å; A2010-L2073 HydrophobicContact CB-CD2 4.28Å |
| 2011 | L | 57.4 | Low | 60.9 | Low | 15 Ų | 15 | 45.7 Ų | 45.7 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -130.2 | 54.5 | -178.6 | -70.4 | 172.1 | 0 | 0 | 0 | 110.7 | L2073 C2080 | L2011-L2073 HydrophobicContact CD1-CB 3.95Å; L2011-C2080 HydrophobicContact CD1-CB 3.78Å |
| 2012 | I | 61.5 | Low | 60.9 | Low | 68 Ų | 68 | 43.4 Ų | 43.4 | 35% | 0.349 | 24% | 0.243 | S | C | . | . | trans | -84.2 | 147 | 170.2 | -57.4 | 175.2 | 0 | 0 | 0 | 108 | S2014 S2015 T2016 | I2012-S2014 WeakPolarHBondContact CG2-OG 3.41Å; I2012-S2014 PolarHBondContact O-N 3.35Å; I2012-S2014 VanDerWaalsContact O-N 3.11Å; I2012-S2015 PolarHBondContact N-OG 3.12Å; I2012-S2015 VanDerWaalsContact N-OG 3.09Å; I2012-S2015 WeakPolarHBondContact O-CA 3.41Å; I2012-S2015 WeakPolarHBondContact O-CB 3.45Å; I2012-S2015 PolarHBondContact O-N 3.23Å; I2012-S2015 PolarHBondContact O-OG 2.94Å; I2012-T2016 PolarHBondContact O-N 3.14Å | ||
| 2013 | P | 54.3 | Low | 61.4 | Low | 94 Ų | 94 | 42.2 Ų | 42.2 | 61% | 0.61 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -52.5 | -33.6 | 177.1 | -30.2 | 37.1 | 0 | 0 | 0 | 114.6 | S2015 T2016 | P2013-S2015 PolarHBondContact O-N 2.79Å; P2013-T2016 PolarHBondContact O-N 2.87Å; P2013-T2016 PolarHBondContact O-OG1 2.89Å |
| 2014 | S | 55.5 | Low | 62.4 | Low | 46 Ų | 46 | 42.4 Ų | 42.4 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.7 | 10 | 173 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | R1941 I2012 | R1941-S2014 PolarHBondContact NE-O 3.44Å; R1941-S2014 PolarHBondContact NH2-OG 2.79Å; I2012-S2014 WeakPolarHBondContact CG2-OG 3.41Å; I2012-S2014 PolarHBondContact O-N 3.35Å; I2012-S2014 VanDerWaalsContact O-N 3.11Å |
| 2015 | S | 60.9 | Low | 63.1 | Low | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -132.3 | -13.7 | 177.3 | 63.8 | 0 | 0 | 0 | 0 | 114.1 | I2012 P2013 | I2012-S2015 PolarHBondContact N-OG 3.12Å; I2012-S2015 VanDerWaalsContact N-OG 3.09Å; I2012-S2015 WeakPolarHBondContact O-CA 3.41Å; I2012-S2015 WeakPolarHBondContact O-CB 3.45Å; I2012-S2015 PolarHBondContact O-N 3.23Å; I2012-S2015 PolarHBondContact O-OG 2.94Å; P2013-S2015 PolarHBondContact O-N 2.79Å |
| 2016 | T | 65.8 | Low | 63.9 | Low | 23 Ų | 23 | 36.1 Ų | 36.1 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.7 | -33.9 | 177.8 | 47 | 0 | 0 | 0 | 0 | 113.1 | I2012 P2013 L2019 S2020 | I2012-T2016 PolarHBondContact O-N 3.14Å; P2013-T2016 PolarHBondContact O-N 2.87Å; P2013-T2016 PolarHBondContact O-OG1 2.89Å; T2016-L2019 WeakPolarHBondContact O-CB 3.47Å; T2016-L2019 PolarHBondContact O-N 3.04Å; T2016-S2020 PolarHBondContact O-N 2.89Å |
| 2017 | D | 64.4 | Low | 64.9 | Low | 71 Ų | 71 | 34.2 Ų | 34.2 | 38% | 0.38 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -80.9 | -37.6 | -171.9 | -64.5 | 23.4 | 0 | 0 | 0 | 112.2 | L2019 S2020 L2021 | D2017-L2019 VanDerWaalsContact C-N 3.28Å; D2017-L2019 PolarHBondContact O-N 3.32Å; D2017-S2020 PolarHBondContact O-N 3.16Å; D2017-S2020 PolarHBondContact O-OG 3.18Å; D2017-L2021 VanDerWaalsContact O-CB 3.26Å; D2017-L2021 WeakPolarHBondContact O-CB 3.39Å; D2017-L2021 PolarHBondContact O-N 2.82Å |
| 2018 | P | 65.7 | Low | 65.7 | Low | 27 Ų | 27 | 37 Ų | 37 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -37 | 163.6 | -27.2 | 36.5 | 0 | 0 | 0 | 113.5 | A1940 R1941 G1944 G2022 | A1940-P2018 WeakPolarHBondContact O-CB 3.37Å; R1941-P2018 HydrophobicContact CG-CG 4.22Å; G1944-P2018 VanDerWaalsContact CA-O 3.24Å; G1944-P2018 WeakPolarHBondContact CA-O 3.18Å; P2018-G2022 PolarHBondContact O-N 2.82Å |
| 2019 | L | 71.8 | Confident | 66.5 | Low | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70 | -37.5 | 177.1 | -87.8 | 165.9 | 0 | 0 | 0 | 112.7 | A1940 I1943 T2016 D2017 L2023 L2066 L2097 | A1940-L2019 HydrophobicContact CB-CD1 4.02Å; A1940-L2019 HydrophobicContact CB-CG 4.22Å; I1943-L2019 HydrophobicContact CD1-CD2 4.41Å; I1943-L2019 HydrophobicContact CG2-CD2 4.34Å; T2016-L2019 WeakPolarHBondContact O-CB 3.47Å; T2016-L2019 PolarHBondContact O-N 3.04Å; D2017-L2019 VanDerWaalsContact C-N 3.28Å; D2017-L2019 PolarHBondContact O-N 3.32Å; L2019-L2023 WeakPolarHBondContact O-CB 3.28Å; L2019-L2023 WeakPolarHBondContact O-CG 3.33Å; L2019-L2023 PolarHBondContact O-N 3.19Å; L2019-L2066 HydrophobicContact CD2-CD2 3.99Å; L2019-L2097 HydrophobicContact CB-CD1 4.43Å |
| 2020 | S | 72.7 | Confident | 67.4 | Low | 6 Ų | 6 | 29.3 Ų | 29.3 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.2 | -40.5 | 174.2 | 70.1 | 0 | 0 | 0 | 0 | 111.3 | T2016 D2017 L2023 L2024 S2095 T2100 | T2016-S2020 PolarHBondContact O-N 2.89Å; D2017-S2020 PolarHBondContact O-N 3.16Å; D2017-S2020 PolarHBondContact O-OG 3.18Å; S2020-L2023 WeakPolarHBondContact O-CB 3.32Å; S2020-L2023 PolarHBondContact O-N 3.06Å; S2020-L2024 WeakPolarHBondContact O-CG 3.1Å; S2020-L2024 PolarHBondContact O-N 2.74Å; S2020-S2095 PolarHBondContact OG-O 2.99Å; S2020-T2100 WeakPolarHBondContact CB-OG1 3.38Å |
| 2021 | L | 70.7 | Confident | 68.2 | Low | 62 Ų | 62 | 32.8 Ų | 32.8 | 33% | 0.325 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.3 | -44.9 | 177 | -170.9 | 59.3 | 0 | 0 | 0 | 113.1 | D2017 L2023 L2024 R2025 | D2017-L2021 VanDerWaalsContact O-CB 3.26Å; D2017-L2021 WeakPolarHBondContact O-CB 3.39Å; D2017-L2021 PolarHBondContact O-N 2.82Å; L2021-L2023 VanDerWaalsContact C-N 3.31Å; L2021-L2023 PolarHBondContact O-N 2.81Å; L2021-L2024 PolarHBondContact O-N 2.99Å; L2021-R2025 WeakPolarHBondContact O-CG 3.49Å; L2021-R2025 PolarHBondContact O-N 2.97Å; L2021-R2025 VanDerWaalsContact O-N 3.15Å |
| 2022 | G | 68.8 | Low | 68.7 | Low | 2 Ų | 2 | 35.1 Ų | 35.1 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -34.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P2018 L2026 | P2018-G2022 PolarHBondContact O-N 2.82Å; G2022-L2026 WeakPolarHBondContact O-CG 3.44Å; G2022-L2026 PolarHBondContact O-N 3.42Å |
| 2023 | L | 77.3 | Confident | 68.9 | Low | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.7 | -39.6 | 174.2 | -90.4 | 174.5 | 0 | 0 | 0 | 113.2 | L2019 S2020 L2021 M2063 L2066 L2067 I2070 L2097 T2100 L2101 L2104 | L2019-L2023 WeakPolarHBondContact O-CB 3.28Å; L2019-L2023 WeakPolarHBondContact O-CG 3.33Å; L2019-L2023 PolarHBondContact O-N 3.19Å; S2020-L2023 WeakPolarHBondContact O-CB 3.32Å; S2020-L2023 PolarHBondContact O-N 3.06Å; L2021-L2023 VanDerWaalsContact C-N 3.31Å; L2021-L2023 PolarHBondContact O-N 2.81Å; L2023-M2063 HydrophobicContact CD2-CG 4.24Å; L2023-L2066 HydrophobicContact CD1-CD2 4.27Å; L2023-L2066 HydrophobicContact CD2-CD2 4.05Å; L2023-L2066 HydrophobicContact CG-CD2 3.99Å; L2023-L2067 HydrophobicContact CD2-CD2 4.37Å; L2023-I2070 HydrophobicContact CD1-CD1 3.87Å; L2023-L2097 HydrophobicContact CD1-CD1 3.78Å; L2023-T2100 HydrophobicContact CB-CG2 3.84Å; L2023-T2100 HydrophobicContact CD1-CG2 4.48Å; L2023-L2101 HydrophobicContact CD1-CD2 4.34Å; L2023-L2104 HydrophobicContact CB-CD1 4.01Å; L2023-L2104 HydrophobicContact CD2-CD1 3.89Å; L2023-L2104 HydrophobicContact CG-CD1 4.38Å |
| 2024 | L | 77.4 | Confident | 69.5 | Low | 46 Ų | 46 | 30.4 Ų | 30.4 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -51.5 | 176.1 | -72 | 170 | 0 | 0 | 0 | 111.4 | S2020 L2021 L2026 A2027 E2028 T2100 Y2103 | S2020-L2024 WeakPolarHBondContact O-CG 3.1Å; S2020-L2024 PolarHBondContact O-N 2.74Å; L2021-L2024 PolarHBondContact O-N 2.99Å; L2024-L2026 VanDerWaalsContact C-N 3.31Å; L2024-L2026 PolarHBondContact O-N 2.68Å; L2024-A2027 WeakPolarHBondContact O-CA 3.45Å; L2024-A2027 WeakPolarHBondContact O-CB 3.27Å; L2024-A2027 PolarHBondContact O-N 2.96Å; L2024-E2028 PolarHBondContact O-N 3.23Å; L2024-T2100 HydrophobicContact CD2-CG2 3.94Å; L2024-T2100 HydrophobicContact CG-CG2 3.86Å; L2024-Y2103 HydrophobicContact CD2-CD1 3.51Å; L2024-Y2103 HydrophobicContact CD2-CE1 3.71Å |
| 2025 | R | 70.7 | Confident | 70 | Confident | 51 Ų | 51 | 33.1 Ų | 33.1 | 19% | 0.192 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.3 | -29.6 | -173.8 | -67.4 | -179.3 | 178.8 | 152.8 | 3.6 | 113.9 | G1944 W1946 L2021 A2027 E2029 | G1944-R2025 PolarHBondContact O-NH1 3.05Å; W1946-R2025 WeakPolarHBondContact O-CD 3.43Å; W1946-R2025 PolarHBondContact O-NE 2.94Å; W1946-R2025 PolarHBondContact O-NH1 3.23Å; L2021-R2025 WeakPolarHBondContact O-CG 3.49Å; L2021-R2025 PolarHBondContact O-N 2.97Å; L2021-R2025 VanDerWaalsContact O-N 3.15Å; R2025-A2027 VanDerWaalsContact C-N 3.26Å; R2025-A2027 PolarHBondContact O-N 3.17Å; R2025-E2029 PolarHBondContact O-N 3.2Å |
| 2026 | L | 73.4 | Confident | 69.9 | Low | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -24.7 | 170.8 | -79 | 171.9 | 0 | 0 | 0 | 113.4 | G2022 L2024 R2062 L2066 | G2022-L2026 WeakPolarHBondContact O-CG 3.44Å; G2022-L2026 PolarHBondContact O-N 3.42Å; L2024-L2026 VanDerWaalsContact C-N 3.31Å; L2024-L2026 PolarHBondContact O-N 2.68Å; L2026-R2062 HydrophobicContact CD1-CB 4.49Å; L2026-R2062 HydrophobicContact CD2-CB 4.42Å; L2026-L2066 HydrophobicContact CD1-CD1 4.41Å |
| 2027 | A | 74.6 | Confident | 69.5 | Low | 10 Ų | 10 | 40 Ų | 40 | 8% | 0.083 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -89.2 | -34.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L2024 R2025 E2029 D2030 Q2031 L2104 | L2024-A2027 WeakPolarHBondContact O-CA 3.45Å; L2024-A2027 WeakPolarHBondContact O-CB 3.27Å; L2024-A2027 PolarHBondContact O-N 2.96Å; R2025-A2027 VanDerWaalsContact C-N 3.26Å; R2025-A2027 PolarHBondContact O-N 3.17Å; A2027-E2029 VanDerWaalsContact C-N 3.33Å; A2027-E2029 PolarHBondContact O-N 3.29Å; A2027-D2030 PolarHBondContact O-N 2.71Å; A2027-Q2031 WeakPolarHBondContact O-CG 3.46Å; A2027-Q2031 PolarHBondContact O-N 3.25Å; A2027-L2104 HydrophobicContact CB-CD2 3.38Å |
| 2028 | E | 73.7 | Confident | 69.2 | Low | 61 Ų | 61 | 43.1 Ų | 43.1 | 29% | 0.285 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.3 | -44.5 | 170.8 | -68.1 | 173.1 | 153.8 | 0 | 0 | 111.2 | P1948 L2024 D2030 Q2031 L2032 | P1948-E2028 HydrophobicContact CG-CB 4.14Å; L2024-E2028 PolarHBondContact O-N 3.23Å; E2028-D2030 PolarHBondContact O-N 3.26Å; E2028-Q2031 PolarHBondContact O-N 3.42Å; E2028-L2032 WeakPolarHBondContact O-CG 3.39Å; E2028-L2032 PolarHBondContact O-N 2.95Å |
| 2029 | E | 70.3 | Confident | 68.7 | Low | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.023 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 177.2 | -165.6 | 179.4 | -174.3 | 0 | 0 | 112.6 | W1946 P1948 R2025 A2027 Q2031 L2032 L2033 R2055 C2059 | W1946-E2029 WeakPolarHBondContact CZ2-OE2 3.41Å; W1946-E2029 PolarHBondContact NE1-OE2 3.05Å; P1948-E2029 HydrophobicContact CB-CB 4.25Å; R2025-E2029 PolarHBondContact O-N 3.2Å; A2027-E2029 VanDerWaalsContact C-N 3.33Å; A2027-E2029 PolarHBondContact O-N 3.29Å; E2029-Q2031 VanDerWaalsContact C-N 3.34Å; E2029-Q2031 PolarHBondContact O-N 2.72Å; E2029-L2032 PolarHBondContact O-N 3.42Å; E2029-L2033 HydrophobicContact CG-CD1 4.05Å; E2029-L2033 WeakPolarHBondContact O-CB 3.49Å; E2029-L2033 WeakPolarHBondContact O-CD1 3.48Å; E2029-L2033 VanDerWaalsContact O-CG 3.23Å; E2029-L2033 WeakPolarHBondContact O-CG 3.4Å; E2029-L2033 PolarHBondContact O-N 3.28Å; E2029-R2055 IonicContact OE1-CZ 2.68Å; E2029-R2055 IonicContact OE1-NE 3.19Å; E2029-R2055 PolarHBondContact OE1-NE 3.23Å; E2029-R2055 IonicContact OE1-NH2 2.79Å; E2029-R2055 PolarHBondContact OE1-NH2 3.05Å; E2029-C2059 PolarHBondContact OE2-SG 2.9Å |
| 2030 | D | 72.8 | Confident | 67.7 | Low | 13 Ų | 13 | 47.8 Ų | 47.8 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67 | -33.5 | 176.4 | -170.2 | 48.2 | 0 | 0 | 0 | 112.1 | A2027 E2028 Q2034 S2056 C2059 R2060 | A2027-D2030 PolarHBondContact O-N 2.71Å; E2028-D2030 PolarHBondContact O-N 3.26Å; D2030-Q2034 VanDerWaalsContact CG-NE2 3.25Å; D2030-Q2034 WeakPolarHBondContact O-CB 3.48Å; D2030-Q2034 VanDerWaalsContact O-CG 3.23Å; D2030-Q2034 WeakPolarHBondContact O-CG 3.35Å; D2030-Q2034 PolarHBondContact O-N 3.1Å; D2030-Q2034 VanDerWaalsContact O-N 3.09Å; D2030-Q2034 PolarHBondContact O-NE2 2.95Å; D2030-Q2034 PolarHBondContact OD1-NE2 3.25Å; D2030-Q2034 PolarHBondContact OD2-NE2 3.05Å; D2030-S2056 WeakPolarHBondContact OD1-CB 3.39Å; D2030-S2056 PolarHBondContact OD1-OG 2.81Å; D2030-C2059 HydrophobicContact CB-CB 4.49Å; D2030-R2060 IonicContact OD1-CZ 2.66Å; D2030-R2060 IonicContact OD1-NE 3.54Å; D2030-R2060 PolarHBondContact OD1-NE 3.33Å; D2030-R2060 IonicContact OD1-NH2 3.65Å; D2030-R2060 IonicContact OD2-CZ 3.89Å; D2030-R2060 IonicContact OD2-NE 3.95Å; D2030-R2060 PolarHBondContact OD2-NE 3.13Å; D2030-R2060 IonicContact OD2-NH2 3.57Å |
| 2031 | Q | 71.8 | Confident | 66.5 | Low | 77 Ų | 77 | 54.3 Ų | 54.3 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.4 | -47.8 | 171.4 | -73.6 | -174.9 | 3.8 | 0 | 0 | 112.2 | A2027 E2028 E2029 L2033 Q2034 I2035 | A2027-Q2031 WeakPolarHBondContact O-CG 3.46Å; A2027-Q2031 PolarHBondContact O-N 3.25Å; E2028-Q2031 PolarHBondContact O-N 3.42Å; E2029-Q2031 VanDerWaalsContact C-N 3.34Å; E2029-Q2031 PolarHBondContact O-N 2.72Å; Q2031-L2033 VanDerWaalsContact C-N 3.26Å; Q2031-L2033 PolarHBondContact O-N 2.95Å; Q2031-Q2034 PolarHBondContact O-N 3.16Å; Q2031-Q2034 VanDerWaalsContact O-N 3.12Å; Q2031-I2035 WeakPolarHBondContact O-CG1 3.33Å; Q2031-I2035 PolarHBondContact O-N 3.2Å |
| 2032 | L | 68.2 | Low | 65.5 | Low | 64 Ų | 64 | 60 Ų | 60 | 34% | 0.335 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.3 | -36.6 | 178.8 | -72.2 | 166.5 | 0 | 0 | 0 | 112.1 | P1948 H1949 E2028 E2029 K2036 | P1948-L2032 HydrophobicContact CB-CD1 4.25Å; H1949-L2032 WeakPolarHBondContact O-CD1 3.26Å; E2028-L2032 WeakPolarHBondContact O-CG 3.39Å; E2028-L2032 PolarHBondContact O-N 2.95Å; E2029-L2032 PolarHBondContact O-N 3.42Å; L2032-K2036 WeakPolarHBondContact O-CG 3.2Å; L2032-K2036 PolarHBondContact O-N 2.92Å |
| 2033 | L | 67.1 | Low | 64.5 | Low | 11 Ų | 11 | 65 Ų | 65 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71.8 | -35.7 | 175.4 | -69.3 | 164.7 | 0 | 0 | 0 | 112.7 | E2029 Q2031 Y2037 N2052 R2055 | E2029-L2033 HydrophobicContact CG-CD1 4.05Å; E2029-L2033 WeakPolarHBondContact O-CB 3.49Å; E2029-L2033 WeakPolarHBondContact O-CD1 3.48Å; E2029-L2033 VanDerWaalsContact O-CG 3.23Å; E2029-L2033 WeakPolarHBondContact O-CG 3.4Å; E2029-L2033 PolarHBondContact O-N 3.28Å; Q2031-L2033 VanDerWaalsContact C-N 3.26Å; Q2031-L2033 PolarHBondContact O-N 2.95Å; L2033-Y2037 WeakPolarHBondContact O-CB 3.5Å; L2033-Y2037 PolarHBondContact O-N 3.44Å; L2033-N2052 HydrophobicContact CD2-CB 4.47Å; L2033-R2055 HydrophobicContact CD1-CB 3.79Å; L2033-R2055 HydrophobicContact CD1-CG 3.68Å; L2033-R2055 HydrophobicContact CD2-CB 4.2Å; L2033-R2055 HydrophobicContact CD2-CG 4.4Å |
| 2034 | Q | 66.1 | Low | 62.7 | Low | 52 Ų | 52 | 71.7 Ų | 71.7 | 24% | 0.243 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 172.7 | -75.1 | 169.3 | 47.9 | 0 | 0 | 112 | D2030 Q2031 Y2037 H2038 R2060 | D2030-Q2034 VanDerWaalsContact CG-NE2 3.25Å; D2030-Q2034 WeakPolarHBondContact O-CB 3.48Å; D2030-Q2034 VanDerWaalsContact O-CG 3.23Å; D2030-Q2034 WeakPolarHBondContact O-CG 3.35Å; D2030-Q2034 PolarHBondContact O-N 3.1Å; D2030-Q2034 VanDerWaalsContact O-N 3.09Å; D2030-Q2034 PolarHBondContact O-NE2 2.95Å; D2030-Q2034 PolarHBondContact OD1-NE2 3.25Å; D2030-Q2034 PolarHBondContact OD2-NE2 3.05Å; Q2031-Q2034 PolarHBondContact O-N 3.16Å; Q2031-Q2034 VanDerWaalsContact O-N 3.12Å; Q2034-Y2037 PolarHBondContact O-N 3.35Å; Q2034-H2038 PolarHBondContact O-N 3.31Å; Q2034-H2038 VanDerWaalsContact O-N 3.08Å; Q2034-R2060 VanDerWaalsContact NE2-NH2 3.18Å |
| 2035 | I | 67 | Low | 60.6 | Low | 103 Ų | 103 | 78.9 Ų | 78.9 | 53% | 0.528 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 174.8 | -66.9 | 164.4 | 0 | 0 | 0 | 110.4 | Q2031 Y2037 H2038 V2039 | Q2031-I2035 WeakPolarHBondContact O-CG1 3.33Å; Q2031-I2035 PolarHBondContact O-N 3.2Å; I2035-Y2037 VanDerWaalsContact C-N 3.26Å; I2035-Y2037 PolarHBondContact O-N 3.49Å; I2035-H2038 PolarHBondContact O-N 3.03Å; I2035-H2038 VanDerWaalsContact O-N 3.13Å; I2035-V2039 PolarHBondContact O-N 2.98Å; I2035-V2039 VanDerWaalsContact O-N 3.11Å |
| 2036 | K | 57.8 | Low | 58.8 | Low | 82 Ų | 82 | 82.6 Ų | 82.6 | 36% | 0.357 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.1 | -38.5 | 175.9 | -76.7 | -179.7 | 176.9 | -176.7 | 0 | 112.4 | L1951 L2032 S2040 | L1951-K2036 VanDerWaalsContact CD1-CE 3.48Å; L2032-K2036 WeakPolarHBondContact O-CG 3.2Å; L2032-K2036 PolarHBondContact O-N 2.92Å; K2036-S2040 PolarHBondContact O-N 2.99Å; K2036-S2040 VanDerWaalsContact O-N 3.16Å; K2036-S2040 PolarHBondContact O-OG 2.82Å; K2036-S2040 VanDerWaalsContact O-OG 3.13Å |
| 2037 | Y | 56.4 | Low | 57.3 | Low | 86 Ų | 86 | 87.2 Ų | 87.2 | 34% | 0.337 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.6 | -29 | 178.4 | -172.9 | -109.8 | 0 | 0 | 0 | 114 | L2033 Q2034 I2035 S2040 D2049 | L2033-Y2037 WeakPolarHBondContact O-CB 3.5Å; L2033-Y2037 PolarHBondContact O-N 3.44Å; Q2034-Y2037 PolarHBondContact O-N 3.35Å; I2035-Y2037 VanDerWaalsContact C-N 3.26Å; I2035-Y2037 PolarHBondContact O-N 3.49Å; Y2037-S2040 PolarHBondContact O-OG 3.48Å; Y2037-D2049 HydrophobicContact CE2-CB 4.49Å |
| 2038 | H | 58.1 | Low | 55.5 | Low | 136 Ų | 136 | 95 Ų | 95 | 63% | 0.63 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73.5 | -46.7 | 172.5 | -93.1 | -89.4 | 0 | 0 | 0 | 112 | Q2034 I2035 S2040 K2041 | Q2034-H2038 PolarHBondContact O-N 3.31Å; Q2034-H2038 VanDerWaalsContact O-N 3.08Å; I2035-H2038 PolarHBondContact O-N 3.03Å; I2035-H2038 VanDerWaalsContact O-N 3.13Å; H2038-S2040 PolarHBondContact O-N 2.79Å; H2038-K2041 WeakPolarHBondContact O-CB 3.46Å; H2038-K2041 PolarHBondContact O-N 2.92Å; H2038-K2041 VanDerWaalsContact O-N 3.13Å |
| 2039 | V | 55.7 | Low | 54.1 | Low | 99 Ų | 99 | 94.9 Ų | 94.9 | 60% | 0.6 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.3 | -35.6 | -177.7 | 177.3 | 0 | 0 | 0 | 0 | 112.4 | I2035 K2041 | I2035-V2039 PolarHBondContact O-N 2.98Å; I2035-V2039 VanDerWaalsContact O-N 3.11Å; V2039-K2041 PolarHBondContact O-N 2.94Å |
| 2040 | S | 51.1 | Low | 53.2 | Low | 32 Ų | 32 | 97.9 Ų | 97.9 | 22% | 0.224 | 49% | 0.492 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -16.6 | 176.4 | 58 | 0 | 0 | 0 | 0 | 114 | K2036 Y2037 H2038 | K2036-S2040 PolarHBondContact O-N 2.99Å; K2036-S2040 VanDerWaalsContact O-N 3.16Å; K2036-S2040 PolarHBondContact O-OG 2.82Å; K2036-S2040 VanDerWaalsContact O-OG 3.13Å; Y2037-S2040 PolarHBondContact O-OG 3.48Å; H2038-S2040 PolarHBondContact O-N 2.79Å |
| 2041 | K | 48.7 | Very low | 52 | Low | 143 Ų | 143 | 104.8 Ų | 104.8 | 62% | 0.622 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -16.1 | -170.3 | -153.8 | 175 | -175.7 | -178.8 | 0 | 114.3 | H2038 V2039 | H2038-K2041 WeakPolarHBondContact O-CB 3.46Å; H2038-K2041 PolarHBondContact O-N 2.92Å; H2038-K2041 VanDerWaalsContact O-N 3.13Å; V2039-K2041 PolarHBondContact O-N 2.94Å |
| 2042 | E | 48.4 | Very low | 51.2 | Low | 182 Ų | 182 | 103.1 Ų | 103.1 | 85% | 0.85 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -13.5 | -176 | -64.2 | -176.3 | 149.3 | 0 | 0 | 113.5 | ||
| 2043 | T | 48.2 | Very low | 50.7 | Low | 107 Ų | 107 | 103 Ų | 103 | 66% | 0.656 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -43.4 | -166.7 | 44 | 0 | 0 | 0 | 0 | 115.4 | ||
| 2044 | L | 38.5 | Very low | 50.4 | Low | 140 Ų | 140 | 108.8 Ų | 108.8 | 73% | 0.733 | 54% | 0.544 | S | S | * | . | trans | -137.7 | 118 | -173.8 | -75.2 | 170.3 | 0 | 0 | 0 | 112.4 | ||||
| 2045 | K | 34.4 | Very low | 50.2 | Low | 197 Ų | 197 | 109 Ų | 109 | 86% | 0.857 | 54% | 0.543 | S | S | * | . | trans | -80.8 | 132.1 | 173.5 | -74.5 | 178.4 | 178 | 171.8 | 0 | 111.2 | ||||
| 2046 | N | 32.1 | Very low | 50.1 | Low | 130 Ų | 130 | 104.6 Ų | 104.6 | 70% | 0.695 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 86.8 | 150.2 | 166 | -49 | -31.2 | 0 | 0 | 0 | 117.3 | Y2048 | N2046-Y2048 PolarHBondContact O-N 2.99Š|
| 2047 | S | 41.6 | Very low | 50.7 | Low | 101 Ų | 101 | 104.2 Ų | 104.2 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 75.2 | -51.7 | -178.7 | 77.3 | 0 | 0 | 0 | 0 | 117.9 | D2049 | S2047-D2049 VanDerWaalsContact C-N 3.34Å; S2047-D2049 PolarHBondContact O-N 2.94Å |
| 2048 | Y | 37.9 | Very low | 51.2 | Low | 175 Ų | 175 | 102.8 Ų | 102.8 | 69% | 0.686 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -20.8 | -171.8 | -91.7 | -87.3 | 0 | 0 | 0 | 115.3 | N2046 S2050 | N2046-Y2048 PolarHBondContact O-N 2.99Å; Y2048-S2050 PolarHBondContact O-N 2.9Å; Y2048-S2050 VanDerWaalsContact O-N 3.16Å |
| 2049 | D | 45.1 | Very low | 51.7 | Low | 58 Ų | 58 | 96.4 Ų | 96.4 | 31% | 0.31 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.4 | -27.9 | -177.5 | -63.5 | -76.2 | 0 | 0 | 0 | 115 | Y2037 S2047 F2051 S2053 | Y2037-D2049 HydrophobicContact CE2-CB 4.49Å; S2047-D2049 VanDerWaalsContact C-N 3.34Å; S2047-D2049 PolarHBondContact O-N 2.94Å; D2049-F2051 PolarHBondContact O-N 2.8Å; D2049-S2053 WeakPolarHBondContact O-CB 3.33Å |
| 2050 | S | 50 | Low | 52.7 | Low | 67 Ų | 67 | 94.1 Ų | 94.1 | 47% | 0.469 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.1 | -33.5 | -170.5 | -172.4 | 0 | 0 | 0 | 0 | 113.6 | Y2048 K2054 | Y2048-S2050 PolarHBondContact O-N 2.9Å; Y2048-S2050 VanDerWaalsContact O-N 3.16Å; S2050-K2054 WeakPolarHBondContact O-CD 3.42Å; S2050-K2054 WeakPolarHBondContact O-CG 3.46Å |
| 2051 | F | 47.7 | Very low | 53.6 | Low | 159 Ų | 159 | 100.4 Ų | 100.4 | 70% | 0.697 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -84.8 | -49.2 | -167.6 | -152.1 | -94.8 | 0 | 0 | 0 | 112.5 | D2049 S2053 K2054 R2055 | D2049-F2051 PolarHBondContact O-N 2.8Å; F2051-S2053 VanDerWaalsContact C-N 3.32Å; F2051-S2053 PolarHBondContact O-N 3.08Å; F2051-K2054 PolarHBondContact O-N 2.9Å; F2051-R2055 PolarHBondContact O-N 2.89Å |
| 2052 | N | 54.9 | Low | 54.7 | Low | 41 Ų | 41 | 94 Ų | 94 | 22% | 0.219 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 179.2 | -70.7 | -32.4 | 0 | 0 | 0 | 112.2 | L2033 K2054 R2055 S2056 | L2033-N2052 HydrophobicContact CD2-CB 4.47Å; N2052-K2054 PolarHBondContact O-N 2.87Å; N2052-R2055 PolarHBondContact O-N 3.01Å; N2052-S2056 PolarHBondContact O-N 2.76Å |
| 2053 | S | 58.2 | Low | 56.1 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 43% | 0.434 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 112.7 | D2049 F2051 T2057 | D2049-S2053 WeakPolarHBondContact O-CB 3.33Å; F2051-S2053 VanDerWaalsContact C-N 3.32Å; F2051-S2053 PolarHBondContact O-N 3.08Å; S2053-T2057 PolarHBondContact O-N 2.83Å; S2053-T2057 PolarHBondContact O-OG1 2.9Å |
| 2054 | K | 61.1 | Low | 57.6 | Low | 132 Ų | 132 | 83.7 Ų | 83.7 | 57% | 0.574 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 175.1 | -73.1 | 170.6 | -177.9 | 170.5 | 0 | 111.9 | S2050 F2051 N2052 T2057 Y2058 | S2050-K2054 WeakPolarHBondContact O-CD 3.42Å; S2050-K2054 WeakPolarHBondContact O-CG 3.46Å; F2051-K2054 PolarHBondContact O-N 2.9Å; N2052-K2054 PolarHBondContact O-N 2.87Å; K2054-T2057 PolarHBondContact O-OG1 3.38Å; K2054-T2057 VanDerWaalsContact O-OG1 3.05Å; K2054-Y2058 WeakPolarHBondContact O-CB 3.44Å; K2054-Y2058 PolarHBondContact O-N 2.88Å |
| 2055 | R | 61.4 | Low | 59.4 | Low | 58 Ų | 58 | 80.8 Ų | 80.8 | 22% | 0.219 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | 179.9 | -158.9 | 172.5 | 169.2 | 164.4 | -3.4 | 111.9 | H1949 E2029 L2033 F2051 N2052 Y2058 C2059 | H1949-R2055 PolarHBondContact CD2-NH2 3.34Å; H1949-R2055 PolarHBondContact NE2-NH1 2.97Å; H1949-R2055 VanDerWaalsContact NE2-NH1 3.15Å; H1949-R2055 PolarHBondContact NE2-NH2 2.79Å; H1949-R2055 VanDerWaalsContact NE2-NH2 3.12Å; E2029-R2055 IonicContact OE1-CZ 2.68Å; E2029-R2055 IonicContact OE1-NE 3.19Å; E2029-R2055 PolarHBondContact OE1-NE 3.23Å; E2029-R2055 IonicContact OE1-NH2 2.79Å; E2029-R2055 PolarHBondContact OE1-NH2 3.05Å; L2033-R2055 HydrophobicContact CD1-CB 3.79Å; L2033-R2055 HydrophobicContact CD1-CG 3.68Å; L2033-R2055 HydrophobicContact CD2-CB 4.2Å; L2033-R2055 HydrophobicContact CD2-CG 4.4Å; F2051-R2055 PolarHBondContact O-N 2.89Å; N2052-R2055 PolarHBondContact O-N 3.01Å; R2055-Y2058 WeakPolarHBondContact O-CB 3.35Å; R2055-Y2058 PolarHBondContact O-N 3.02Å; R2055-C2059 PolarHBondContact O-N 3.29Å; R2055-C2059 PolarHBondContact O-SG 2.72Å; R2055-C2059 VanDerWaalsContact O-SG 3.36Å |
| 2056 | S | 65.9 | Low | 61.4 | Low | 10 Ų | 10 | 71.5 Ų | 71.5 | 7% | 0.07 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.8 | -48.3 | 175.8 | 172 | 0 | 0 | 0 | 0 | 112.9 | D2030 N2052 Y2058 C2059 R2060 | D2030-S2056 WeakPolarHBondContact OD1-CB 3.39Å; D2030-S2056 PolarHBondContact OD1-OG 2.81Å; N2052-S2056 PolarHBondContact O-N 2.76Å; S2056-Y2058 PolarHBondContact O-N 2.89Å; S2056-C2059 PolarHBondContact O-N 2.67Å; S2056-R2060 PolarHBondContact O-N 3.26Å; S2056-R2060 PolarHBondContact OG-NE 3.46Å; S2056-R2060 PolarHBondContact OG-NH2 3.45Å |
| 2057 | T | 70.4 | Confident | 63.8 | Low | 73 Ų | 73 | 65.3 Ų | 65.3 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.7 | -27.2 | 176.8 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | S2053 K2054 R2061 | S2053-T2057 PolarHBondContact O-N 2.83Å; S2053-T2057 PolarHBondContact O-OG1 2.9Å; K2054-T2057 PolarHBondContact O-OG1 3.38Å; K2054-T2057 VanDerWaalsContact O-OG1 3.05Å; T2057-R2061 WeakPolarHBondContact O-CG 3.31Å; T2057-R2061 PolarHBondContact O-N 3.06Å |
| 2058 | Y | 66.2 | Low | 65.5 | Low | 57 Ų | 57 | 67.6 Ų | 67.6 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -75.3 | -46.7 | 176.9 | -175.1 | -86.5 | 0 | 0 | 0 | 113.1 | F1985 E1989 K2054 R2055 S2056 R2060 R2061 R2062 | F1985-Y2058 HydrophobicContact CE1-CD1 4.46Å; F1985-Y2058 AromaticContact CE1-CE1 3.72Å; F1985-Y2058 HydrophobicContact CE1-CE1 3.72Å; F1985-Y2058 HydrophobicContact CE2-CD1 4.12Å; F1985-Y2058 AromaticContact CE2-CE1 3.78Å; F1985-Y2058 HydrophobicContact CE2-CE1 3.78Å; F1985-Y2058 AromaticContact CZ-CD1 3.54Å; F1985-Y2058 HydrophobicContact CZ-CD1 3.54Å; F1985-Y2058 AromaticContact CZ-CE1 3.11Å; F1985-Y2058 HydrophobicContact CZ-CE1 3.11Å; F1985-Y2058 AromaticContact CZ-CZ 3.9Å; E1989-Y2058 PolarHBondContact OE1-OH 3.18Å; E1989-Y2058 PolarHBondContact OE2-OH 2.91Å; K2054-Y2058 WeakPolarHBondContact O-CB 3.44Å; K2054-Y2058 PolarHBondContact O-N 2.88Å; R2055-Y2058 WeakPolarHBondContact O-CB 3.35Å; R2055-Y2058 PolarHBondContact O-N 3.02Å; S2056-Y2058 PolarHBondContact O-N 2.89Å; Y2058-R2060 VanDerWaalsContact C-N 3.29Å; Y2058-R2060 PolarHBondContact O-N 2.95Å; Y2058-R2061 WeakPolarHBondContact O-CA 2.97Å; Y2058-R2061 WeakPolarHBondContact O-CB 3.14Å; Y2058-R2061 PolarHBondContact O-N 2.81Å; Y2058-R2062 HydrophobicContact CE1-CG 4.03Å; Y2058-R2062 PolarHBondContact O-N 3.3Å; Y2058-R2062 VanDerWaalsContact OH-CZ 3.25Å; Y2058-R2062 PolarHBondContact OH-NE 3.3Å; Y2058-R2062 PolarHBondContact OH-NH2 2.93Å |
| 2059 | C | 69.3 | Low | 67.2 | Low | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58 | -42 | 174.2 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | E2029 D2030 R2055 S2056 R2061 R2062 M2063 | E2029-C2059 PolarHBondContact OE2-SG 2.9Å; D2030-C2059 HydrophobicContact CB-CB 4.49Å; R2055-C2059 PolarHBondContact O-N 3.29Å; R2055-C2059 PolarHBondContact O-SG 2.72Å; R2055-C2059 VanDerWaalsContact O-SG 3.36Å; S2056-C2059 PolarHBondContact O-N 2.67Å; C2059-R2061 VanDerWaalsContact C-N 3.27Å; C2059-R2061 PolarHBondContact O-N 3.41Å; C2059-R2062 PolarHBondContact O-N 3.34Å; C2059-M2063 PolarHBondContact O-N 2.76Å |
| 2060 | R | 74.9 | Confident | 68.6 | Low | 51 Ų | 51 | 57.3 Ų | 57.3 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -21.7 | 173.6 | -61.7 | -173.3 | -134.6 | -168.8 | 8.8 | 113.9 | D2030 Q2034 S2056 Y2058 R2064 | D2030-R2060 IonicContact OD1-CZ 2.66Å; D2030-R2060 IonicContact OD1-NE 3.54Å; D2030-R2060 PolarHBondContact OD1-NE 3.33Å; D2030-R2060 IonicContact OD1-NH2 3.65Å; D2030-R2060 IonicContact OD2-CZ 3.89Å; D2030-R2060 IonicContact OD2-NE 3.95Å; D2030-R2060 PolarHBondContact OD2-NE 3.13Å; D2030-R2060 IonicContact OD2-NH2 3.57Å; Q2034-R2060 VanDerWaalsContact NE2-NH2 3.18Å; S2056-R2060 PolarHBondContact O-N 3.26Å; S2056-R2060 PolarHBondContact OG-NE 3.46Å; S2056-R2060 PolarHBondContact OG-NH2 3.45Å; Y2058-R2060 VanDerWaalsContact C-N 3.29Å; Y2058-R2060 PolarHBondContact O-N 2.95Å; R2060-R2064 WeakPolarHBondContact O-CG 3.37Å; R2060-R2064 PolarHBondContact O-NE 2.68Å; R2060-R2064 PolarHBondContact O-NH2 3.37Å |
| 2061 | R | 71.7 | Confident | 69.9 | Low | 164 Ų | 164 | 58 Ų | 58 | 62% | 0.619 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -75 | -48.6 | 170.1 | -77.7 | 173.7 | -180 | -171.3 | 1.1 | 111.1 | T2057 Y2058 C2059 M2063 R2064 L2065 | T2057-R2061 WeakPolarHBondContact O-CG 3.31Å; T2057-R2061 PolarHBondContact O-N 3.06Å; Y2058-R2061 WeakPolarHBondContact O-CA 2.97Å; Y2058-R2061 WeakPolarHBondContact O-CB 3.14Å; Y2058-R2061 PolarHBondContact O-N 2.81Å; C2059-R2061 VanDerWaalsContact C-N 3.27Å; C2059-R2061 PolarHBondContact O-N 3.41Å; R2061-M2063 PolarHBondContact O-N 2.74Å; R2061-R2064 PolarHBondContact O-N 3.46Å; R2061-L2065 PolarHBondContact O-N 2.75Å; R2061-L2065 VanDerWaalsContact O-N 3.09Å |
| 2062 | R | 70.8 | Confident | 70.9 | Confident | 8 Ų | 8 | 56.1 Ų | 56.1 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -45.3 | 177.2 | -74.7 | -169.2 | 177.4 | 179.5 | 8.3 | 112.1 | F1985 E1989 L2026 Y2058 C2059 R2064 L2065 L2066 | F1985-R2062 VanDerWaalsContact CD1-NH2 3.34Å; F1985-R2062 VanDerWaalsContact O-CZ 3.26Å; F1985-R2062 PolarHBondContact O-NH1 2.95Å; F1985-R2062 PolarHBondContact O-NH2 3.02Å; E1989-R2062 IonicContact OE2-CZ 2.73Å; E1989-R2062 IonicContact OE2-NH2 2.74Å; E1989-R2062 PolarHBondContact OE2-NH2 2.89Å; L2026-R2062 HydrophobicContact CD1-CB 4.49Å; L2026-R2062 HydrophobicContact CD2-CB 4.42Å; Y2058-R2062 HydrophobicContact CE1-CG 4.03Å; Y2058-R2062 PolarHBondContact O-N 3.3Å; Y2058-R2062 VanDerWaalsContact OH-CZ 3.25Å; Y2058-R2062 PolarHBondContact OH-NE 3.3Å; Y2058-R2062 PolarHBondContact OH-NH2 2.93Å; C2059-R2062 PolarHBondContact O-N 3.34Å; R2062-R2064 VanDerWaalsContact C-N 3.32Å; R2062-R2064 PolarHBondContact O-N 3.33Å; R2062-L2065 WeakPolarHBondContact O-CB 3.38Å; R2062-L2065 PolarHBondContact O-N 2.92Å; R2062-L2065 VanDerWaalsContact O-N 3.11Å; R2062-L2066 PolarHBondContact O-N 2.89Å |
| 2063 | M | 78.4 | Confident | 71.4 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -40 | 177.1 | -171.8 | 166.7 | 70.3 | 0 | 0 | 112.4 | L2023 C2059 R2061 L2066 L2067 L2104 T2108 T2116 | L2023-M2063 HydrophobicContact CD2-CG 4.24Å; C2059-M2063 PolarHBondContact O-N 2.76Å; R2061-M2063 PolarHBondContact O-N 2.74Å; M2063-L2066 PolarHBondContact O-N 2.81Å; M2063-L2067 HydrophobicContact CG-CD1 4.06Å; M2063-L2067 WeakPolarHBondContact O-CB 3.33Å; M2063-L2067 WeakPolarHBondContact O-CD1 3.32Å; M2063-L2067 VanDerWaalsContact O-CG 3.22Å; M2063-L2067 WeakPolarHBondContact O-CG 3.46Å; M2063-L2067 PolarHBondContact O-N 2.91Å; M2063-L2104 HydrophobicContact SD-CD1 4.26Å; M2063-L2104 HydrophobicContact SD-CD2 4.42Å; M2063-T2108 HydrophobicContact CE-CG2 3.98Å; M2063-T2116 HydrophobicContact CE-CG2 3.57Å |
| 2064 | R | 79.8 | Confident | 72 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 25% | 0.245 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.6 | -30.7 | 175.7 | -76.2 | 177.7 | -72.7 | -180 | 0.4 | 113.7 | R2060 R2061 R2062 R2068 S2115 T2116 | R2060-R2064 WeakPolarHBondContact O-CG 3.37Å; R2060-R2064 PolarHBondContact O-NE 2.68Å; R2060-R2064 PolarHBondContact O-NH2 3.37Å; R2061-R2064 PolarHBondContact O-N 3.46Å; R2062-R2064 VanDerWaalsContact C-N 3.32Å; R2062-R2064 PolarHBondContact O-N 3.33Å; R2064-R2068 WeakPolarHBondContact O-CD 3.48Å; R2064-R2068 VanDerWaalsContact O-CG 3.23Å; R2064-R2068 WeakPolarHBondContact O-CG 3.32Å; R2064-R2068 PolarHBondContact O-N 2.92Å; R2064-S2115 WeakPolarHBondContact CD-OG 3.41Å; R2064-S2115 PolarHBondContact NH1-OG 3.43Å; R2064-T2116 HydrophobicContact CG-CG2 3.47Å; R2064-T2116 VanDerWaalsContact CG-CG2 3.47Å |
| 2065 | L | 75.4 | Confident | 72.3 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 41% | 0.408 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.2 | -51.3 | 172.1 | -79.2 | 162.5 | 0 | 0 | 0 | 110.8 | I1992 R2061 R2062 L2067 R2068 I2069 | I1992-L2065 HydrophobicContact CG2-CB 4.35Å; R2061-L2065 PolarHBondContact O-N 2.75Å; R2061-L2065 VanDerWaalsContact O-N 3.09Å; R2062-L2065 WeakPolarHBondContact O-CB 3.38Å; R2062-L2065 PolarHBondContact O-N 2.92Å; R2062-L2065 VanDerWaalsContact O-N 3.11Å; L2065-L2067 VanDerWaalsContact C-N 3.35Å; L2065-L2067 PolarHBondContact O-N 3.3Å; L2065-R2068 WeakPolarHBondContact O-CA 3.46Å; L2065-R2068 WeakPolarHBondContact O-CB 3.47Å; L2065-R2068 PolarHBondContact O-N 3.26Å; L2065-I2069 WeakPolarHBondContact O-CG1 3.26Å; L2065-I2069 PolarHBondContact O-N 2.86Å |
| 2066 | L | 77.3 | Confident | 72.4 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | -178.8 | -159.9 | 165.6 | 0 | 0 | 0 | 111.5 | I1943 I1992 L2019 L2023 L2026 R2062 M2063 R2068 I2069 I2070 | I1943-L2066 HydrophobicContact CG2-CD1 3.86Å; I1992-L2066 HydrophobicContact CD1-CD1 4.32Å; L2019-L2066 HydrophobicContact CD2-CD2 3.99Å; L2023-L2066 HydrophobicContact CD1-CD2 4.27Å; L2023-L2066 HydrophobicContact CD2-CD2 4.05Å; L2023-L2066 HydrophobicContact CG-CD2 3.99Å; L2026-L2066 HydrophobicContact CD1-CD1 4.41Å; R2062-L2066 PolarHBondContact O-N 2.89Å; M2063-L2066 PolarHBondContact O-N 2.81Å; L2066-R2068 VanDerWaalsContact C-N 3.32Å; L2066-R2068 PolarHBondContact O-N 3.01Å; L2066-I2069 WeakPolarHBondContact O-CB 3.31Å; L2066-I2069 PolarHBondContact O-N 3.38Å; L2066-I2069 VanDerWaalsContact O-N 3.14Å; L2066-I2070 HydrophobicContact CD2-CD1 3.5Å; L2066-I2070 HydrophobicContact CD2-CG1 4.06Å; L2066-I2070 PolarHBondContact O-N 3.46Å |
| 2067 | L | 81.6 | Confident | 72.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62 | -33.7 | 173.1 | -69.5 | 168.9 | 0 | 0 | 0 | 113.2 | L2023 M2063 L2065 R2071 L2101 L2119 L2120 I2123 | L2023-L2067 HydrophobicContact CD2-CD2 4.37Å; M2063-L2067 HydrophobicContact CG-CD1 4.06Å; M2063-L2067 WeakPolarHBondContact O-CB 3.33Å; M2063-L2067 WeakPolarHBondContact O-CD1 3.32Å; M2063-L2067 VanDerWaalsContact O-CG 3.22Å; M2063-L2067 WeakPolarHBondContact O-CG 3.46Å; M2063-L2067 PolarHBondContact O-N 2.91Å; L2065-L2067 VanDerWaalsContact C-N 3.35Å; L2065-L2067 PolarHBondContact O-N 3.3Å; L2067-R2071 WeakPolarHBondContact O-CB 3.41Å; L2067-R2071 PolarHBondContact O-N 3.21Å; L2067-L2101 HydrophobicContact CD2-CD2 3.55Å; L2067-L2119 HydrophobicContact CB-CD2 4.21Å; L2067-L2120 HydrophobicContact CD1-CD2 3.89Å; L2067-L2120 HydrophobicContact CD1-CG 3.83Å; L2067-L2120 HydrophobicContact CD2-CD2 3.71Å; L2067-L2120 HydrophobicContact CD2-CG 4.49Å; L2067-L2120 HydrophobicContact CG-CD2 4.48Å; L2067-I2123 HydrophobicContact CB-CD1 3.91Å; L2067-I2123 HydrophobicContact CD2-CD1 3.94Å; L2067-I2123 VanDerWaalsContact O-CD1 3.3Å; L2067-I2123 WeakPolarHBondContact O-CD1 3.4Å |
| 2068 | R | 77.8 | Confident | 71.9 | Confident | 149 Ų | 149 | 53.3 Ų | 53.3 | 56% | 0.562 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -69 | -35.2 | 173.4 | -74.2 | 166.7 | 177 | 175.7 | -2.9 | 112.4 | R2064 L2065 L2066 R2072 L2119 | R2064-R2068 WeakPolarHBondContact O-CD 3.48Å; R2064-R2068 VanDerWaalsContact O-CG 3.23Å; R2064-R2068 WeakPolarHBondContact O-CG 3.32Å; R2064-R2068 PolarHBondContact O-N 2.92Å; L2065-R2068 WeakPolarHBondContact O-CA 3.46Å; L2065-R2068 WeakPolarHBondContact O-CB 3.47Å; L2065-R2068 PolarHBondContact O-N 3.26Å; L2066-R2068 VanDerWaalsContact C-N 3.32Å; L2066-R2068 PolarHBondContact O-N 3.01Å; R2068-R2072 WeakPolarHBondContact O-CB 3.44Å; R2068-R2072 PolarHBondContact O-N 3.16Å; R2068-L2119 HydrophobicContact CG-CD1 3.84Å; R2068-L2119 HydrophobicContact CG-CD2 4.48Å |
| 2069 | I | 73.2 | Confident | 71.7 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.056 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.5 | -50.8 | 173.3 | -58.1 | 167.4 | 0 | 0 | 0 | 109.6 | I1992 L1995 T1996 L2065 L2066 R2071 R2072 L2073 | I1992-I2069 HydrophobicContact CG2-CD1 3.95Å; L1995-I2069 HydrophobicContact CD2-CG2 4.01Å; L1995-I2069 HydrophobicContact CG-CG2 4.05Å; T1996-I2069 WeakPolarHBondContact OG1-CD1 3.4Å; L2065-I2069 WeakPolarHBondContact O-CG1 3.26Å; L2065-I2069 PolarHBondContact O-N 2.86Å; L2066-I2069 WeakPolarHBondContact O-CB 3.31Å; L2066-I2069 PolarHBondContact O-N 3.38Å; L2066-I2069 VanDerWaalsContact O-N 3.14Å; I2069-R2071 VanDerWaalsContact C-N 3.31Å; I2069-R2071 PolarHBondContact O-N 3.2Å; I2069-R2072 PolarHBondContact O-N 3.32Å; I2069-L2073 HydrophobicContact CG2-CD1 3.92Å; I2069-L2073 HydrophobicContact CG2-CG 4.33Å; I2069-L2073 WeakPolarHBondContact O-CG 3.41Å; I2069-L2073 PolarHBondContact O-N 3.33Å |
| 2070 | I | 74.9 | Confident | 71.2 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.7 | -48.2 | 176.3 | -69.7 | 172.2 | 0 | 0 | 0 | 110.4 | L2023 L2066 R2072 L2073 V2074 L2097 | L2023-I2070 HydrophobicContact CD1-CD1 3.87Å; L2066-I2070 HydrophobicContact CD2-CD1 3.5Å; L2066-I2070 HydrophobicContact CD2-CG1 4.06Å; L2066-I2070 PolarHBondContact O-N 3.46Å; I2070-R2072 PolarHBondContact O-N 3.25Å; I2070-L2073 PolarHBondContact O-N 3.25Å; I2070-V2074 HydrophobicContact CG2-CG2 4.34Å; I2070-V2074 WeakPolarHBondContact O-CB 3.44Å; I2070-V2074 VanDerWaalsContact O-CG2 3.29Å; I2070-V2074 WeakPolarHBondContact O-CG2 3.13Å; I2070-V2074 PolarHBondContact O-N 2.97Å; I2070-L2097 HydrophobicContact CD1-CD1 4.45Å |
| 2071 | R | 77 | Confident | 70.7 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54.3 | -50.7 | 174.6 | -179.7 | -175 | -175.9 | 148 | 9.7 | 111.6 | L2067 I2069 L2073 V2074 F2075 E2122 I2123 | L2067-R2071 WeakPolarHBondContact O-CB 3.41Å; L2067-R2071 PolarHBondContact O-N 3.21Å; I2069-R2071 VanDerWaalsContact C-N 3.31Å; I2069-R2071 PolarHBondContact O-N 3.2Å; R2071-L2073 PolarHBondContact O-N 3.44Å; R2071-V2074 PolarHBondContact O-N 3.43Å; R2071-F2075 HydrophobicContact CG-CD2 3.63Å; R2071-F2075 HydrophobicContact CG-CE2 3.8Å; R2071-F2075 WeakPolarHBondContact O-CB 3.41Å; R2071-F2075 WeakPolarHBondContact O-CD2 3.25Å; R2071-F2075 PolarHBondContact O-N 3.03Å; R2071-E2122 IonicContact CZ-OE2 3.18Å; R2071-E2122 IonicContact NH1-OE2 3.17Å; R2071-E2122 PolarHBondContact NH1-OE2 3.08Å; R2071-E2122 IonicContact NH2-OE2 2.94Å; R2071-E2122 PolarHBondContact NH2-OE2 2.88Å; R2071-I2123 HydrophobicContact CB-CD1 4.28Å; R2071-I2123 HydrophobicContact CB-CG1 4.17Å |
| 2072 | R | 68.5 | Low | 70.3 | Confident | 119 Ų | 119 | 51.6 Ų | 51.6 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.9 | -42.7 | -176.4 | -164.7 | 173.1 | -177.6 | -175.5 | -4.3 | 111.6 | S2000 R2068 I2069 I2070 F2075 S2076 | S2000-R2072 PolarHBondContact OG-NH1 3.24Å; R2068-R2072 WeakPolarHBondContact O-CB 3.44Å; R2068-R2072 PolarHBondContact O-N 3.16Å; I2069-R2072 PolarHBondContact O-N 3.32Å; I2070-R2072 PolarHBondContact O-N 3.25Å; R2072-F2075 PolarHBondContact O-N 3.47Å; R2072-S2076 WeakPolarHBondContact O-CB 3.37Å; R2072-S2076 PolarHBondContact O-N 2.8Å; R2072-S2076 PolarHBondContact O-OG 2.65Å |
| 2073 | L | 66.6 | Low | 69.7 | Low | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.079 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 175.4 | -66.6 | 173 | 0 | 0 | 0 | 112.5 | A1999 A2010 L2011 I2069 I2070 R2071 S2076 | A1999-L2073 HydrophobicContact CB-CD2 4.27Å; A2010-L2073 HydrophobicContact CB-CD1 4.36Å; A2010-L2073 HydrophobicContact CB-CD2 4.28Å; L2011-L2073 HydrophobicContact CD1-CB 3.95Å; I2069-L2073 HydrophobicContact CG2-CD1 3.92Å; I2069-L2073 HydrophobicContact CG2-CG 4.33Å; I2069-L2073 WeakPolarHBondContact O-CG 3.41Å; I2069-L2073 PolarHBondContact O-N 3.33Å; I2070-L2073 PolarHBondContact O-N 3.25Å; R2071-L2073 PolarHBondContact O-N 3.44Å; L2073-S2076 PolarHBondContact O-N 3.49Å |
| 2074 | V | 69.3 | Low | 68.8 | Low | 15 Ų | 15 | 57.6 Ų | 57.6 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.1 | -28.2 | 176.9 | 172.4 | 0 | 0 | 0 | 0 | 112.7 | I2070 R2071 L2084 L2127 | I2070-V2074 HydrophobicContact CG2-CG2 4.34Å; I2070-V2074 WeakPolarHBondContact O-CB 3.44Å; I2070-V2074 VanDerWaalsContact O-CG2 3.29Å; I2070-V2074 WeakPolarHBondContact O-CG2 3.13Å; I2070-V2074 PolarHBondContact O-N 2.97Å; R2071-V2074 PolarHBondContact O-N 3.43Å; V2074-L2084 HydrophobicContact CG2-CD1 3.68Å; V2074-L2127 HydrophobicContact CG1-CD2 4.25Å |
| 2075 | F | 68.8 | Low | 67.8 | Low | 125 Ų | 125 | 57.3 Ų | 57.3 | 55% | 0.548 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -79.3 | -30.6 | 174 | -97.5 | -86.8 | 0 | 0 | 0 | 113.6 | R2071 R2072 L2126 | R2071-F2075 HydrophobicContact CG-CD2 3.63Å; R2071-F2075 HydrophobicContact CG-CE2 3.8Å; R2071-F2075 WeakPolarHBondContact O-CB 3.41Å; R2071-F2075 WeakPolarHBondContact O-CD2 3.25Å; R2071-F2075 PolarHBondContact O-N 3.03Å; R2072-F2075 PolarHBondContact O-N 3.47Å; F2075-L2126 HydrophobicContact CD2-CD1 4.25Å; F2075-L2126 HydrophobicContact CE2-CD1 3.32Å; F2075-L2126 HydrophobicContact CZ-CD1 3.71Å; F2075-L2126 HydrophobicContact CZ-CD2 4.31Å |
| 2076 | S | 62.7 | Low | 67.1 | Low | 51 Ų | 51 | 57.1 Ų | 57.1 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -80.5 | -23.2 | -173.5 | -76.5 | 0 | 0 | 0 | 0 | 115 | R2072 L2073 | R2072-S2076 WeakPolarHBondContact O-CB 3.37Å; R2072-S2076 PolarHBondContact O-N 2.8Å; R2072-S2076 PolarHBondContact O-OG 2.65Å; L2073-S2076 PolarHBondContact O-N 3.49Å |
| 2077 | D | 62.7 | Low | 66 | Low | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | trans | -140 | 115.1 | -174.4 | -169.4 | -22.6 | 0 | 0 | 0 | 112.4 | S2007 R2008 V2079 C2080 R2081 | S2007-D2077 WeakPolarHBondContact CB-OD2 3.32Å; S2007-D2077 WeakPolarHBondContact OG-CB 3.21Å; S2007-D2077 PolarHBondContact OG-OD2 3.07Å; R2008-D2077 WeakPolarHBondContact CG-OD2 3.3Å; R2008-D2077 IonicContact NE-OD2 3.75Å; D2077-V2079 PolarHBondContact O-N 2.94Å; D2077-V2079 WeakPolarHBondContact OD1-CA 3.3Å; D2077-V2079 VanDerWaalsContact OD1-CB 3.25Å; D2077-V2079 WeakPolarHBondContact OD1-CB 3.31Å; D2077-V2079 WeakPolarHBondContact OD1-CG2 3.34Å; D2077-V2079 PolarHBondContact OD1-N 3.28Å; D2077-C2080 HydrophobicContact CB-CB 4.15Å; D2077-C2080 WeakPolarHBondContact O-CB 3.22Å; D2077-C2080 PolarHBondContact O-N 3.49Å; D2077-C2080 VanDerWaalsContact O-N 3.14Å; D2077-R2081 PolarHBondContact O-N 3.4Å | ||
| 2078 | P | 64.1 | Low | 64.6 | Low | 104 Ų | 104 | 61.2 Ų | 61.2 | 68% | 0.675 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.9 | -20.3 | 178.5 | 28.2 | -34.7 | 0 | 0 | 0 | 113.4 | R2081 S2082 | P2078-R2081 PolarHBondContact O-N 3.15Å; P2078-S2082 PolarHBondContact O-N 2.89Å; P2078-S2082 VanDerWaalsContact O-N 3.08Å |
| 2079 | V | 61.6 | Low | 63.3 | Low | 58 Ų | 58 | 60.4 Ų | 60.4 | 35% | 0.352 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -74.9 | -31.4 | 175.3 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | D2077 R2081 S2082 R2083 | D2077-V2079 PolarHBondContact O-N 2.94Å; D2077-V2079 WeakPolarHBondContact OD1-CA 3.3Å; D2077-V2079 VanDerWaalsContact OD1-CB 3.25Å; D2077-V2079 WeakPolarHBondContact OD1-CB 3.31Å; D2077-V2079 WeakPolarHBondContact OD1-CG2 3.34Å; D2077-V2079 PolarHBondContact OD1-N 3.28Å; V2079-R2081 VanDerWaalsContact C-N 3.34Å; V2079-S2082 PolarHBondContact O-OG 2.73Å; V2079-R2083 WeakPolarHBondContact O-CB 3.31Å; V2079-R2083 VanDerWaalsContact O-CG 3.31Å; V2079-R2083 WeakPolarHBondContact O-CG 3.26Å; V2079-R2083 PolarHBondContact O-N 2.71Å |
| 2080 | C | 59 | Low | 62.2 | Low | 6 Ų | 6 | 62.5 Ų | 62.5 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 171 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | L2011 D2077 L2084 | L2011-C2080 HydrophobicContact CD1-CB 3.78Å; D2077-C2080 HydrophobicContact CB-CB 4.15Å; D2077-C2080 WeakPolarHBondContact O-CB 3.22Å; D2077-C2080 PolarHBondContact O-N 3.49Å; D2077-C2080 VanDerWaalsContact O-N 3.14Å; C2080-L2084 PolarHBondContact O-N 2.96Å; C2080-L2084 VanDerWaalsContact O-N 3.17Å |
| 2081 | R | 63.6 | Low | 60.5 | Low | 111 Ų | 111 | 71.5 Ų | 71.5 | 42% | 0.419 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.7 | -52.7 | 174.6 | -167.2 | 179.2 | -172.2 | -177.2 | 3.5 | 111.8 | D2077 P2078 V2079 R2083 L2084 D2085 L2126 | D2077-R2081 PolarHBondContact O-N 3.4Å; P2078-R2081 PolarHBondContact O-N 3.15Å; V2079-R2081 VanDerWaalsContact C-N 3.34Å; R2081-R2083 VanDerWaalsContact C-N 3.28Å; R2081-R2083 PolarHBondContact O-N 3.03Å; R2081-L2084 PolarHBondContact O-N 2.98Å; R2081-L2084 VanDerWaalsContact O-N 3.08Å; R2081-D2085 VanDerWaalsContact O-CG 3.31Å; R2081-D2085 PolarHBondContact O-N 3.2Å; R2081-L2126 PolarHBondContact NH2-O 3.23Å |
| 2082 | S | 62.8 | Low | 58.8 | Low | 63 Ų | 63 | 76.9 Ų | 76.9 | 44% | 0.441 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -63.9 | -30.1 | -178.4 | 64.5 | 0 | 0 | 0 | 0 | 113.8 | P2078 V2079 S2086 | P2078-S2082 PolarHBondContact O-N 2.89Å; P2078-S2082 VanDerWaalsContact O-N 3.08Å; V2079-S2082 PolarHBondContact O-OG 2.73Å; S2082-S2086 WeakPolarHBondContact O-CB 3.42Å; S2082-S2086 PolarHBondContact O-N 3.03Å; S2082-S2086 PolarHBondContact O-OG 3.36Å |
| 2083 | R | 59.4 | Low | 57.3 | Low | 128 Ų | 128 | 74.5 Ų | 74.5 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.2 | -34.5 | 172.6 | -74.4 | 176.6 | 173.2 | -170.8 | -1.8 | 113.5 | V2079 R2081 S2086 T2087 | V2079-R2083 WeakPolarHBondContact O-CB 3.31Å; V2079-R2083 VanDerWaalsContact O-CG 3.31Å; V2079-R2083 WeakPolarHBondContact O-CG 3.26Å; V2079-R2083 PolarHBondContact O-N 2.71Å; R2081-R2083 VanDerWaalsContact C-N 3.28Å; R2081-R2083 PolarHBondContact O-N 3.03Å; R2083-S2086 WeakPolarHBondContact CA-OG 3.12Å; R2083-S2086 PolarHBondContact O-OG 2.92Å; R2083-T2087 PolarHBondContact O-N 3.29Å; R2083-T2087 PolarHBondContact O-OG1 2.92Å |
| 2084 | L | 59.3 | Low | 56.3 | Low | 14 Ų | 14 | 82 Ų | 82 | 7% | 0.073 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -71.3 | -40.3 | 172.2 | -79 | 162.1 | 0 | 0 | 0 | 111 | V2074 C2080 R2081 S2086 T2087 A2088 L2097 L2127 | V2074-L2084 HydrophobicContact CG2-CD1 3.68Å; C2080-L2084 PolarHBondContact O-N 2.96Å; C2080-L2084 VanDerWaalsContact O-N 3.17Å; R2081-L2084 PolarHBondContact O-N 2.98Å; R2081-L2084 VanDerWaalsContact O-N 3.08Å; L2084-S2086 VanDerWaalsContact C-N 3.33Å; L2084-S2086 PolarHBondContact O-N 3.24Å; L2084-T2087 WeakPolarHBondContact CA-OG1 3.31Å; L2084-T2087 PolarHBondContact O-N 3.03Å; L2084-T2087 PolarHBondContact O-OG1 2.76Å; L2084-T2087 VanDerWaalsContact O-OG1 3.14Å; L2084-A2088 WeakPolarHBondContact O-CB 3.42Å; L2084-A2088 PolarHBondContact O-N 3.2Å; L2084-L2097 HydrophobicContact CD2-CD2 4.2Å; L2084-L2127 HydrophobicContact CB-CD2 4.15Å; L2084-L2127 HydrophobicContact CD1-CD2 4.46Å |
| 2085 | D | 59.2 | Low | 55.5 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 32% | 0.316 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 173.2 | -62.2 | -29.4 | 0 | 0 | 0 | 111.4 | R2081 T2087 A2088 N2089 | R2081-D2085 VanDerWaalsContact O-CG 3.31Å; R2081-D2085 PolarHBondContact O-N 3.2Å; D2085-T2087 VanDerWaalsContact C-N 3.35Å; D2085-T2087 PolarHBondContact O-N 3.09Å; D2085-A2088 PolarHBondContact O-N 2.83Å; D2085-N2089 PolarHBondContact O-N 2.7Å; D2085-N2089 PolarHBondContact O-ND2 3.02Å |
| 2086 | S | 59.5 | Low | 55.2 | Low | 74 Ų | 74 | 78.8 Ų | 78.8 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -68.2 | -31.2 | 177 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | S2082 R2083 L2084 | S2082-S2086 WeakPolarHBondContact O-CB 3.42Å; S2082-S2086 PolarHBondContact O-N 3.03Å; S2082-S2086 PolarHBondContact O-OG 3.36Å; R2083-S2086 WeakPolarHBondContact CA-OG 3.12Å; R2083-S2086 PolarHBondContact O-OG 2.92Å; L2084-S2086 VanDerWaalsContact C-N 3.33Å; L2084-S2086 PolarHBondContact O-N 3.24Å |
| 2087 | T | 54.1 | Low | 55.5 | Low | 58 Ų | 58 | 76.6 Ų | 76.6 | 36% | 0.356 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -88.5 | -15.1 | 178.5 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | R2083 L2084 D2085 N2089 N2096 | R2083-T2087 PolarHBondContact O-N 3.29Å; R2083-T2087 PolarHBondContact O-OG1 2.92Å; L2084-T2087 WeakPolarHBondContact CA-OG1 3.31Å; L2084-T2087 PolarHBondContact O-N 3.03Å; L2084-T2087 PolarHBondContact O-OG1 2.76Å; L2084-T2087 VanDerWaalsContact O-OG1 3.14Å; D2085-T2087 VanDerWaalsContact C-N 3.35Å; D2085-T2087 PolarHBondContact O-N 3.09Å; T2087-N2089 VanDerWaalsContact C-N 3.34Å; T2087-N2096 PolarHBondContact O-ND2 3.44Å |
| 2088 | A | 51.6 | Low | 56 | Low | 29 Ų | 29 | 77.5 Ų | 77.5 | 24% | 0.24 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -74.9 | -22.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113 | L2084 D2085 F2098 | L2084-A2088 WeakPolarHBondContact O-CB 3.42Å; L2084-A2088 PolarHBondContact O-N 3.2Å; D2085-A2088 PolarHBondContact O-N 2.83Å; A2088-F2098 HydrophobicContact CB-CB 4.27Å; A2088-F2098 HydrophobicContact CB-CD1 3.61Å; A2088-F2098 HydrophobicContact CB-CD2 4.42Å; A2088-F2098 HydrophobicContact CB-CE1 3.89Å; A2088-F2098 HydrophobicContact CB-CG 3.88Å; A2088-F2098 HydrophobicContact CB-CZ 4.41Å |
| 2089 | N | 51.6 | Low | 56.3 | Low | 133 Ų | 133 | 75.6 Ų | 75.6 | 71% | 0.711 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -93.9 | -6.3 | -176.5 | -75.6 | -57.9 | 0 | 0 | 0 | 114.8 | D2085 T2087 | D2085-N2089 PolarHBondContact O-N 2.7Å; D2085-N2089 PolarHBondContact O-ND2 3.02Å; T2087-N2089 VanDerWaalsContact C-N 3.34Å |
| 2090 | S | 49.9 | Very low | 56.8 | Low | 54 Ų | 54 | 73.1 Ų | 73.1 | 38% | 0.378 | 39% | 0.392 | S | S | . | . | trans | -89.2 | 108.5 | 179.3 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | K2092 | S2090-K2092 PolarHBondContact O-N 2.66Š| ||
| 2091 | M | 38.8 | Very low | 57.8 | Low | 197 Ų | 197 | 73 Ų | 73 | 97% | 0.97 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 27.4 | -178.2 | -74 | -174.3 | 156 | 0 | 0 | 115.8 | ||
| 2092 | K | 41.8 | Very low | 58.5 | Low | 195 Ų | 195 | 72.6 Ų | 72.6 | 85% | 0.848 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.6 | 1.6 | -171.7 | -74.8 | -169.4 | 175 | -177.5 | 0 | 116.8 | S2090 | S2090-K2092 PolarHBondContact O-N 2.66Š|
| 2093 | C | 37.7 | Very low | 59.2 | Low | 69 Ų | 69 | 74.2 Ų | 74.2 | 47% | 0.466 | 39% | 0.389 | S | S | . | . | trans | -119 | 111.7 | -177.1 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | S2095 | C2093-S2095 PolarHBondContact O-N 2.66Š| ||
| 2094 | N | 45 | Very low | 60 | Low | 171 Ų | 171 | 68.2 Ų | 68.2 | 91% | 0.914 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 5.3 | -175.2 | -69.6 | -11.4 | 0 | 0 | 0 | 115 | ||
| 2095 | S | 52.3 | Low | 60.9 | Low | 56 Ų | 56 | 68.8 Ų | 68.8 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.4 | 8.3 | -164.5 | 54.8 | 0 | 0 | 0 | 0 | 115.3 | S2020 C2093 | S2020-S2095 PolarHBondContact OG-O 2.99Å; C2093-S2095 PolarHBondContact O-N 2.66Å |
| 2096 | N | 62.2 | Low | 61.8 | Low | 17 Ų | 17 | 69.4 Ų | 69.4 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | trans | -73.7 | 140 | -172.2 | 57.9 | -0.9 | 0 | 0 | 0 | 113.5 | T2087 F2098 T2099 T2100 | T2087-N2096 PolarHBondContact O-ND2 3.44Å; N2096-F2098 PolarHBondContact O-N 3.08Å; N2096-T2099 PolarHBondContact O-N 3.25Å; N2096-T2099 PolarHBondContact O-OG1 3.03Å; N2096-T2099 WeakPolarHBondContact OD1-CB 3.47Å; N2096-T2099 WeakPolarHBondContact OD1-CG2 3.46Å; N2096-T2099 PolarHBondContact OD1-OG1 2.68Å; N2096-T2100 PolarHBondContact O-N 3.01Å | ||
| 2097 | L | 69.8 | Low | 62.5 | Low | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -49 | -33.2 | -174.3 | -174.6 | 65 | 0 | 0 | 0 | 114.7 | L2019 L2023 I2070 L2084 T2100 L2101 | L2019-L2097 HydrophobicContact CB-CD1 4.43Å; L2023-L2097 HydrophobicContact CD1-CD1 3.78Å; I2070-L2097 HydrophobicContact CD1-CD1 4.45Å; L2084-L2097 HydrophobicContact CD2-CD2 4.2Å; L2097-T2100 PolarHBondContact O-N 3.48Å; L2097-L2101 HydrophobicContact CG-CD1 4.28Å; L2097-L2101 WeakPolarHBondContact O-CG 3.12Å; L2097-L2101 PolarHBondContact O-N 3.08Å |
| 2098 | F | 71.9 | Confident | 63.1 | Low | 25 Ų | 25 | 64.5 Ų | 64.5 | 11% | 0.11 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.4 | -36.6 | 177.7 | -178 | -111.2 | 0 | 0 | 0 | 113.9 | A2088 N2096 K2102 L2127 | A2088-F2098 HydrophobicContact CB-CB 4.27Å; A2088-F2098 HydrophobicContact CB-CD1 3.61Å; A2088-F2098 HydrophobicContact CB-CD2 4.42Å; A2088-F2098 HydrophobicContact CB-CE1 3.89Å; A2088-F2098 HydrophobicContact CB-CG 3.88Å; A2088-F2098 HydrophobicContact CB-CZ 4.41Å; N2096-F2098 PolarHBondContact O-N 3.08Å; F2098-K2102 HydrophobicContact CE1-CD 4.2Å; F2098-K2102 HydrophobicContact CZ-CD 4.42Å; F2098-K2102 VanDerWaalsContact CZ-CE 3.44Å; F2098-K2102 PolarHBondContact O-N 2.97Å; F2098-K2102 VanDerWaalsContact O-N 3.16Å; F2098-L2127 HydrophobicContact CD2-CB 4.12Å; F2098-L2127 HydrophobicContact CD2-CD1 4.44Å; F2098-L2127 HydrophobicContact CE2-CB 3.91Å |
| 2099 | T | 70.8 | Confident | 64 | Low | 65 Ų | 65 | 69.1 Ų | 69.1 | 40% | 0.399 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -73.3 | -36.9 | 175.7 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | N2096 L2101 K2102 Y2103 | N2096-T2099 PolarHBondContact O-N 3.25Å; N2096-T2099 PolarHBondContact O-OG1 3.03Å; N2096-T2099 WeakPolarHBondContact OD1-CB 3.47Å; N2096-T2099 WeakPolarHBondContact OD1-CG2 3.46Å; N2096-T2099 PolarHBondContact OD1-OG1 2.68Å; T2099-L2101 PolarHBondContact O-N 3.36Å; T2099-K2102 PolarHBondContact O-N 3.3Å; T2099-Y2103 WeakPolarHBondContact O-CB 3.44Å; T2099-Y2103 PolarHBondContact O-N 3.19Å |
| 2100 | T | 73.4 | Confident | 64.6 | Low | 6 Ų | 6 | 73.1 Ų | 73.1 | 4% | 0.037 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.7 | -46 | 169.7 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | S2020 L2023 L2024 N2096 L2097 K2102 Y2103 L2104 | S2020-T2100 WeakPolarHBondContact CB-OG1 3.38Å; L2023-T2100 HydrophobicContact CB-CG2 3.84Å; L2023-T2100 HydrophobicContact CD1-CG2 4.48Å; L2024-T2100 HydrophobicContact CD2-CG2 3.94Å; L2024-T2100 HydrophobicContact CG-CG2 3.86Å; N2096-T2100 PolarHBondContact O-N 3.01Å; L2097-T2100 PolarHBondContact O-N 3.48Å; T2100-K2102 VanDerWaalsContact C-N 3.34Å; T2100-K2102 PolarHBondContact O-N 3.2Å; T2100-Y2103 PolarHBondContact O-N 3.27Å; T2100-L2104 HydrophobicContact CG2-CD1 4.21Å; T2100-L2104 HydrophobicContact CG2-CG 4.41Å; T2100-L2104 WeakPolarHBondContact O-CB 3.36Å; T2100-L2104 WeakPolarHBondContact O-CG 3.05Å; T2100-L2104 PolarHBondContact O-N 3.47Å |
| 2101 | L | 79.3 | Confident | 65.1 | Low | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62 | -39.3 | 177.5 | -72.8 | 166.8 | 0 | 0 | 0 | 112.2 | L2023 L2067 L2097 T2099 L2105 L2120 I2123 L2127 | L2023-L2101 HydrophobicContact CD1-CD2 4.34Å; L2067-L2101 HydrophobicContact CD2-CD2 3.55Å; L2097-L2101 HydrophobicContact CG-CD1 4.28Å; L2097-L2101 WeakPolarHBondContact O-CG 3.12Å; L2097-L2101 PolarHBondContact O-N 3.08Å; T2099-L2101 PolarHBondContact O-N 3.36Å; L2101-L2105 WeakPolarHBondContact O-CB 3.43Å; L2101-L2105 PolarHBondContact O-N 3.45Å; L2101-L2120 HydrophobicContact CD2-CD2 3.77Å; L2101-I2123 HydrophobicContact CD1-CG2 4.03Å; L2101-L2127 HydrophobicContact CD1-CD1 4.07Å |
| 2102 | K | 77.7 | Confident | 65.9 | Low | 102 Ų | 102 | 66.8 Ų | 66.8 | 44% | 0.443 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 172.6 | -77.4 | -176.5 | 173.2 | 179.5 | 0 | 113 | F2098 T2099 T2100 L2105 V2106 | F2098-K2102 HydrophobicContact CE1-CD 4.2Å; F2098-K2102 HydrophobicContact CZ-CD 4.42Å; F2098-K2102 VanDerWaalsContact CZ-CE 3.44Å; F2098-K2102 PolarHBondContact O-N 2.97Å; F2098-K2102 VanDerWaalsContact O-N 3.16Å; T2099-K2102 PolarHBondContact O-N 3.3Å; T2100-K2102 VanDerWaalsContact C-N 3.34Å; T2100-K2102 PolarHBondContact O-N 3.2Å; K2102-L2105 PolarHBondContact O-N 3.41Å; K2102-V2106 PolarHBondContact O-N 3.38Å; K2102-V2106 VanDerWaalsContact O-N 3.15Å |
| 2103 | Y | 78 | Confident | 67.1 | Low | 98 Ų | 98 | 58.5 Ų | 58.5 | 38% | 0.384 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 177.7 | 178.7 | -109.1 | 0 | 0 | 0 | 111.5 | L2024 T2099 T2100 L2105 V2106 I2107 | L2024-Y2103 HydrophobicContact CD2-CD1 3.51Å; L2024-Y2103 HydrophobicContact CD2-CE1 3.71Å; T2099-Y2103 WeakPolarHBondContact O-CB 3.44Å; T2099-Y2103 PolarHBondContact O-N 3.19Å; T2100-Y2103 PolarHBondContact O-N 3.27Å; Y2103-L2105 VanDerWaalsContact C-N 3.34Å; Y2103-L2105 PolarHBondContact O-N 2.98Å; Y2103-V2106 PolarHBondContact O-N 3.25Å; Y2103-I2107 HydrophobicContact CD1-CD1 3.79Å; Y2103-I2107 HydrophobicContact CD2-CD1 4.4Å; Y2103-I2107 HydrophobicContact CE1-CD1 3.33Å; Y2103-I2107 HydrophobicContact CE2-CD1 4Å; Y2103-I2107 HydrophobicContact CG-CD1 4.31Å; Y2103-I2107 VanDerWaalsContact CZ-CD1 3.46Å; Y2103-I2107 PolarHBondContact O-N 3.29Å |
| 2104 | L | 75.3 | Confident | 68.9 | Low | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 174.1 | -70.1 | 180 | 0 | 0 | 0 | 112.3 | L2023 A2027 M2063 T2100 V2106 I2107 T2108 L2120 | L2023-L2104 HydrophobicContact CB-CD1 4.01Å; L2023-L2104 HydrophobicContact CD2-CD1 3.89Å; L2023-L2104 HydrophobicContact CG-CD1 4.38Å; A2027-L2104 HydrophobicContact CB-CD2 3.38Å; M2063-L2104 HydrophobicContact SD-CD1 4.26Å; M2063-L2104 HydrophobicContact SD-CD2 4.42Å; T2100-L2104 HydrophobicContact CG2-CD1 4.21Å; T2100-L2104 HydrophobicContact CG2-CG 4.41Å; T2100-L2104 WeakPolarHBondContact O-CB 3.36Å; T2100-L2104 WeakPolarHBondContact O-CG 3.05Å; T2100-L2104 PolarHBondContact O-N 3.47Å; L2104-V2106 VanDerWaalsContact C-N 3.31Å; L2104-V2106 PolarHBondContact O-N 3.44Å; L2104-I2107 PolarHBondContact O-N 2.92Å; L2104-T2108 WeakPolarHBondContact O-CG2 3.46Å; L2104-T2108 PolarHBondContact O-N 3.24Å; L2104-T2108 PolarHBondContact O-OG1 3.44Å; L2104-L2120 HydrophobicContact CB-CD1 3.97Å; L2104-L2120 HydrophobicContact CB-CD2 4.06Å |
| 2105 | L | 80.3 | Confident | 70.3 | Confident | 26 Ų | 26 | 53.1 Ų | 53.1 | 14% | 0.136 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 175.9 | -177.9 | 62.5 | 0 | 0 | 0 | 112.1 | L2101 K2102 Y2103 Q2109 L2120 K2121 T2124 | L2101-L2105 WeakPolarHBondContact O-CB 3.43Å; L2101-L2105 PolarHBondContact O-N 3.45Å; K2102-L2105 PolarHBondContact O-N 3.41Å; Y2103-L2105 VanDerWaalsContact C-N 3.34Å; Y2103-L2105 PolarHBondContact O-N 2.98Å; L2105-Q2109 WeakPolarHBondContact O-CB 2.95Å; L2105-Q2109 WeakPolarHBondContact O-CG 3.2Å; L2105-Q2109 PolarHBondContact O-N 3.31Å; L2105-L2120 HydrophobicContact CB-CB 4.45Å; L2105-L2120 HydrophobicContact CD1-CB 3.98Å; L2105-K2121 HydrophobicContact CD1-CB 4.39Å; L2105-T2124 HydrophobicContact CD2-CG2 4.36Å |
| 2106 | V | 76.5 | Confident | 71.3 | Confident | 72 Ų | 72 | 50.5 Ų | 50.5 | 44% | 0.436 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69 | -36.7 | 175.7 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | K2102 Y2103 L2104 R2110 | K2102-V2106 PolarHBondContact O-N 3.38Å; K2102-V2106 VanDerWaalsContact O-N 3.15Å; Y2103-V2106 PolarHBondContact O-N 3.25Å; L2104-V2106 VanDerWaalsContact C-N 3.31Å; L2104-V2106 PolarHBondContact O-N 3.44Å; V2106-R2110 WeakPolarHBondContact O-CG 3.24Å |
| 2107 | I | 73.6 | Confident | 72.1 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.6 | -47.6 | 177.3 | -73.1 | 168.3 | 0 | 0 | 0 | 111.6 | Y2103 L2104 Q2109 R2110 S2111 | Y2103-I2107 HydrophobicContact CD1-CD1 3.79Å; Y2103-I2107 HydrophobicContact CD2-CD1 4.4Å; Y2103-I2107 HydrophobicContact CE1-CD1 3.33Å; Y2103-I2107 HydrophobicContact CE2-CD1 4Å; Y2103-I2107 HydrophobicContact CG-CD1 4.31Å; Y2103-I2107 VanDerWaalsContact CZ-CD1 3.46Å; Y2103-I2107 PolarHBondContact O-N 3.29Å; L2104-I2107 PolarHBondContact O-N 2.92Å; I2107-Q2109 VanDerWaalsContact C-N 3.26Å; I2107-Q2109 PolarHBondContact O-N 3.2Å; I2107-R2110 WeakPolarHBondContact O-CA 3.45Å; I2107-R2110 WeakPolarHBondContact O-CB 3.33Å; I2107-R2110 PolarHBondContact O-N 3.5Å; I2107-S2111 PolarHBondContact O-N 2.83Å; I2107-S2111 VanDerWaalsContact O-N 3.11Å; I2107-S2111 PolarHBondContact O-OG 3.01Å |
| 2108 | T | 67.5 | Low | 72.7 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.4 | -26.5 | -177.4 | 61 | 0 | 0 | 0 | 0 | 112.7 | M2063 L2104 R2110 S2111 A2112 S2117 L2120 | M2063-T2108 HydrophobicContact CE-CG2 3.98Å; L2104-T2108 WeakPolarHBondContact O-CG2 3.46Å; L2104-T2108 PolarHBondContact O-N 3.24Å; L2104-T2108 PolarHBondContact O-OG1 3.44Å; T2108-R2110 VanDerWaalsContact C-N 3.28Å; T2108-R2110 PolarHBondContact O-N 3.15Å; T2108-S2111 PolarHBondContact O-N 2.89Å; T2108-A2112 PolarHBondContact O-N 3.28Å; T2108-S2117 WeakPolarHBondContact CB-OG 3.15Å; T2108-S2117 PolarHBondContact O-OG 2.85Å; T2108-S2117 PolarHBondContact OG1-OG 3.38Å; T2108-L2120 HydrophobicContact CG2-CD1 3.82Å; T2108-L2120 WeakPolarHBondContact OG1-CD1 3.2Å |
| 2109 | Q | 71.6 | Confident | 73 | Confident | 125 Ų | 125 | 56.4 Ų | 56.4 | 58% | 0.584 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.3 | -29 | 168.7 | -77.2 | 172.7 | 4.7 | 0 | 0 | 112.9 | L2105 I2107 | L2105-Q2109 WeakPolarHBondContact O-CB 2.95Å; L2105-Q2109 WeakPolarHBondContact O-CG 3.2Å; L2105-Q2109 PolarHBondContact O-N 3.31Å; I2107-Q2109 VanDerWaalsContact C-N 3.26Å; I2107-Q2109 PolarHBondContact O-N 3.2Å |
| 2110 | R | 62.9 | Low | 73.5 | Confident | 217 Ų | 217 | 53.3 Ų | 53.3 | 82% | 0.819 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -83.9 | -26.8 | 175.7 | -68 | 176.3 | 178.2 | -171.9 | -1.2 | 113.4 | V2106 I2107 T2108 | V2106-R2110 WeakPolarHBondContact O-CG 3.24Å; I2107-R2110 WeakPolarHBondContact O-CA 3.45Å; I2107-R2110 WeakPolarHBondContact O-CB 3.33Å; I2107-R2110 PolarHBondContact O-N 3.5Å; T2108-R2110 VanDerWaalsContact C-N 3.28Å; T2108-R2110 PolarHBondContact O-N 3.15Å |
| 2111 | S | 61 | Low | 73.8 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 19% | 0.189 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 14.6 | -179.1 | 64.4 | 0 | 0 | 0 | 0 | 115.1 | I2107 T2108 D2113 | I2107-S2111 PolarHBondContact O-N 2.83Å; I2107-S2111 VanDerWaalsContact O-N 3.11Å; I2107-S2111 PolarHBondContact O-OG 3.01Å; T2108-S2111 PolarHBondContact O-N 2.89Å; S2111-D2113 PolarHBondContact O-N 3.26Å |
| 2112 | A | 55.4 | Low | 73.8 | Confident | 92 Ų | 92 | 61 Ų | 61 | 76% | 0.76 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 13.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | T2108 A2114 | T2108-A2112 PolarHBondContact O-N 3.28Å; A2112-A2114 PolarHBondContact O-N 2.96Å; A2112-A2114 VanDerWaalsContact O-N 3.08Å |
| 2113 | D | 67.7 | Low | 73.7 | Confident | 21 Ų | 21 | 56.3 Ų | 56.3 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | trans | -80.4 | 92.8 | 172.1 | -179.1 | 3.9 | 0 | 0 | 0 | 110.9 | S2111 S2115 T2116 S2117 | S2111-D2113 PolarHBondContact O-N 3.26Å; D2113-S2115 PolarHBondContact O-N 2.96Å; D2113-S2115 WeakPolarHBondContact OD1-CA 3.21Å; D2113-S2115 WeakPolarHBondContact OD1-CB 3.4Å; D2113-S2115 PolarHBondContact OD1-N 3.44Å; D2113-S2115 PolarHBondContact OD1-OG 2.98Å; D2113-T2116 VanDerWaalsContact CB-OG1 3.3Å; D2113-T2116 WeakPolarHBondContact CB-OG1 3.3Å; D2113-T2116 PolarHBondContact O-OG1 2.95Å; D2113-T2116 PolarHBondContact OD1-N 2.89Å; D2113-T2116 WeakPolarHBondContact OD2-CB 3.46Å; D2113-T2116 WeakPolarHBondContact OD2-CG2 3.48Å; D2113-T2116 PolarHBondContact OD2-OG1 2.93Å; D2113-S2117 VanDerWaalsContact O-CB 3.28Å; D2113-S2117 WeakPolarHBondContact O-CB 3.38Å; D2113-S2117 PolarHBondContact O-N 3.3Å; D2113-S2117 PolarHBondContact O-OG 3.08Å | ||
| 2114 | A | 74.3 | Confident | 73.7 | Confident | 78 Ų | 78 | 52.3 Ų | 52.3 | 65% | 0.645 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -58.6 | -24.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | A2112 K2118 | A2112-A2114 PolarHBondContact O-N 2.96Å; A2112-A2114 VanDerWaalsContact O-N 3.08Å; A2114-K2118 VanDerWaalsContact O-CB 3.28Å; A2114-K2118 WeakPolarHBondContact O-CB 3.32Å; A2114-K2118 PolarHBondContact O-N 2.82Å |
| 2115 | S | 74.2 | Confident | 73.8 | Confident | 48 Ų | 48 | 56 Ų | 56 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -83.8 | -37.3 | -173.8 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | R2064 D2113 L2119 | R2064-S2115 WeakPolarHBondContact CD-OG 3.41Å; R2064-S2115 PolarHBondContact NH1-OG 3.43Å; D2113-S2115 PolarHBondContact O-N 2.96Å; D2113-S2115 WeakPolarHBondContact OD1-CA 3.21Å; D2113-S2115 WeakPolarHBondContact OD1-CB 3.4Å; D2113-S2115 PolarHBondContact OD1-N 3.44Å; D2113-S2115 PolarHBondContact OD1-OG 2.98Å; S2115-L2119 PolarHBondContact O-N 2.89Å |
| 2116 | T | 75 | Confident | 73.2 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72 | -43.8 | 167.4 | 42.8 | 0 | 0 | 0 | 0 | 110.4 | M2063 R2064 D2113 K2118 L2119 L2120 | M2063-T2116 HydrophobicContact CE-CG2 3.57Å; R2064-T2116 HydrophobicContact CG-CG2 3.47Å; R2064-T2116 VanDerWaalsContact CG-CG2 3.47Å; D2113-T2116 VanDerWaalsContact CB-OG1 3.3Å; D2113-T2116 WeakPolarHBondContact CB-OG1 3.3Å; D2113-T2116 PolarHBondContact O-OG1 2.95Å; D2113-T2116 PolarHBondContact OD1-N 2.89Å; D2113-T2116 WeakPolarHBondContact OD2-CB 3.46Å; D2113-T2116 WeakPolarHBondContact OD2-CG2 3.48Å; D2113-T2116 PolarHBondContact OD2-OG1 2.93Å; T2116-K2118 VanDerWaalsContact C-N 3.32Å; T2116-K2118 PolarHBondContact O-N 3.45Å; T2116-L2119 PolarHBondContact O-N 3.06Å; T2116-L2119 VanDerWaalsContact O-N 3.08Å; T2116-L2120 WeakPolarHBondContact O-CB 3.43Å; T2116-L2120 PolarHBondContact O-N 3Å |
| 2117 | S | 78.3 | Confident | 72.6 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.5 | -39.7 | 178.4 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | T2108 D2113 K2121 | T2108-S2117 WeakPolarHBondContact CB-OG 3.15Å; T2108-S2117 PolarHBondContact O-OG 2.85Å; T2108-S2117 PolarHBondContact OG1-OG 3.38Å; D2113-S2117 VanDerWaalsContact O-CB 3.28Å; D2113-S2117 WeakPolarHBondContact O-CB 3.38Å; D2113-S2117 PolarHBondContact O-N 3.3Å; D2113-S2117 PolarHBondContact O-OG 3.08Å; S2117-K2121 WeakPolarHBondContact O-CB 3.45Å; S2117-K2121 PolarHBondContact O-N 3.35Å |
| 2118 | K | 81.7 | Confident | 71.9 | Confident | 137 Ų | 137 | 55 Ų | 55 | 60% | 0.596 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.5 | -41.7 | 173.6 | 179.4 | 169.1 | 175.5 | 172.4 | 0 | 112.6 | A2114 T2116 K2121 E2122 | A2114-K2118 VanDerWaalsContact O-CB 3.28Å; A2114-K2118 WeakPolarHBondContact O-CB 3.32Å; A2114-K2118 PolarHBondContact O-N 2.82Å; T2116-K2118 VanDerWaalsContact C-N 3.32Å; T2116-K2118 PolarHBondContact O-N 3.45Å; K2118-K2121 PolarHBondContact O-N 3.45Å; K2118-E2122 WeakPolarHBondContact CE-OE1 3.11Å; K2118-E2122 WeakPolarHBondContact CG-OE1 3.46Å; K2118-E2122 IonicContact NZ-OE1 3.98Å; K2118-E2122 WeakPolarHBondContact O-CG 3.35Å; K2118-E2122 PolarHBondContact O-N 3.24Å |
| 2119 | L | 78.8 | Confident | 70.8 | Confident | 17 Ų | 17 | 59.8 Ų | 59.8 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72 | -40.9 | -178.6 | -129.3 | 165.9 | 0 | 0 | 0 | 111.8 | L2067 R2068 S2115 T2116 E2122 I2123 | L2067-L2119 HydrophobicContact CB-CD2 4.21Å; R2068-L2119 HydrophobicContact CG-CD1 3.84Å; R2068-L2119 HydrophobicContact CG-CD2 4.48Å; S2115-L2119 PolarHBondContact O-N 2.89Å; T2116-L2119 PolarHBondContact O-N 3.06Å; T2116-L2119 VanDerWaalsContact O-N 3.08Å; L2119-E2122 PolarHBondContact O-N 3.4Å; L2119-I2123 HydrophobicContact CD2-CD1 3.83Å; L2119-I2123 HydrophobicContact CD2-CG1 4.38Å; L2119-I2123 WeakPolarHBondContact O-CD1 3Å; L2119-I2123 WeakPolarHBondContact O-CG1 3.48Å; L2119-I2123 PolarHBondContact O-N 3.14Å |
| 2120 | L | 80.7 | Confident | 69.2 | Low | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.8 | -44.4 | 169.9 | -76.8 | 164 | 0 | 0 | 0 | 111 | L2067 L2101 L2104 L2105 T2108 T2116 I2123 T2124 | L2067-L2120 HydrophobicContact CD1-CD2 3.89Å; L2067-L2120 HydrophobicContact CD1-CG 3.83Å; L2067-L2120 HydrophobicContact CD2-CD2 3.71Å; L2067-L2120 HydrophobicContact CD2-CG 4.49Å; L2067-L2120 HydrophobicContact CG-CD2 4.48Å; L2101-L2120 HydrophobicContact CD2-CD2 3.77Å; L2104-L2120 HydrophobicContact CB-CD1 3.97Å; L2104-L2120 HydrophobicContact CB-CD2 4.06Å; L2105-L2120 HydrophobicContact CB-CB 4.45Å; L2105-L2120 HydrophobicContact CD1-CB 3.98Å; T2108-L2120 HydrophobicContact CG2-CD1 3.82Å; T2108-L2120 WeakPolarHBondContact OG1-CD1 3.2Å; T2116-L2120 WeakPolarHBondContact O-CB 3.43Å; T2116-L2120 PolarHBondContact O-N 3Å; L2120-I2123 PolarHBondContact O-N 3.4Å; L2120-T2124 VanDerWaalsContact O-CB 3.28Å; L2120-T2124 WeakPolarHBondContact O-CB 3.27Å; L2120-T2124 PolarHBondContact O-N 3.05Å; L2120-T2124 PolarHBondContact O-OG1 3.24Å |
| 2121 | K | 80.8 | Confident | 67.5 | Low | 112 Ų | 112 | 60.4 Ų | 60.4 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 175.5 | -176.8 | 170.6 | 179.2 | 177.4 | 0 | 111.8 | L2105 S2117 K2118 I2123 T2124 D2125 | L2105-K2121 HydrophobicContact CD1-CB 4.39Å; S2117-K2121 WeakPolarHBondContact O-CB 3.45Å; S2117-K2121 PolarHBondContact O-N 3.35Å; K2118-K2121 PolarHBondContact O-N 3.45Å; K2121-I2123 VanDerWaalsContact C-N 3.3Å; K2121-I2123 PolarHBondContact O-N 3.43Å; K2121-T2124 CarbonylContact O-C 3.51Å; K2121-T2124 PolarHBondContact O-N 3.4Å; K2121-T2124 VanDerWaalsContact O-N 3.13Å; K2121-D2125 WeakPolarHBondContact CE-OD2 3.44Å; K2121-D2125 WeakPolarHBondContact CG-OD2 3.36Å; K2121-D2125 VanDerWaalsContact O-CB 3.28Å; K2121-D2125 WeakPolarHBondContact O-CB 3.08Å; K2121-D2125 PolarHBondContact O-N 3.36Å |
| 2122 | E | 79.3 | Confident | 65.9 | Low | 58 Ų | 58 | 67.2 Ų | 67.2 | 27% | 0.271 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 177.9 | -76.9 | 177.4 | -144.5 | 0 | 0 | 112.6 | R2071 K2118 L2119 L2126 | R2071-E2122 IonicContact CZ-OE2 3.18Å; R2071-E2122 IonicContact NH1-OE2 3.17Å; R2071-E2122 PolarHBondContact NH1-OE2 3.08Å; R2071-E2122 IonicContact NH2-OE2 2.94Å; R2071-E2122 PolarHBondContact NH2-OE2 2.88Å; K2118-E2122 WeakPolarHBondContact CE-OE1 3.11Å; K2118-E2122 WeakPolarHBondContact CG-OE1 3.46Å; K2118-E2122 IonicContact NZ-OE1 3.98Å; K2118-E2122 WeakPolarHBondContact O-CG 3.35Å; K2118-E2122 PolarHBondContact O-N 3.24Å; L2119-E2122 PolarHBondContact O-N 3.4Å; E2122-L2126 WeakPolarHBondContact O-CB 3.49Å; E2122-L2126 VanDerWaalsContact O-CD1 3.26Å; E2122-L2126 WeakPolarHBondContact O-CD1 3.5Å; E2122-L2126 WeakPolarHBondContact O-CG 3.3Å; E2122-L2126 PolarHBondContact O-N 2.77Å |
| 2123 | I | 75.3 | Confident | 64.4 | Low | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -70 | -41.2 | 174.7 | -66.6 | 163.5 | 0 | 0 | 0 | 111.1 | L2067 R2071 L2101 L2119 L2120 K2121 L2126 L2127 | L2067-I2123 HydrophobicContact CB-CD1 3.91Å; L2067-I2123 HydrophobicContact CD2-CD1 3.94Å; L2067-I2123 VanDerWaalsContact O-CD1 3.3Å; L2067-I2123 WeakPolarHBondContact O-CD1 3.4Å; R2071-I2123 HydrophobicContact CB-CD1 4.28Å; R2071-I2123 HydrophobicContact CB-CG1 4.17Å; L2101-I2123 HydrophobicContact CD1-CG2 4.03Å; L2119-I2123 HydrophobicContact CD2-CD1 3.83Å; L2119-I2123 HydrophobicContact CD2-CG1 4.38Å; L2119-I2123 WeakPolarHBondContact O-CD1 3Å; L2119-I2123 WeakPolarHBondContact O-CG1 3.48Å; L2119-I2123 PolarHBondContact O-N 3.14Å; L2120-I2123 PolarHBondContact O-N 3.4Å; K2121-I2123 VanDerWaalsContact C-N 3.3Å; K2121-I2123 PolarHBondContact O-N 3.43Å; I2123-L2126 PolarHBondContact O-N 3.08Å; I2123-L2127 HydrophobicContact CG2-CD1 3.85Å; I2123-L2127 WeakPolarHBondContact O-CG 3.34Å; I2123-L2127 PolarHBondContact O-N 3.48Å |
| 2124 | T | 78.1 | Confident | 62.3 | Low | 14 Ų | 14 | 72.6 Ų | 72.6 | 9% | 0.086 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -70.3 | -37.1 | -180 | -50.9 | 0 | 0 | 0 | 0 | 111.5 | L2105 L2120 K2121 L2126 L2127 S2128 | L2105-T2124 HydrophobicContact CD2-CG2 4.36Å; L2120-T2124 VanDerWaalsContact O-CB 3.28Å; L2120-T2124 WeakPolarHBondContact O-CB 3.27Å; L2120-T2124 PolarHBondContact O-N 3.05Å; L2120-T2124 PolarHBondContact O-OG1 3.24Å; K2121-T2124 CarbonylContact O-C 3.51Å; K2121-T2124 PolarHBondContact O-N 3.4Å; K2121-T2124 VanDerWaalsContact O-N 3.13Å; T2124-L2126 PolarHBondContact O-N 2.99Å; T2124-L2127 CarbonylContact O-C 3.5Å; T2124-L2127 PolarHBondContact O-N 3.39Å; T2124-S2128 WeakPolarHBondContact O-CA 3.01Å; T2124-S2128 WeakPolarHBondContact O-CB 2.83Å; T2124-S2128 PolarHBondContact O-N 3.27Å; T2124-S2128 PolarHBondContact O-OG 3.02Å |
| 2125 | D | 76.7 | Confident | 60 | Low | 78 Ų | 78 | 76.4 Ų | 76.4 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -69.3 | -22 | 176 | -70.7 | -2.4 | 0 | 0 | 0 | 111.9 | K2121 S2128 | K2121-D2125 WeakPolarHBondContact CE-OD2 3.44Å; K2121-D2125 WeakPolarHBondContact CG-OD2 3.36Å; K2121-D2125 VanDerWaalsContact O-CB 3.28Å; K2121-D2125 WeakPolarHBondContact O-CB 3.08Å; K2121-D2125 PolarHBondContact O-N 3.36Å; D2125-S2128 WeakPolarHBondContact CA-OG 3.46Å; D2125-S2128 PolarHBondContact O-OG 3.42Å |
| 2126 | L | 67.9 | Low | 57.7 | Low | 51 Ų | 51 | 80 Ų | 80 | 27% | 0.267 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -85.7 | -30.8 | 173.3 | -74.7 | 165.7 | 0 | 0 | 0 | 113.4 | F2075 R2081 E2122 I2123 T2124 | F2075-L2126 HydrophobicContact CD2-CD1 4.25Å; F2075-L2126 HydrophobicContact CE2-CD1 3.32Å; F2075-L2126 HydrophobicContact CZ-CD1 3.71Å; F2075-L2126 HydrophobicContact CZ-CD2 4.31Å; R2081-L2126 PolarHBondContact NH2-O 3.23Å; E2122-L2126 WeakPolarHBondContact O-CB 3.49Å; E2122-L2126 VanDerWaalsContact O-CD1 3.26Å; E2122-L2126 WeakPolarHBondContact O-CD1 3.5Å; E2122-L2126 WeakPolarHBondContact O-CG 3.3Å; E2122-L2126 PolarHBondContact O-N 2.77Å; I2123-L2126 PolarHBondContact O-N 3.08Å; T2124-L2126 PolarHBondContact O-N 2.99Å |
| 2127 | L | 63.4 | Low | 55.2 | Low | 9 Ų | 9 | 89.6 Ų | 89.6 | 5% | 0.047 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -95.2 | -9.1 | 176.3 | -65.7 | 173.5 | 0 | 0 | 0 | 113.2 | V2074 L2084 F2098 L2101 I2123 T2124 | V2074-L2127 HydrophobicContact CG1-CD2 4.25Å; L2084-L2127 HydrophobicContact CB-CD2 4.15Å; L2084-L2127 HydrophobicContact CD1-CD2 4.46Å; F2098-L2127 HydrophobicContact CD2-CB 4.12Å; F2098-L2127 HydrophobicContact CD2-CD1 4.44Å; F2098-L2127 HydrophobicContact CE2-CB 3.91Å; L2101-L2127 HydrophobicContact CD1-CD1 4.07Å; I2123-L2127 HydrophobicContact CG2-CD1 3.85Å; I2123-L2127 WeakPolarHBondContact O-CG 3.34Å; I2123-L2127 PolarHBondContact O-N 3.48Å; T2124-L2127 CarbonylContact O-C 3.5Å; T2124-L2127 PolarHBondContact O-N 3.39Å |
| 2128 | S | 59.2 | Low | 52.6 | Low | 42 Ų | 42 | 96 Ų | 96 | 29% | 0.294 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -83.3 | 132.9 | 176.2 | 65.2 | 0 | 0 | 0 | 0 | 110 | T2124 D2125 K2130 | T2124-S2128 WeakPolarHBondContact O-CA 3.01Å; T2124-S2128 WeakPolarHBondContact O-CB 2.83Å; T2124-S2128 PolarHBondContact O-N 3.27Å; T2124-S2128 PolarHBondContact O-OG 3.02Å; D2125-S2128 WeakPolarHBondContact CA-OG 3.46Å; D2125-S2128 PolarHBondContact O-OG 3.42Å; S2128-K2130 PolarHBondContact O-N 2.95Å; S2128-K2130 VanDerWaalsContact O-N 3.12Å |
| 2129 | P | 45.6 | Very low | 50 | Low | 106 Ų | 106 | 93 Ų | 93 | 69% | 0.688 | 48% | 0.48 | S | S | * | . | trans | -64.4 | 116.2 | 171.7 | 26.6 | -33 | 0 | 0 | 0 | 109.4 | L2131 | P2129-L2131 VanDerWaalsContact C-N 3.33Å; P2129-L2131 PolarHBondContact O-N 3.31Å | ||
| 2130 | K | 37.5 | Very low | 47.5 | Very low | 190 Ų | 190 | 99.9 Ų | 99.9 | 83% | 0.826 | 52% | 0.515 | S | S | * | . | trans | -68.2 | 90.1 | 173.1 | -79.1 | -170.8 | 173.8 | -175.1 | 0 | 110.1 | S2128 H2132 | S2128-K2130 PolarHBondContact O-N 2.95Å; S2128-K2130 VanDerWaalsContact O-N 3.12Å; K2130-H2132 VanDerWaalsContact C-N 3.27Å; K2130-H2132 PolarHBondContact O-N 3.23Å | ||
| 2131 | L | 26 | Very low | 44.9 | Very low | 165 Ų | 165 | 104.2 Ų | 104.2 | 86% | 0.864 | 55% | 0.545 | S | S | * | . | trans | -68.9 | 83.1 | 167.7 | -84.4 | 165.9 | 0 | 0 | 0 | 110.3 | P2129 | P2129-L2131 VanDerWaalsContact C-N 3.33Å; P2129-L2131 PolarHBondContact O-N 3.31Å | ||
| 2132 | H | 28 | Very low | 42.4 | Very low | 171 Ų | 171 | 103.1 Ų | 103.1 | 79% | 0.792 | 55% | 0.551 | S | S | * | * | trans | -141.6 | 93.8 | 163.6 | -104.7 | -59.1 | 0 | 0 | 0 | 112.2 | K2130 | K2130-H2132 VanDerWaalsContact C-N 3.27Å; K2130-H2132 PolarHBondContact O-N 3.23Å | ||
| 2133 | S | 23.9 | Very low | 39.9 | Very low | 82 Ų | 82 | 106.2 Ų | 106.2 | 57% | 0.573 | 57% | 0.57 | S | S | * | * | 34.2 | 129.7 | 128.3 | 58.7 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 2134 | N | 24.2 | Very low | 37.6 | Very low | 144 Ų | 144 | 116.6 Ų | 116.6 | 77% | 0.77 | 61% | 0.609 | S | S | * | * | trans | 79.1 | 113.3 | 161.2 | -49 | -14.7 | 0 | 0 | 0 | 114.3 | ||||
| 2135 | H | 25.7 | Very low | 35.3 | Very low | 158 Ų | 158 | 120.4 Ų | 120.4 | 73% | 0.731 | 64% | 0.636 | S | S | * | * | cis | -146.6 | 151.9 | 25.9 | -98.4 | -82 | 0 | 0 | 0 | 113.9 | ||||
| 2136 | N | 25 | Very low | 32.9 | Very low | 123 Ų | 123 | 126 Ų | 126 | 66% | 0.658 | 65% | 0.653 | S | S | * | * | trans | 62.3 | 137.5 | 151.1 | -62.1 | -13.5 | 0 | 0 | 0 | 119.4 | ||||
| 2137 | R | 23 | Very low | 30.9 | Very low | 203 Ų | 203 | 131.4 Ų | 131.4 | 77% | 0.766 | 68% | 0.677 | S | S | * | * | cis | -167.7 | 139.1 | -20.5 | -127.9 | 173.8 | -172.5 | 175.3 | 2 | 107.6 | ||||
| 2138 | N | 25 | Very low | 29.1 | Very low | 151 Ų | 151 | 135.9 Ų | 135.9 | 81% | 0.807 | 71% | 0.708 | S | S | * | * | trans | 70.1 | 149.6 | 169.8 | -38.9 | -22.9 | 0 | 0 | 0 | 113.9 | ||||
| 2139 | A | 26.5 | Very low | 27.4 | Very low | 75 Ų | 75 | 144.9 Ų | 144.9 | 62% | 0.62 | 74% | 0.736 | S | S | * | * | cis | -155.3 | 151.7 | 0.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2140 | I | 26.9 | Very low | 26.4 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | trans | 62.6 | 135 | 135.6 | -63.8 | 165.8 | 0 | 0 | 0 | 118.5 | ||||
| 2141 | S | 26 | Very low | 25.7 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | cis | -170.3 | 176.1 | -17.7 | 58.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2142 | S | 27.3 | Very low | 25.6 | Very low | 89 Ų | 89 | 138.9 Ų | 138.9 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | trans | 55.1 | 135.3 | 151.1 | 51 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2143 | D | 27.8 | Very low | 25.3 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 66% | 0.658 | 74% | 0.736 | S | S | * | * | cis | -157 | 140.9 | -8 | -104.6 | -43.7 | 0 | 0 | 0 | 108.2 | ||||
| 2144 | R | 26.1 | Very low | 25.4 | Very low | 222 Ų | 222 | 140 Ų | 140 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | 45.1 | 117 | 93.4 | -58.5 | -173.3 | 174.8 | 170.5 | -5.3 | 112.4 | |||||
| 2145 | S | 29.1 | Very low | 25.5 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | 161.4 | -173.9 | 65.3 | 55 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 2146 | Y | 27.5 | Very low | 25.3 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | cis | -131.5 | 147.8 | -12.8 | -98.8 | -72.5 | 0 | 0 | 0 | 105.3 | ||||
| 2147 | H | 26 | Very low | 25.4 | Very low | 166 Ų | 166 | 136 Ų | 136 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | 42.7 | 147.1 | 91.3 | -59.7 | -95.2 | 0 | 0 | 0 | 115.3 | |||||
| 2148 | S | 24.7 | Very low | 25.6 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | cis | -165.2 | -179.9 | 12.5 | 41.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2149 | R | 24.2 | Very low | 25.7 | Very low | 231 Ų | 231 | 126.5 Ų | 126.5 | 87% | 0.872 | 71% | 0.712 | S | S | * | * | trans | 98 | 115.5 | 175.8 | -62.3 | 179.2 | 168.6 | 174.9 | -4.2 | 114 | ||||
| 2150 | S | 24.5 | Very low | 25.9 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | cis | 79.2 | 91.3 | 34.2 | 88.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2151 | G | 23.5 | Very low | 26.1 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | trans | 178.5 | 134.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V2153 | G2151-V2153 PolarHBondContact O-N 3.05Š| ||
| 2152 | T | 22.6 | Very low | 26.3 | Very low | 151 Ų | 151 | 131.4 Ų | 131.4 | 93% | 0.926 | 71% | 0.707 | S | S | * | * | trans | -81.3 | 89.6 | 177 | 46.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2153 | V | 22.3 | Very low | 26.4 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | -138.8 | 140.5 | -177.5 | -173.8 | 0 | 0 | 0 | 0 | 109.9 | G2151 P2155 | G2151-V2153 PolarHBondContact O-N 3.05Å; V2153-P2155 WeakPolarHBondContact O-CD 3.38Å | ||
| 2154 | Q | 25.6 | Very low | 26.6 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | -74.3 | 127.5 | 179.7 | -62.2 | 163.2 | -82.1 | 0 | 0 | 112.3 | ||||
| 2155 | P | 26.3 | Very low | 26.8 | Very low | 104 Ų | 104 | 126 Ų | 126 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | trans | -152.2 | 81.5 | 174.7 | 36 | -11.4 | 0 | 0 | 0 | 112.4 | V2153 | V2153-P2155 WeakPolarHBondContact O-CD 3.38Š| ||
| 2156 | E | 22.5 | Very low | 26.8 | Very low | 145 Ų | 145 | 125.4 Ų | 125.4 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | 51.8 | 133.7 | 53.9 | -63.1 | -169 | -156.9 | 0 | 0 | 114.5 | S2158 | E2156-S2158 PolarHBondContact O-N 3.25Å; E2156-S2158 VanDerWaalsContact O-N 3.08Å | |||
| 2157 | S | 25.8 | Very low | 26.9 | Very low | 92 Ų | 92 | 120.9 Ų | 120.9 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 67.6 | -29.9 | 175.4 | 79.8 | 0 | 0 | 0 | 0 | 121.3 | R2161 | S2157-R2161 PolarHBondContact O-N 3.36Š|
| 2158 | S | 27 | Very low | 26.9 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 52% | 0.517 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -78.2 | -49.3 | -162.5 | 65.6 | 0 | 0 | 0 | 0 | 116.2 | E2156 N2160 R2161 | E2156-S2158 PolarHBondContact O-N 3.25Å; E2156-S2158 VanDerWaalsContact O-N 3.08Å; S2158-N2160 PolarHBondContact O-N 3.5Å; S2158-R2161 WeakPolarHBondContact O-CB 3.3Å; S2158-R2161 PolarHBondContact O-N 2.77Å |
| 2159 | S | 27.2 | Very low | 27 | Very low | 80 Ų | 80 | 119 Ų | 119 | 56% | 0.559 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -62.8 | -32.7 | 177.2 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | R2161 I2162 I2163 | S2159-R2161 PolarHBondContact O-N 3.48Å; S2159-I2162 PolarHBondContact O-N 2.96Å; S2159-I2162 VanDerWaalsContact O-N 3.09Å; S2159-I2163 WeakPolarHBondContact O-CG1 3.45Å; S2159-I2163 PolarHBondContact O-N 3.32Å |
| 2160 | N | 31.2 | Very low | 27.1 | Very low | 113 Ų | 113 | 113.1 Ų | 113.1 | 60% | 0.604 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -63.1 | -22.6 | 173.7 | -71.4 | 6.7 | 0 | 0 | 0 | 112.7 | S2158 S2164 | S2158-N2160 PolarHBondContact O-N 3.5Å; N2160-S2164 WeakPolarHBondContact O-CB 3.38Å; N2160-S2164 PolarHBondContact O-N 3.19Å; N2160-S2164 PolarHBondContact O-OG 3.47Å |
| 2161 | R | 30.2 | Very low | 27.3 | Very low | 186 Ų | 186 | 112.9 Ų | 112.9 | 70% | 0.702 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -79.1 | -23.1 | 172.3 | -85.4 | -175.9 | 169.9 | -178.6 | -1.1 | 114.7 | S2157 S2158 S2159 K2165 | S2157-R2161 PolarHBondContact O-N 3.36Å; S2158-R2161 WeakPolarHBondContact O-CB 3.3Å; S2158-R2161 PolarHBondContact O-N 2.77Å; S2159-R2161 PolarHBondContact O-N 3.48Å; R2161-K2165 VanDerWaalsContact O-CB 3.3Å; R2161-K2165 WeakPolarHBondContact O-CB 3.48Å; R2161-K2165 VanDerWaalsContact O-CG 3.31Å; R2161-K2165 WeakPolarHBondContact O-CG 3.24Å; R2161-K2165 PolarHBondContact O-N 3.13Å |
| 2162 | I | 30.3 | Very low | 27.5 | Very low | 131 Ų | 131 | 115.5 Ų | 115.5 | 67% | 0.672 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -82.8 | -41.5 | 171.8 | -61.7 | 178.5 | 0 | 0 | 0 | 108.7 | S2159 K2165 A2166 | S2159-I2162 PolarHBondContact O-N 2.96Å; S2159-I2162 VanDerWaalsContact O-N 3.09Å; I2162-K2165 CarbonylContact O-C 3.57Å; I2162-K2165 PolarHBondContact O-N 2.8Å; I2162-A2166 PolarHBondContact O-N 3.25Å; I2162-A2166 VanDerWaalsContact O-N 3.09Å |
| 2163 | I | 30.9 | Very low | 27.8 | Very low | 78 Ų | 78 | 113.3 Ų | 113.3 | 40% | 0.4 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -59.9 | -46.6 | 171.7 | -63.6 | 165.1 | 0 | 0 | 0 | 109.8 | S2159 K2165 A2166 V2167 | S2159-I2163 WeakPolarHBondContact O-CG1 3.45Å; S2159-I2163 PolarHBondContact O-N 3.32Å; I2163-K2165 PolarHBondContact O-N 2.99Å; I2163-K2165 VanDerWaalsContact O-N 3.16Å; I2163-A2166 PolarHBondContact O-N 3.07Å; I2163-A2166 VanDerWaalsContact O-N 3.15Å; I2163-V2167 HydrophobicContact CG2-CG2 4.2Å; I2163-V2167 VanDerWaalsContact O-CB 3.31Å; I2163-V2167 WeakPolarHBondContact O-CB 3.32Å; I2163-V2167 VanDerWaalsContact O-CG2 3.3Å; I2163-V2167 WeakPolarHBondContact O-CG2 3.41Å; I2163-V2167 PolarHBondContact O-N 2.88Å |
| 2164 | S | 30.4 | Very low | 28.2 | Very low | 66 Ų | 66 | 112.9 Ų | 112.9 | 46% | 0.462 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | 11.8 | 173.9 | 87.6 | 0 | 0 | 0 | 0 | 115.3 | N2160 A2168 | N2160-S2164 WeakPolarHBondContact O-CB 3.38Å; N2160-S2164 PolarHBondContact O-N 3.19Å; N2160-S2164 PolarHBondContact O-OG 3.47Å; S2164-A2168 WeakPolarHBondContact O-CB 3.26Å |
| 2165 | K | 30.3 | Very low | 28.3 | Very low | 175 Ų | 175 | 109.7 Ų | 109.7 | 76% | 0.761 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 8.4 | 166.9 | -82.3 | -169.2 | 167.7 | -160.7 | 0 | 112.6 | R2161 I2162 I2163 A2168 | R2161-K2165 VanDerWaalsContact O-CB 3.3Å; R2161-K2165 WeakPolarHBondContact O-CB 3.48Å; R2161-K2165 VanDerWaalsContact O-CG 3.31Å; R2161-K2165 WeakPolarHBondContact O-CG 3.24Å; R2161-K2165 PolarHBondContact O-N 3.13Å; I2162-K2165 CarbonylContact O-C 3.57Å; I2162-K2165 PolarHBondContact O-N 2.8Å; I2163-K2165 PolarHBondContact O-N 2.99Å; I2163-K2165 VanDerWaalsContact O-N 3.16Å; K2165-A2168 VanDerWaalsContact C-OXT 3.31Å |
| 2166 | A | 29.7 | Very low | 28.5 | Very low | 84 Ų | 84 | 110.2 Ų | 110.2 | 69% | 0.694 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.4 | -21.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I2162 I2163 | I2162-A2166 PolarHBondContact O-N 3.25Å; I2162-A2166 VanDerWaalsContact O-N 3.09Å; I2163-A2166 PolarHBondContact O-N 3.07Å; I2163-A2166 VanDerWaalsContact O-N 3.15Å |
| 2167 | V | 28.8 | Very low | 29 | Very low | 99 Ų | 99 | 107.3 Ų | 107.3 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | trans | -93.6 | -12.1 | 170.4 | 176.2 | 0 | 0 | 0 | 0 | 112 | I2163 | I2163-V2167 HydrophobicContact CG2-CG2 4.2Å; I2163-V2167 VanDerWaalsContact O-CB 3.31Å; I2163-V2167 WeakPolarHBondContact O-CB 3.32Å; I2163-V2167 VanDerWaalsContact O-CG2 3.3Å; I2163-V2167 WeakPolarHBondContact O-CG2 3.41Å; I2163-V2167 PolarHBondContact O-N 2.88Å | ||
| 2168 | A | 26 | Very low | 29.3 | Very low | 109 Ų | 109 | 108.6 Ų | 108.6 | 90% | 0.901 | 63% | 0.625 | S | S | * | * | trans | -123.4 | 0 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S2164 K2165 | S2164-A2168 WeakPolarHBondContact O-CB 3.26Å; K2165-A2168 VanDerWaalsContact C-OXT 3.31Å |
Retrieved 2,168 of 2,168 residues in 1234.8 ms
(Link to these results)