| 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 | 50.4 | Low | 87.1 | Confident | 238 Ų | 238 | 43 Ų | 43 | 100% | 1.172 | 24% | 0.241 | S | C | * | . | 0 | 120.7 | 0 | -79.7 | 172.9 | 170.8 | 0 | 0 | 106.9 | T3 | M1-T3 PolarHBondContact O-N 2.74Š| |||
| 2 | T | 68 | Low | 85.6 | Confident | 63 Ų | 63 | 43.8 Ų | 43.8 | 39% | 0.387 | 27% | 0.266 | S | S | . | . | trans | -64.7 | 125.7 | 171.6 | 10.2 | 0 | 0 | 0 | 0 | 108.4 | I4 | T2-I4 PolarHBondContact O-N 3.1Š| ||
| 3 | T | 87.6 | Confident | 83.6 | Confident | 104 Ų | 104 | 46.8 Ų | 46.8 | 64% | 0.638 | 27% | 0.273 | S | S | * | . | trans | -74.7 | 121.2 | 175.2 | 41.3 | 0 | 0 | 0 | 0 | 108.8 | M1 | M1-T3 PolarHBondContact O-N 2.74Š| ||
| 4 | I | 98 | Very high | 81.8 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.6 | 179.5 | -57.8 | 169 | 0 | 0 | 0 | 107.6 | T2 L44 W91 L93 A107 L134 | T2-I4 PolarHBondContact O-N 3.1Å; I4-L44 HydrophobicContact CB-CD2 3.72Å; I4-L44 HydrophobicContact CG2-CD1 3.98Å; I4-L44 HydrophobicContact CG2-CD2 4Å; I4-W91 WeakPolarHBondContact CA-O 3.23Å; I4-W91 HydrophobicContact CB-CB 4.35Å; I4-W91 HydrophobicContact CG1-CB 3.85Å; I4-W91 HydrophobicContact CG2-CB 4.49Å; I4-L93 HydrophobicContact CG2-CB 3.74Å; I4-A107 HydrophobicContact CD1-CB 4.48Å; I4-L134 HydrophobicContact CD1-CD1 4.05Å; I4-L134 HydrophobicContact CG1-CD1 4.23Å; I4-L134 HydrophobicContact CG2-CD1 3.92Å |
| 5 | T | 98.5 | Very high | 79.9 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 123 | 170.7 | -60 | 0 | 0 | 0 | 0 | 109.1 | V7 V48 E87 W91 F92 L93 | T5-V7 HydrophobicContact CG2-CG2 4.25Å; T5-V48 HydrophobicContact CG2-CG2 4.14Å; T5-E87 HydrophobicContact CG2-CG 4.41Å; T5-W91 PolarHBondContact N-O 3.33Å; T5-F92 HydrophobicContact CG2-CD1 4.2Å; T5-F92 HydrophobicContact CG2-CE1 4.23Å; T5-F92 CarbonylContact O-C 3.4Å; T5-F92 WeakPolarHBondContact O-CA 3.35Å; T5-L93 PolarHBondContact O-N 3.23Å |
| 6 | G | 98.6 | Very high | 78.1 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 137.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L44 H46 V47 V48 | G6-L44 VanDerWaalsContact CA-CD1 3.47Å; G6-H46 PolarHBondContact N-O 2.95Å; G6-V47 CarbonylContact O-C 3.57Å; G6-V47 VanDerWaalsContact O-CA 3.32Å; G6-V47 WeakPolarHBondContact O-CA 3.4Å; G6-V48 PolarHBondContact O-N 3.45Å |
| 7 | V | 98.6 | Very high | 76.6 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 119.3 | -175.9 | -172.4 | 0 | 0 | 0 | 0 | 110.6 | T5 L9 V48 V83 F92 L93 F94 C95 | T5-V7 HydrophobicContact CG2-CG2 4.25Å; V7-L9 HydrophobicContact CG1-CD2 4.31Å; V7-V48 WeakPolarHBondContact CA-O 3.37Å; V7-V48 HydrophobicContact CB-CG2 4.44Å; V7-V48 HydrophobicContact CG1-CG2 4.27Å; V7-V48 HydrophobicContact CG2-CG2 3.99Å; V7-V83 HydrophobicContact CG1-CB 4.37Å; V7-V83 HydrophobicContact CG1-CG1 4.08Å; V7-V83 HydrophobicContact CG1-CG2 3.85Å; V7-V83 HydrophobicContact CG2-CG1 3.71Å; V7-F92 HydrophobicContact CG2-CD1 4.16Å; V7-L93 PolarHBondContact N-O 3.07Å; V7-F94 HydrophobicContact CB-CD1 3.48Å; V7-F94 VanDerWaalsContact CB-CD1 3.48Å; V7-F94 HydrophobicContact CB-CE1 3.78Å; V7-F94 HydrophobicContact CB-CG 4.33Å; V7-F94 HydrophobicContact CG1-CD1 3.56Å; V7-F94 HydrophobicContact CG1-CE1 3.69Å; V7-F94 HydrophobicContact CG2-CD1 3.92Å; V7-F94 HydrophobicContact CG2-CE1 3.75Å; V7-F94 HydrophobicContact CG2-CZ 4.44Å; V7-F94 CarbonylContact O-C 3.17Å; V7-F94 WeakPolarHBondContact O-CA 3.47Å; V7-C95 PolarHBondContact O-N 3.15Å |
| 8 | V | 97.9 | Very high | 75.6 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.6 | 168.9 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | A10 W33 V36 A37 L40 V48 V49 N50 C95 C97 | V8-A10 PolarHBondContact O-N 3.21Å; V8-W33 HydrophobicContact CG1-CB 4.18Å; V8-V36 HydrophobicContact CG1-CB 4.35Å; V8-V36 HydrophobicContact CG1-CG1 4.45Å; V8-V36 HydrophobicContact CG2-CB 4.23Å; V8-V36 HydrophobicContact CG2-CG1 4.04Å; V8-A37 HydrophobicContact CG2-CB 3.96Å; V8-L40 HydrophobicContact CG2-CD1 3.88Å; V8-V48 PolarHBondContact N-O 3.03Å; V8-V49 HydrophobicContact CB-CB 4.35Å; V8-V49 HydrophobicContact CB-CG2 4.12Å; V8-V49 HydrophobicContact CG1-CG2 4.36Å; V8-V49 WeakPolarHBondContact O-CA 3.45Å; V8-N50 PolarHBondContact O-N 3.07Å; V8-C95 CarbonylContact C-O 3.42Å; V8-C95 WeakPolarHBondContact CA-O 3.31Å; V8-C97 HydrophobicContact CG1-CB 3.87Å |
| 9 | L | 95.7 | Very high | 75.3 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.089 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 99.4 | 175.3 | -63.6 | 173.7 | 0 | 0 | 0 | 110.2 | V7 N50 P76 M80 F94 C95 C97 | V7-L9 HydrophobicContact CG1-CD2 4.31Å; L9-N50 HydrophobicContact CD2-CB 4.1Å; L9-P76 HydrophobicContact CD1-CB 4.41Å; L9-M80 HydrophobicContact CD1-CE 3.98Å; L9-M80 HydrophobicContact CD1-CG 4.26Å; L9-F94 HydrophobicContact CD1-CB 4.08Å; L9-F94 HydrophobicContact CD1-CD1 4.31Å; L9-F94 HydrophobicContact CD2-CD1 3.95Å; L9-F94 HydrophobicContact CD2-CE1 4.48Å; L9-F94 HydrophobicContact CG-CB 4.48Å; L9-F94 HydrophobicContact CG-CD1 4.17Å; L9-C95 PolarHBondContact N-O 3.45Å; L9-C97 PolarHBondContact O-N 3.38Å; L9-C97 PolarHBondContact O-SG 3.27Å |
| 10 | A | 92.6 | Very high | 75.2 | Confident | 10 Ų | 10 | 65.3 Ų | 65.3 | 8% | 0.083 | 36% | 0.362 | C | S | . | . | trans | -108.8 | -7.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V8 G12 V49 N50 A51 Y58 C97 | V8-A10 PolarHBondContact O-N 3.21Å; A10-G12 VanDerWaalsContact C-N 3.29Å; A10-G12 PolarHBondContact O-N 3.36Å; A10-V49 HydrophobicContact CB-CG2 4.1Å; A10-N50 CarbonylContact C-O 3.28Å; A10-N50 VanDerWaalsContact CA-O 3.28Å; A10-N50 WeakPolarHBondContact CA-O 3.5Å; A10-N50 WeakPolarHBondContact CB-O 3.43Å; A10-N50 PolarHBondContact N-O 2.93Å; A10-A51 HydrophobicContact CB-CB 4.2Å; A10-Y58 HydrophobicContact CB-CE1 3.8Å; A10-C97 HydrophobicContact CB-CB 4.13Å | ||
| 11 | G | 72.6 | Confident | 75.6 | Confident | 11 Ų | 11 | 63 Ų | 63 | 11% | 0.113 | 35% | 0.349 | C | S | . | . | trans | -75.6 | 26.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | N50 N52 | G11-N50 PolarHBondContact N-O 3.17Å; G11-N52 VanDerWaalsContact CA-ND2 3.29Å; G11-N52 WeakPolarHBondContact CA-ND2 3.14Å; G11-N52 PolarHBondContact O-ND2 2.86Å | ||
| 12 | G | 68.4 | Low | 77.1 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 55% | 0.546 | 30% | 0.302 | S | S | . | . | trans | -72.2 | 156.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A10 A14 | A10-G12 VanDerWaalsContact C-N 3.29Å; A10-G12 PolarHBondContact O-N 3.36Å; G12-A14 PolarHBondContact O-N 3.03Å | ||
| 13 | K | 60.2 | Low | 78 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | trans | -58.9 | -8.9 | 179.1 | -69.3 | -168.2 | 179.9 | -160.3 | 0 | 116.1 | R15 D72 Y73 | K13-R15 HydrophobicContact CB-CB 4.37Å; K13-R15 HydrophobicContact CB-CG 4Å; K13-R15 PolarHBondContact O-N 3Å; K13-D72 WeakPolarHBondContact CE-O 3.08Å; K13-D72 PolarHBondContact NZ-O 3.37Å; K13-Y73 WeakPolarHBondContact CE-O 3.38Å | ||
| 14 | A | 57.8 | Low | 78.2 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 17% | 0.174 | 26% | 0.263 | C | S | . | . | trans | 50.3 | 14.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | G12 R16 M17 G19 V20 | G12-A14 PolarHBondContact O-N 3.03Å; A14-R16 VanDerWaalsContact C-N 3.27Å; A14-R16 PolarHBondContact O-N 3.19Å; A14-M17 PolarHBondContact O-N 3.31Å; A14-M17 VanDerWaalsContact O-N 3.16Å; A14-G19 PolarHBondContact O-N 2.96Å; A14-V20 WeakPolarHBondContact CB-O 3.38Å | ||
| 15 | R | 53.5 | Low | 77.7 | Confident | 203 Ų | 203 | 47.9 Ų | 47.9 | 77% | 0.766 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -60.8 | -33.7 | -173.3 | -88.6 | -179.1 | -177.1 | -170.9 | 0.4 | 113.3 | K13 M17 | K13-R15 HydrophobicContact CB-CB 4.37Å; K13-R15 HydrophobicContact CB-CG 4Å; K13-R15 PolarHBondContact O-N 3Å; R15-M17 VanDerWaalsContact C-N 3.35Å |
| 16 | R | 51.8 | Low | 77.3 | Confident | 246 Ų | 246 | 52.7 Ų | 52.7 | 93% | 0.928 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -82.7 | -12.8 | -176.9 | -65 | -173.6 | -176.7 | 175.6 | 1.1 | 113.7 | A14 | A14-R16 VanDerWaalsContact C-N 3.27Å; A14-R16 PolarHBondContact O-N 3.19Å |
| 17 | M | 51.9 | Low | 76.9 | Confident | 45 Ų | 45 | 52.8 Ų | 52.8 | 22% | 0.222 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -115 | 25.5 | -173.1 | -71.9 | -57.4 | -61.3 | 0 | 0 | 112.5 | A14 R15 G19 V20 P181 | A14-M17 PolarHBondContact O-N 3.31Å; A14-M17 VanDerWaalsContact O-N 3.16Å; R15-M17 VanDerWaalsContact C-N 3.35Å; M17-G19 PolarHBondContact O-N 3.44Å; M17-G19 VanDerWaalsContact O-N 3.09Å; M17-V20 HydrophobicContact CB-CB 4.19Å; M17-V20 WeakPolarHBondContact O-CB 3.02Å; M17-V20 WeakPolarHBondContact O-CG2 3.13Å; M17-V20 PolarHBondContact O-N 3.17Å; M17-P181 VanDerWaalsContact CE-CD 3.42Å; M17-P181 HydrophobicContact CE-CG 4.02Å |
| 18 | G | 58.9 | Low | 76.5 | Confident | 82 Ų | 82 | 56 Ų | 56 | 85% | 0.845 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 23.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 19 | G | 69 | Low | 76.3 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -2.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A14 M17 D21 R53 | A14-G19 PolarHBondContact O-N 2.96Å; M17-G19 PolarHBondContact O-N 3.44Å; M17-G19 VanDerWaalsContact O-N 3.09Å; G19-D21 PolarHBondContact O-N 3.4Å; G19-R53 PolarHBondContact O-NH1 2.76Å; G19-R53 PolarHBondContact O-NH2 3.24Å |
| 20 | V | 74.7 | Confident | 76.2 | Confident | 69 Ų | 69 | 61.5 Ų | 61.5 | 42% | 0.418 | 34% | 0.343 | S | S | . | . | trans | -66.1 | 130.8 | 172.9 | 179 | 0 | 0 | 0 | 0 | 110 | A14 M17 K22 L25 | A14-V20 WeakPolarHBondContact CB-O 3.38Å; M17-V20 HydrophobicContact CB-CB 4.19Å; M17-V20 WeakPolarHBondContact O-CB 3.02Å; M17-V20 WeakPolarHBondContact O-CG2 3.13Å; M17-V20 PolarHBondContact O-N 3.17Å; V20-K22 PolarHBondContact O-N 2.97Å; V20-L25 HydrophobicContact CG1-CD2 3.82Å; V20-L25 HydrophobicContact CG1-CG 4.42Å | ||
| 21 | D | 83.5 | Confident | 76.2 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | trans | -75.2 | 109.6 | 174.1 | -162.6 | -30.7 | 0 | 0 | 0 | 109.7 | G19 G23 L24 H54 Y58 | G19-D21 PolarHBondContact O-N 3.4Å; D21-G23 VanDerWaalsContact C-N 3.25Å; D21-G23 PolarHBondContact O-N 2.99Å; D21-G23 PolarHBondContact OD1-N 3.26Å; D21-L24 HydrophobicContact CB-CB 4.22Å; D21-L24 HydrophobicContact CB-CD1 3.97Å; D21-L24 HydrophobicContact CB-CG 4Å; D21-L24 PolarHBondContact O-N 3.42Å; D21-L24 VanDerWaalsContact O-N 3.12Å; D21-H54 IonicContact OD2-CE1 2.65Å; D21-H54 IonicContact OD2-CG 3.94Å; D21-H54 IonicContact OD2-ND1 3.75Å; D21-H54 PolarHBondContact OD2-ND1 2.65Å; D21-Y58 PolarHBondContact OD1-OH 2.84Å; D21-Y58 PolarHBondContact OD2-OH 3.16Å | ||
| 22 | K | 82 | Confident | 77.2 | Confident | 44 Ų | 44 | 62.1 Ų | 62.1 | 19% | 0.191 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -62.7 | -35.5 | -173.8 | -168.3 | -179.2 | -175.7 | -176.5 | 0 | 111.8 | V20 L24 L25 D98 V178 N179 | V20-K22 PolarHBondContact O-N 2.97Å; K22-L24 PolarHBondContact O-N 3.28Å; K22-L25 HydrophobicContact CG-CD1 4.22Å; K22-L25 WeakPolarHBondContact O-CB 3.49Å; K22-L25 PolarHBondContact O-N 3.44Å; K22-D98 HydrophobicContact CD-CB 4.08Å; K22-D98 VanDerWaalsContact CE-CB 3.43Å; K22-D98 IonicContact NZ-OD2 3.8Å; K22-D98 PolarHBondContact NZ-OD2 2.9Å; K22-V178 WeakPolarHBondContact CE-O 3.37Å; K22-V178 PolarHBondContact NZ-O 3.5Å; K22-N179 PolarHBondContact NZ-OD1 3.04Å |
| 23 | G | 86.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -63.9 | -29.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D21 L32 W33 | D21-G23 VanDerWaalsContact C-N 3.25Å; D21-G23 PolarHBondContact O-N 2.99Å; D21-G23 PolarHBondContact OD1-N 3.26Å; G23-L32 PolarHBondContact O-N 3.4Å; G23-W33 PolarHBondContact O-N 3.11Å |
| 24 | L | 90.6 | Very high | 80.3 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -87.3 | -1 | -178.8 | -58 | -175.8 | 0 | 0 | 0 | 114 | D21 K22 E26 H54 I57 Y58 | D21-L24 HydrophobicContact CB-CB 4.22Å; D21-L24 HydrophobicContact CB-CD1 3.97Å; D21-L24 HydrophobicContact CB-CG 4Å; D21-L24 PolarHBondContact O-N 3.42Å; D21-L24 VanDerWaalsContact O-N 3.12Å; K22-L24 PolarHBondContact O-N 3.28Å; L24-E26 PolarHBondContact O-N 2.98Å; L24-H54 HydrophobicContact CD1-CB 3.94Å; L24-I57 HydrophobicContact CD1-CB 4.46Å; L24-I57 HydrophobicContact CD1-CD1 3.88Å; L24-I57 HydrophobicContact CD1-CG2 4.17Å; L24-I57 HydrophobicContact CD2-CB 4.49Å; L24-I57 HydrophobicContact CD2-CG2 3.67Å; L24-Y58 HydrophobicContact CD2-CE1 4.15Å; L24-Y58 HydrophobicContact CD2-CE2 4.08Å; L24-Y58 HydrophobicContact CG-CE2 4.31Å |
| 25 | L | 88.9 | Confident | 82.1 | Confident | 24 Ų | 24 | 58.1 Ų | 58.1 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 134.4 | 169.4 | -67.3 | 177 | 0 | 0 | 0 | 109.4 | V20 K22 P31 L32 L184 | V20-L25 HydrophobicContact CG1-CD2 3.82Å; V20-L25 HydrophobicContact CG1-CG 4.42Å; K22-L25 HydrophobicContact CG-CD1 4.22Å; K22-L25 WeakPolarHBondContact O-CB 3.49Å; K22-L25 PolarHBondContact O-N 3.44Å; L25-P31 CarbonylContact O-C 3.52Å; L25-P31 WeakPolarHBondContact O-CA 3.4Å; L25-L32 HydrophobicContact CB-CD1 3.94Å; L25-L32 HydrophobicContact CB-CG 4.32Å; L25-L32 HydrophobicContact CD1-CD1 4.5Å; L25-L32 WeakPolarHBondContact O-CG 3.42Å; L25-L32 PolarHBondContact O-N 3.12Å; L25-L184 HydrophobicContact CB-CD2 4.21Å |
| 26 | E | 90.6 | Very high | 84.2 | Confident | 112 Ų | 112 | 48.5 Ų | 48.5 | 52% | 0.523 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 117.1 | -175 | -68.2 | -176.4 | 177.3 | 0 | 0 | 112.3 | L24 K30 L184 Q188 | L24-E26 PolarHBondContact O-N 2.98Å; E26-K30 CarbonylContact C-O 3.52Å; E26-K30 WeakPolarHBondContact CA-O 3.36Å; E26-L184 WeakPolarHBondContact O-CD2 3.43Å; E26-Q188 PolarHBondContact O-NE2 3.3Å |
| 27 | L | 90.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 119.4 | 165.8 | 174.8 | 63.7 | 0 | 0 | 0 | 108.6 | G29 K30 L32 H35 P100 Y101 L184 W187 | L27-G29 PolarHBondContact O-N 3.07Å; L27-K30 PolarHBondContact N-O 3.26Å; L27-K30 PolarHBondContact O-N 3.04Å; L27-K30 VanDerWaalsContact O-O 3.06Å; L27-L32 HydrophobicContact CB-CD2 3.8Å; L27-L32 HydrophobicContact CD2-CD2 4.2Å; L27-H35 PolarHBondContact O-NE2 2.99Å; L27-P100 HydrophobicContact CD2-CB 3.85Å; L27-P100 HydrophobicContact CD2-CG 3.71Å; L27-Y101 HydrophobicContact CD2-CE1 4.27Å; L27-L184 HydrophobicContact CB-CD1 3.72Å; L27-L184 HydrophobicContact CD1-CD1 4.02Å; L27-L184 HydrophobicContact CG-CD1 4.44Å; L27-W187 HydrophobicContact CD1-CB 3.82Å; L27-W187 WeakPolarHBondContact CD1-O 3.42Å |
| 28 | N | 90.3 | Very high | 88.6 | Confident | 67 Ų | 67 | 37 Ų | 37 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 40.6 | -177.8 | -58.6 | -33.4 | 0 | 0 | 0 | 112.9 | K30 Q188 E189 | N28-K30 VanDerWaalsContact C-N 3.27Å; N28-K30 PolarHBondContact O-N 3.11Å; N28-Q188 WeakPolarHBondContact OD1-CA 3.35Å; N28-Q188 PolarHBondContact OD1-OE1 3.27Å; N28-E189 PolarHBondContact OD1-N 3.06Å |
| 29 | G | 92.3 | Very high | 90.5 | Very high | 56 Ų | 56 | 33.9 Ų | 33.9 | 58% | 0.577 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 9.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L27 | L27-G29 PolarHBondContact O-N 3.07Š|
| 30 | K | 93.7 | Very high | 91.9 | Very high | 78 Ų | 78 | 32.4 Ų | 32.4 | 34% | 0.339 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 134.4 | 174.3 | 175.8 | -170.5 | -60.7 | -175.3 | 0 | 110.2 | E26 L27 N28 L32 Q34 H35 D38 | E26-K30 CarbonylContact C-O 3.52Å; E26-K30 WeakPolarHBondContact CA-O 3.36Å; L27-K30 PolarHBondContact N-O 3.26Å; L27-K30 PolarHBondContact O-N 3.04Å; L27-K30 VanDerWaalsContact O-O 3.06Å; N28-K30 VanDerWaalsContact C-N 3.27Å; N28-K30 PolarHBondContact O-N 3.11Å; K30-L32 PolarHBondContact O-N 3.37Å; K30-Q34 HydrophobicContact CD-CB 4.2Å; K30-Q34 HydrophobicContact CD-CG 4.04Å; K30-Q34 HydrophobicContact CG-CB 3.96Å; K30-Q34 HydrophobicContact CG-CG 4.09Å; K30-H35 WeakPolarHBondContact CB-NE2 3.06Å; K30-H35 PolarHBondContact O-CD2 3.29Å; K30-H35 PolarHBondContact O-NE2 2.95Å; K30-D38 IonicContact NZ-OD2 2.69Å; K30-D38 PolarHBondContact NZ-OD2 2.95Å |
| 31 | P | 93.6 | Very high | 93 | Very high | 33 Ų | 33 | 32.9 Ų | 32.9 | 21% | 0.214 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 137.3 | 177 | -27.5 | 35.8 | 0 | 0 | 0 | 112.7 | L25 W33 Q34 H35 | L25-P31 CarbonylContact O-C 3.52Å; L25-P31 WeakPolarHBondContact O-CA 3.4Å; P31-W33 VanDerWaalsContact CB-CD1 3.41Å; P31-W33 HydrophobicContact CB-CG 4.4Å; P31-W33 PolarHBondContact O-N 2.77Å; P31-Q34 HydrophobicContact CB-CB 4.28Å; P31-Q34 WeakPolarHBondContact O-CA 3.27Å; P31-Q34 WeakPolarHBondContact O-CB 3.47Å; P31-Q34 PolarHBondContact O-N 2.83Å; P31-H35 PolarHBondContact O-CD2 2.85Å; P31-H35 VanDerWaalsContact O-CD2 3.28Å; P31-H35 PolarHBondContact O-N 3.24Å |
| 32 | L | 93.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -51.1 | -44.9 | 179.3 | -78.1 | 177.8 | 0 | 0 | 0 | 111.7 | G23 L25 L27 K30 Q34 H35 V36 C97 P100 V178 L184 | G23-L32 PolarHBondContact O-N 3.4Å; L25-L32 HydrophobicContact CB-CD1 3.94Å; L25-L32 HydrophobicContact CB-CG 4.32Å; L25-L32 HydrophobicContact CD1-CD1 4.5Å; L25-L32 WeakPolarHBondContact O-CG 3.42Å; L25-L32 PolarHBondContact O-N 3.12Å; L27-L32 HydrophobicContact CB-CD2 3.8Å; L27-L32 HydrophobicContact CD2-CD2 4.2Å; K30-L32 PolarHBondContact O-N 3.37Å; L32-Q34 PolarHBondContact O-N 2.93Å; L32-H35 WeakPolarHBondContact O-CB 3.39Å; L32-H35 PolarHBondContact O-N 3.1Å; L32-H35 VanDerWaalsContact O-N 3.13Å; L32-V36 PolarHBondContact O-N 3Å; L32-C97 CarbonylContact C-O 3.55Å; L32-C97 VanDerWaalsContact C-O 3.28Å; L32-C97 WeakPolarHBondContact CB-O 3.36Å; L32-P100 HydrophobicContact CD2-CB 4.18Å; L32-P100 HydrophobicContact CD2-CG 3.98Å; L32-V178 HydrophobicContact CD1-CB 4.01Å; L32-V178 HydrophobicContact CD1-CG1 4.11Å; L32-V178 HydrophobicContact CD2-CB 4.12Å; L32-V178 HydrophobicContact CD2-CG1 4.42Å; L32-V178 HydrophobicContact CD2-CG2 4.18Å; L32-L184 HydrophobicContact CD2-CD1 4.07Å; L32-L184 HydrophobicContact CG-CD1 4.39Å |
| 33 | W | 95.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.019 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.4 | -35.3 | 179.5 | 84.5 | -95.4 | 0 | 0 | 0 | 112.4 | V8 G23 P31 V36 A37 V49 Y58 S61 L63 C97 | V8-W33 HydrophobicContact CG1-CB 4.18Å; G23-W33 PolarHBondContact O-N 3.11Å; P31-W33 VanDerWaalsContact CB-CD1 3.41Å; P31-W33 HydrophobicContact CB-CG 4.4Å; P31-W33 PolarHBondContact O-N 2.77Å; W33-V36 PolarHBondContact O-N 2.83Å; W33-A37 HydrophobicContact CE3-CB 4.13Å; W33-A37 HydrophobicContact CZ3-CB 3.88Å; W33-A37 WeakPolarHBondContact O-CB 3.47Å; W33-A37 PolarHBondContact O-N 2.8Å; W33-V49 HydrophobicContact CE3-CB 4.43Å; W33-V49 HydrophobicContact CE3-CG2 4.13Å; W33-V49 HydrophobicContact CZ3-CB 4.3Å; W33-V49 HydrophobicContact CZ3-CG1 4.42Å; W33-V49 HydrophobicContact CZ3-CG2 4.46Å; W33-Y58 HydrophobicContact CB-CE1 4.03Å; W33-Y58 AromaticContact CD1-CD1 3.97Å; W33-Y58 AromaticContact CD1-CE1 3.47Å; W33-Y58 VanDerWaalsContact CD1-CE1 3.47Å; W33-Y58 AromaticContact CD2-CD1 3.66Å; W33-Y58 HydrophobicContact CD2-CD1 3.66Å; W33-Y58 AromaticContact CD2-CE1 3.71Å; W33-Y58 HydrophobicContact CD2-CE1 3.71Å; W33-Y58 AromaticContact CE2-CD1 3.6Å; W33-Y58 AromaticContact CE2-CE1 3.93Å; W33-Y58 HydrophobicContact CE3-CD1 4.17Å; W33-Y58 HydrophobicContact CE3-CE1 4.44Å; W33-Y58 AromaticContact CG-CD1 3.94Å; W33-Y58 HydrophobicContact CG-CD1 3.94Å; W33-Y58 AromaticContact CG-CE1 3.46Å; W33-Y58 HydrophobicContact CG-CE1 3.46Å; W33-Y58 VanDerWaalsContact CG-CE1 3.46Å; W33-Y58 HydrophobicContact CZ2-CD1 4.08Å; W33-Y58 AromaticContact NE1-CD1 3.76Å; W33-Y58 AromaticContact NE1-CE1 3.73Å; W33-S61 VanDerWaalsContact CH2-OG 3.31Å; W33-S61 WeakPolarHBondContact CH2-OG 3.3Å; W33-L63 HydrophobicContact CH2-CD1 4.27Å; W33-L63 HydrophobicContact CZ3-CD1 3.94Å; W33-C97 HydrophobicContact CB-CB 3.77Å; W33-C97 PolarHBondContact N-O 3.14Å |
| 34 | Q | 96.5 | Very high | 94.9 | Very high | 34 Ų | 34 | 37.9 Ų | 37.9 | 16% | 0.159 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -74.1 | -34 | -179.4 | -171.2 | 67.5 | 65.8 | 0 | 0 | 111 | K30 P31 L32 V36 A37 D38 | K30-Q34 HydrophobicContact CD-CB 4.2Å; K30-Q34 HydrophobicContact CD-CG 4.04Å; K30-Q34 HydrophobicContact CG-CB 3.96Å; K30-Q34 HydrophobicContact CG-CG 4.09Å; P31-Q34 HydrophobicContact CB-CB 4.28Å; P31-Q34 WeakPolarHBondContact O-CA 3.27Å; P31-Q34 WeakPolarHBondContact O-CB 3.47Å; P31-Q34 PolarHBondContact O-N 2.83Å; L32-Q34 PolarHBondContact O-N 2.93Å; Q34-V36 VanDerWaalsContact C-N 3.31Å; Q34-V36 PolarHBondContact O-N 3.41Å; Q34-A37 PolarHBondContact O-N 3.33Å; Q34-D38 PolarHBondContact NE2-OD1 3.41Å; Q34-D38 WeakPolarHBondContact O-CB 3.37Å; Q34-D38 PolarHBondContact O-N 3.05Å |
| 35 | H | 96.9 | Very high | 95.1 | Very high | 34 Ų | 34 | 42.2 Ų | 42.2 | 16% | 0.157 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.7 | -45.2 | 170.2 | -71.8 | -88.3 | 0 | 0 | 0 | 111.4 | L27 K30 P31 L32 D38 A39 P100 | L27-H35 PolarHBondContact O-NE2 2.99Å; K30-H35 WeakPolarHBondContact CB-NE2 3.06Å; K30-H35 PolarHBondContact O-CD2 3.29Å; K30-H35 PolarHBondContact O-NE2 2.95Å; P31-H35 PolarHBondContact O-CD2 2.85Å; P31-H35 VanDerWaalsContact O-CD2 3.28Å; P31-H35 PolarHBondContact O-N 3.24Å; L32-H35 WeakPolarHBondContact O-CB 3.39Å; L32-H35 PolarHBondContact O-N 3.1Å; L32-H35 VanDerWaalsContact O-N 3.13Å; H35-D38 PolarHBondContact O-N 3.11Å; H35-A39 WeakPolarHBondContact O-CB 3.39Å; H35-A39 PolarHBondContact O-N 2.76Å; H35-P100 HydrophobicContact CB-CB 3.6Å |
| 36 | V | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -44 | 176.9 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | V8 L32 W33 Q34 A39 L40 C95 T99 I102 | V8-V36 HydrophobicContact CG1-CB 4.35Å; V8-V36 HydrophobicContact CG1-CG1 4.45Å; V8-V36 HydrophobicContact CG2-CB 4.23Å; V8-V36 HydrophobicContact CG2-CG1 4.04Å; L32-V36 PolarHBondContact O-N 3Å; W33-V36 PolarHBondContact O-N 2.83Å; Q34-V36 VanDerWaalsContact C-N 3.31Å; Q34-V36 PolarHBondContact O-N 3.41Å; V36-A39 PolarHBondContact O-N 2.8Å; V36-L40 HydrophobicContact CG1-CD1 4.42Å; V36-L40 WeakPolarHBondContact O-CG 3.5Å; V36-L40 PolarHBondContact O-N 2.72Å; V36-C95 HydrophobicContact CG1-CB 3.65Å; V36-T99 WeakPolarHBondContact CG2-O 3.24Å; V36-I102 HydrophobicContact CG1-CD1 3.9Å |
| 37 | A | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V8 W33 Q34 A39 L40 M41 L63 | V8-A37 HydrophobicContact CG2-CB 3.96Å; W33-A37 HydrophobicContact CE3-CB 4.13Å; W33-A37 HydrophobicContact CZ3-CB 3.88Å; W33-A37 WeakPolarHBondContact O-CB 3.47Å; W33-A37 PolarHBondContact O-N 2.8Å; Q34-A37 PolarHBondContact O-N 3.33Å; A37-A39 VanDerWaalsContact C-N 3.34Å; A37-A39 PolarHBondContact O-N 2.86Å; A37-L40 PolarHBondContact O-N 3.46Å; A37-M41 HydrophobicContact CB-CE 4.45Å; A37-M41 WeakPolarHBondContact O-CG 3.5Å; A37-M41 PolarHBondContact O-N 2.71Å; A37-L63 HydrophobicContact CB-CD1 3.86Å |
| 38 | D | 97.9 | Very high | 96.3 | Very high | 50 Ų | 50 | 39.8 Ų | 39.8 | 27% | 0.267 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 178 | -67.6 | -7.7 | 0 | 0 | 0 | 110.6 | K30 Q34 H35 L40 M41 T42 | K30-D38 IonicContact NZ-OD2 2.69Å; K30-D38 PolarHBondContact NZ-OD2 2.95Å; Q34-D38 PolarHBondContact NE2-OD1 3.41Å; Q34-D38 WeakPolarHBondContact O-CB 3.37Å; Q34-D38 PolarHBondContact O-N 3.05Å; H35-D38 PolarHBondContact O-N 3.11Å; D38-L40 VanDerWaalsContact C-N 3.34Å; D38-L40 PolarHBondContact O-N 3.33Å; D38-M41 PolarHBondContact O-N 2.94Å; D38-M41 VanDerWaalsContact O-N 3.14Å; D38-M41 VanDerWaalsContact OD1-CE 3.27Å; D38-M41 WeakPolarHBondContact OD1-CE 3.44Å; D38-T42 WeakPolarHBondContact O-CG2 3.43Å; D38-T42 PolarHBondContact O-N 3.04Å; D38-T42 VanDerWaalsContact O-N 3.09Å |
| 39 | A | 98.1 | Very high | 96.6 | Very high | 17 Ų | 17 | 36.6 Ų | 36.6 | 14% | 0.14 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H35 V36 A37 T42 Q43 I102 | H35-A39 WeakPolarHBondContact O-CB 3.39Å; H35-A39 PolarHBondContact O-N 2.76Å; V36-A39 PolarHBondContact O-N 2.8Å; A37-A39 VanDerWaalsContact C-N 3.34Å; A37-A39 PolarHBondContact O-N 2.86Å; A39-T42 PolarHBondContact O-N 2.9Å; A39-T42 PolarHBondContact O-OG1 3.45Å; A39-Q43 PolarHBondContact O-NE2 2.94Å; A39-I102 HydrophobicContact CB-CD1 3.97Å; A39-I102 HydrophobicContact CB-CG1 3.57Å |
| 40 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -41.3 | 171.5 | -70.2 | 176.1 | 0 | 0 | 0 | 112.1 | V8 V36 A37 D38 T42 Q43 L44 V47 L93 C95 I102 | V8-L40 HydrophobicContact CG2-CD1 3.88Å; V36-L40 HydrophobicContact CG1-CD1 4.42Å; V36-L40 WeakPolarHBondContact O-CG 3.5Å; V36-L40 PolarHBondContact O-N 2.72Å; A37-L40 PolarHBondContact O-N 3.46Å; D38-L40 VanDerWaalsContact C-N 3.34Å; D38-L40 PolarHBondContact O-N 3.33Å; L40-T42 PolarHBondContact O-N 3.29Å; L40-Q43 VanDerWaalsContact O-CG 3.25Å; L40-Q43 WeakPolarHBondContact O-CG 3.47Å; L40-Q43 PolarHBondContact O-N 3.03Å; L40-L44 HydrophobicContact CD2-CD1 4.46Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 PolarHBondContact O-N 2.91Å; L40-V47 HydrophobicContact CB-CG1 4.24Å; L40-V47 HydrophobicContact CB-CG2 3.93Å; L40-V47 HydrophobicContact CD1-CG1 4.31Å; L40-L93 HydrophobicContact CD2-CD2 3.74Å; L40-L93 HydrophobicContact CD2-CG 4.14Å; L40-C95 HydrophobicContact CD1-CB 4.49Å; L40-I102 HydrophobicContact CD2-CD1 3.81Å; L40-I102 HydrophobicContact CG-CD1 3.91Å |
| 41 | M | 97.6 | Very high | 96.7 | Very high | 80 Ų | 80 | 30.4 Ų | 30.4 | 39% | 0.394 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.3 | -23.3 | 179.1 | -73.9 | -173.5 | -69.2 | 0 | 0 | 113.1 | A37 D38 Q43 V47 L63 | A37-M41 HydrophobicContact CB-CE 4.45Å; A37-M41 WeakPolarHBondContact O-CG 3.5Å; A37-M41 PolarHBondContact O-N 2.71Å; D38-M41 PolarHBondContact O-N 2.94Å; D38-M41 VanDerWaalsContact O-N 3.14Å; D38-M41 VanDerWaalsContact OD1-CE 3.27Å; D38-M41 WeakPolarHBondContact OD1-CE 3.44Å; M41-Q43 PolarHBondContact O-N 3.23Å; M41-V47 HydrophobicContact CB-CG2 4.48Å; M41-V47 HydrophobicContact CG-CB 3.97Å; M41-V47 HydrophobicContact CG-CG1 4.49Å; M41-V47 HydrophobicContact CG-CG2 3.62Å; M41-L63 HydrophobicContact SD-CD2 4.11Å |
| 42 | T | 97.5 | Very high | 96.5 | Very high | 103 Ų | 103 | 29.3 Ų | 29.3 | 63% | 0.632 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -20.5 | 172.3 | 66.3 | 0 | 0 | 0 | 0 | 114 | D38 A39 L40 | D38-T42 WeakPolarHBondContact O-CG2 3.43Å; D38-T42 PolarHBondContact O-N 3.04Å; D38-T42 VanDerWaalsContact O-N 3.09Å; A39-T42 PolarHBondContact O-N 2.9Å; A39-T42 PolarHBondContact O-OG1 3.45Å; L40-T42 PolarHBondContact O-N 3.29Å |
| 43 | Q | 97.7 | Very high | 96.2 | Very high | 43 Ų | 43 | 33.4 Ų | 33.4 | 20% | 0.201 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -14.4 | -172.5 | 57.4 | -173.7 | -68.8 | 0 | 0 | 113.7 | A39 L40 M41 P103 A107 | A39-Q43 PolarHBondContact O-NE2 2.94Å; L40-Q43 VanDerWaalsContact O-CG 3.25Å; L40-Q43 WeakPolarHBondContact O-CG 3.47Å; L40-Q43 PolarHBondContact O-N 3.03Å; M41-Q43 PolarHBondContact O-N 3.23Å; Q43-P103 PolarHBondContact NE2-O 3Å; Q43-A107 VanDerWaalsContact OE1-CB 3.26Å |
| 44 | L | 97.6 | Very high | 95.9 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | trans | -132.5 | 138.1 | -178.6 | -61.9 | 177.8 | 0 | 0 | 0 | 111.2 | I4 G6 L40 V47 L93 A107 | I4-L44 HydrophobicContact CB-CD2 3.72Å; I4-L44 HydrophobicContact CG2-CD1 3.98Å; I4-L44 HydrophobicContact CG2-CD2 4Å; G6-L44 VanDerWaalsContact CA-CD1 3.47Å; L40-L44 HydrophobicContact CD2-CD1 4.46Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 PolarHBondContact O-N 2.91Å; L44-V47 HydrophobicContact CB-CG2 4.32Å; L44-L93 HydrophobicContact CD1-CB 4.13Å; L44-L93 HydrophobicContact CD1-CD2 4.1Å; L44-A107 HydrophobicContact CD2-CB 4.11Å | ||
| 45 | S | 95.4 | Very high | 95.5 | Very high | 130 Ų | 130 | 37.6 Ų | 37.6 | 91% | 0.909 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -81.3 | -17.4 | -179 | 53.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 46 | H | 97.5 | Very high | 95.1 | Very high | 77 Ų | 77 | 43.8 Ų | 43.8 | 36% | 0.356 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 118.1 | 179.8 | -174.7 | 49.8 | 0 | 0 | 0 | 109.9 | G6 E87 | G6-H46 PolarHBondContact N-O 2.95Å; H46-E87 IonicContact CD2-OE2 2.86Å; H46-E87 IonicContact CE1-OE2 3.7Å; H46-E87 IonicContact NE2-OE2 3.59Å; H46-E87 PolarHBondContact NE2-OE2 2.9Å |
| 47 | V | 98.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 48 Ų | 48 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136 | -177.6 | -179.9 | 0 | 0 | 0 | 0 | 109.4 | G6 L40 M41 L44 L63 | G6-V47 CarbonylContact O-C 3.57Å; G6-V47 VanDerWaalsContact O-CA 3.32Å; G6-V47 WeakPolarHBondContact O-CA 3.4Å; L40-V47 HydrophobicContact CB-CG1 4.24Å; L40-V47 HydrophobicContact CB-CG2 3.93Å; L40-V47 HydrophobicContact CD1-CG1 4.31Å; M41-V47 HydrophobicContact CB-CG2 4.48Å; M41-V47 HydrophobicContact CG-CB 3.97Å; M41-V47 HydrophobicContact CG-CG1 4.49Å; M41-V47 HydrophobicContact CG-CG2 3.62Å; L44-V47 HydrophobicContact CB-CG2 4.32Å; V47-L63 HydrophobicContact CG1-CD1 4.38Å |
| 48 | V | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 163.3 | 177 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | T5 G6 V7 V8 K64 I66 V83 E87 | T5-V48 HydrophobicContact CG2-CG2 4.14Å; G6-V48 PolarHBondContact O-N 3.45Å; V7-V48 WeakPolarHBondContact CA-O 3.37Å; V7-V48 HydrophobicContact CB-CG2 4.44Å; V7-V48 HydrophobicContact CG1-CG2 4.27Å; V7-V48 HydrophobicContact CG2-CG2 3.99Å; V8-V48 PolarHBondContact N-O 3.03Å; V48-K64 HydrophobicContact CG1-CB 3.99Å; V48-K64 HydrophobicContact CG1-CD 4.48Å; V48-I66 HydrophobicContact CB-CD1 4.13Å; V48-I66 HydrophobicContact CG1-CD1 4.47Å; V48-I66 HydrophobicContact CG2-CD1 3.87Å; V48-V83 HydrophobicContact CG2-CG1 4.14Å; V48-E87 HydrophobicContact CG1-CG 4.47Å; V48-E87 HydrophobicContact CG2-CG 4.35Å |
| 49 | V | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.6 | 175.6 | 59.5 | 0 | 0 | 0 | 0 | 110 | V8 A10 W33 A51 Y58 K64 V65 I66 | V8-V49 HydrophobicContact CB-CB 4.35Å; V8-V49 HydrophobicContact CB-CG2 4.12Å; V8-V49 HydrophobicContact CG1-CG2 4.36Å; V8-V49 WeakPolarHBondContact O-CA 3.45Å; A10-V49 HydrophobicContact CB-CG2 4.1Å; W33-V49 HydrophobicContact CE3-CB 4.43Å; W33-V49 HydrophobicContact CE3-CG2 4.13Å; W33-V49 HydrophobicContact CZ3-CB 4.3Å; W33-V49 HydrophobicContact CZ3-CG1 4.42Å; W33-V49 HydrophobicContact CZ3-CG2 4.46Å; V49-A51 HydrophobicContact CG2-CB 4.38Å; V49-Y58 HydrophobicContact CG1-CD1 4.47Å; V49-Y58 HydrophobicContact CG2-CD1 3.92Å; V49-Y58 HydrophobicContact CG2-CE1 4.27Å; V49-K64 PolarHBondContact N-O 2.8Å; V49-V65 HydrophobicContact CG1-CB 4.17Å; V49-V65 HydrophobicContact CG1-CG1 4.29Å; V49-V65 HydrophobicContact CG1-CG2 3.65Å; V49-V65 CarbonylContact O-C 3.6Å; V49-V65 WeakPolarHBondContact O-CA 3.28Å; V49-I66 PolarHBondContact O-N 2.92Å |
| 50 | N | 95.9 | Very high | 94.1 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 113 | 167.8 | 167.9 | -111.9 | 0 | 0 | 0 | 109.2 | V8 L9 A10 G11 I66 D68 G79 V83 | V8-N50 PolarHBondContact O-N 3.07Å; L9-N50 HydrophobicContact CD2-CB 4.1Å; A10-N50 CarbonylContact C-O 3.28Å; A10-N50 VanDerWaalsContact CA-O 3.28Å; A10-N50 WeakPolarHBondContact CA-O 3.5Å; A10-N50 WeakPolarHBondContact CB-O 3.43Å; A10-N50 PolarHBondContact N-O 2.93Å; G11-N50 PolarHBondContact N-O 3.17Å; N50-I66 WeakPolarHBondContact CA-O 3.47Å; N50-I66 PolarHBondContact ND2-O 2.82Å; N50-D68 PolarHBondContact ND2-OD1 2.94Å; N50-D68 PolarHBondContact OD1-OD1 3.21Å; N50-G79 VanDerWaalsContact OD1-CA 3.29Å; N50-G79 WeakPolarHBondContact OD1-CA 3.5Å; N50-V83 HydrophobicContact CB-CG2 3.8Å |
| 51 | A | 92.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -142.7 | 141 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | A10 V49 Y58 V65 I66 | A10-A51 HydrophobicContact CB-CB 4.2Å; V49-A51 HydrophobicContact CG2-CB 4.38Å; A51-Y58 HydrophobicContact CB-CD1 4.25Å; A51-Y58 HydrophobicContact CB-CD2 3.65Å; A51-Y58 HydrophobicContact CB-CE1 4.34Å; A51-Y58 HydrophobicContact CB-CE2 3.79Å; A51-Y58 HydrophobicContact CB-CG 3.91Å; A51-V65 HydrophobicContact CB-CG1 4.02Å; A51-I66 PolarHBondContact N-O 2.83Å; A51-I66 VanDerWaalsContact N-O 3.13Å | ||
| 52 | N | 89.4 | Confident | 93.6 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.053 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -114.4 | 2.6 | -174.1 | -69.4 | -46.7 | 0 | 0 | 0 | 113 | G11 D68 Y73 | G11-N52 VanDerWaalsContact CA-ND2 3.29Å; G11-N52 WeakPolarHBondContact CA-ND2 3.14Å; G11-N52 PolarHBondContact O-ND2 2.86Å; N52-D68 PolarHBondContact ND2-OD1 3.34Å; N52-D68 PolarHBondContact ND2-OD2 3.13Å; N52-D68 WeakPolarHBondContact OD1-CB 3.48Å; N52-D68 PolarHBondContact OD1-N 2.84Å; N52-D68 PolarHBondContact OD1-OD1 3.01Å; N52-Y73 HydrophobicContact CB-CD1 3.83Å; N52-Y73 HydrophobicContact CB-CD2 4.46Å; N52-Y73 HydrophobicContact CB-CE1 3.47Å; N52-Y73 VanDerWaalsContact CB-CE1 3.47Å; N52-Y73 HydrophobicContact CB-CE2 4.14Å; N52-Y73 HydrophobicContact CB-CG 4.31Å; N52-Y73 VanDerWaalsContact ND2-CD1 3.31Å; N52-Y73 WeakPolarHBondContact ND2-CD1 3.25Å; N52-Y73 WeakPolarHBondContact OD1-CE1 3.41Å |
| 53 | R | 87.2 | Confident | 93.5 | Very high | 85 Ų | 85 | 52.3 Ų | 52.3 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -148 | 155.3 | -176.7 | -64.2 | -179.7 | 62.1 | -162 | -5.9 | 108.7 | G19 Q55 Y58 | G19-R53 PolarHBondContact O-NH1 2.76Å; G19-R53 PolarHBondContact O-NH2 3.24Å; R53-Q55 PolarHBondContact O-N 3.09Å; R53-Y58 WeakPolarHBondContact O-CD2 3.02Å; R53-Y58 WeakPolarHBondContact O-CE2 3.14Å |
| 54 | H | 88.9 | Confident | 93.5 | Very high | 73 Ų | 73 | 55 Ų | 55 | 34% | 0.338 | 31% | 0.309 | S | S | . | . | trans | 52.1 | 39.6 | 176.2 | -46.9 | 113.8 | 0 | 0 | 0 | 113 | D21 L24 E56 I57 Y58 | D21-H54 IonicContact OD2-CE1 2.65Å; D21-H54 IonicContact OD2-CG 3.94Å; D21-H54 IonicContact OD2-ND1 3.75Å; D21-H54 PolarHBondContact OD2-ND1 2.65Å; L24-H54 HydrophobicContact CD1-CB 3.94Å; H54-E56 PolarHBondContact O-N 3.12Å; H54-E56 VanDerWaalsContact O-N 3.13Å; H54-I57 HydrophobicContact CB-CB 4.25Å; H54-I57 HydrophobicContact CB-CD1 3.96Å; H54-I57 HydrophobicContact CB-CG1 4.13Å; H54-I57 WeakPolarHBondContact O-CB 3.49Å; H54-I57 PolarHBondContact O-N 3.33Å; H54-Y58 HydrophobicContact CB-CD2 4.5Å; H54-Y58 HydrophobicContact CB-CE2 4.35Å; H54-Y58 WeakPolarHBondContact O-CD2 3.35Å; H54-Y58 PolarHBondContact O-N 2.9Å | ||
| 55 | Q | 87.1 | Confident | 93.5 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -50.8 | -42.9 | -173.2 | -67.4 | 83.8 | -21.4 | 0 | 0 | 111.5 | R53 I57 Y58 Q59 E67 | R53-Q55 PolarHBondContact O-N 3.09Å; Q55-I57 VanDerWaalsContact C-N 3.29Å; Q55-I57 PolarHBondContact O-N 3.05Å; Q55-Y58 PolarHBondContact O-N 2.89Å; Q55-Q59 WeakPolarHBondContact O-CB 3.3Å; Q55-Q59 WeakPolarHBondContact O-CG 3.33Å; Q55-Q59 PolarHBondContact O-N 2.84Å; Q55-E67 HydrophobicContact CG-CG 4.33Å; Q55-E67 PolarHBondContact NE2-OE2 2.72Å |
| 56 | E | 89.9 | Confident | 93.5 | Very high | 163 Ų | 163 | 49 Ų | 49 | 76% | 0.762 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -58 | -37.8 | 177.8 | -62.7 | 178.8 | -175.7 | 0 | 0 | 113 | H54 Q59 A60 | H54-E56 PolarHBondContact O-N 3.12Å; H54-E56 VanDerWaalsContact O-N 3.13Å; E56-Q59 PolarHBondContact O-N 3.15Å; E56-A60 PolarHBondContact O-N 2.99Å; E56-A60 VanDerWaalsContact O-N 3.07Å |
| 57 | I | 91.4 | Very high | 93.2 | Very high | 90 Ų | 90 | 49.6 Ų | 49.6 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | 178.7 | -56.7 | -174.9 | 0 | 0 | 0 | 110.3 | L24 H54 Q55 A60 | L24-I57 HydrophobicContact CD1-CB 4.46Å; L24-I57 HydrophobicContact CD1-CD1 3.88Å; L24-I57 HydrophobicContact CD1-CG2 4.17Å; L24-I57 HydrophobicContact CD2-CB 4.49Å; L24-I57 HydrophobicContact CD2-CG2 3.67Å; H54-I57 HydrophobicContact CB-CB 4.25Å; H54-I57 HydrophobicContact CB-CD1 3.96Å; H54-I57 HydrophobicContact CB-CG1 4.13Å; H54-I57 WeakPolarHBondContact O-CB 3.49Å; H54-I57 PolarHBondContact O-N 3.33Å; Q55-I57 VanDerWaalsContact C-N 3.29Å; Q55-I57 PolarHBondContact O-N 3.05Å; I57-A60 WeakPolarHBondContact O-CB 3.46Å; I57-A60 PolarHBondContact O-N 3.38Å |
| 58 | Y | 92.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 176.2 | -71.3 | -81.2 | 0 | 0 | 0 | 111.9 | A10 D21 L24 W33 V49 A51 R53 H54 Q55 A60 S61 | A10-Y58 HydrophobicContact CB-CE1 3.8Å; D21-Y58 PolarHBondContact OD1-OH 2.84Å; D21-Y58 PolarHBondContact OD2-OH 3.16Å; L24-Y58 HydrophobicContact CD2-CE1 4.15Å; L24-Y58 HydrophobicContact CD2-CE2 4.08Å; L24-Y58 HydrophobicContact CG-CE2 4.31Å; W33-Y58 HydrophobicContact CB-CE1 4.03Å; W33-Y58 AromaticContact CD1-CD1 3.97Å; W33-Y58 AromaticContact CD1-CE1 3.47Å; W33-Y58 VanDerWaalsContact CD1-CE1 3.47Å; W33-Y58 AromaticContact CD2-CD1 3.66Å; W33-Y58 HydrophobicContact CD2-CD1 3.66Å; W33-Y58 AromaticContact CD2-CE1 3.71Å; W33-Y58 HydrophobicContact CD2-CE1 3.71Å; W33-Y58 AromaticContact CE2-CD1 3.6Å; W33-Y58 AromaticContact CE2-CE1 3.93Å; W33-Y58 HydrophobicContact CE3-CD1 4.17Å; W33-Y58 HydrophobicContact CE3-CE1 4.44Å; W33-Y58 AromaticContact CG-CD1 3.94Å; W33-Y58 HydrophobicContact CG-CD1 3.94Å; W33-Y58 AromaticContact CG-CE1 3.46Å; W33-Y58 HydrophobicContact CG-CE1 3.46Å; W33-Y58 VanDerWaalsContact CG-CE1 3.46Å; W33-Y58 HydrophobicContact CZ2-CD1 4.08Å; W33-Y58 AromaticContact NE1-CD1 3.76Å; W33-Y58 AromaticContact NE1-CE1 3.73Å; V49-Y58 HydrophobicContact CG1-CD1 4.47Å; V49-Y58 HydrophobicContact CG2-CD1 3.92Å; V49-Y58 HydrophobicContact CG2-CE1 4.27Å; A51-Y58 HydrophobicContact CB-CD1 4.25Å; A51-Y58 HydrophobicContact CB-CD2 3.65Å; A51-Y58 HydrophobicContact CB-CE1 4.34Å; A51-Y58 HydrophobicContact CB-CE2 3.79Å; A51-Y58 HydrophobicContact CB-CG 3.91Å; R53-Y58 WeakPolarHBondContact O-CD2 3.02Å; R53-Y58 WeakPolarHBondContact O-CE2 3.14Å; H54-Y58 HydrophobicContact CB-CD2 4.5Å; H54-Y58 HydrophobicContact CB-CE2 4.35Å; H54-Y58 WeakPolarHBondContact O-CD2 3.35Å; H54-Y58 PolarHBondContact O-N 2.9Å; Q55-Y58 PolarHBondContact O-N 2.89Å; Y58-A60 PolarHBondContact O-N 3.5Å; Y58-S61 WeakPolarHBondContact O-CB 3.42Å; Y58-S61 PolarHBondContact O-N 3.43Å; Y58-S61 PolarHBondContact O-OG 2.97Å |
| 59 | Q | 92.8 | Very high | 92.4 | Very high | 105 Ų | 105 | 53.1 Ų | 53.1 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.3 | -27.3 | 178.2 | -74.5 | 172.5 | -6 | 0 | 0 | 112.6 | Q55 E56 S61 G62 V65 | Q55-Q59 WeakPolarHBondContact O-CB 3.3Å; Q55-Q59 WeakPolarHBondContact O-CG 3.33Å; Q55-Q59 PolarHBondContact O-N 2.84Å; E56-Q59 PolarHBondContact O-N 3.15Å; Q59-S61 PolarHBondContact O-N 2.9Å; Q59-G62 PolarHBondContact O-N 3.41Å; Q59-V65 HydrophobicContact CB-CG2 4.28Å; Q59-V65 HydrophobicContact CG-CB 4.06Å; Q59-V65 HydrophobicContact CG-CG2 3.46Å; Q59-V65 VanDerWaalsContact CG-CG2 3.46Å |
| 60 | A | 93.2 | Very high | 91.7 | Very high | 89 Ų | 89 | 55.8 Ų | 55.8 | 74% | 0.736 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E56 I57 Y58 G62 | E56-A60 PolarHBondContact O-N 2.99Å; E56-A60 VanDerWaalsContact O-N 3.07Å; I57-A60 WeakPolarHBondContact O-CB 3.46Å; I57-A60 PolarHBondContact O-N 3.38Å; Y58-A60 PolarHBondContact O-N 3.5Å; A60-G62 VanDerWaalsContact C-N 3.29Å |
| 61 | S | 90.2 | Very high | 90.7 | Very high | 44 Ų | 44 | 59.7 Ų | 59.7 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -16.8 | 172.4 | 67.7 | 0 | 0 | 0 | 0 | 114.8 | W33 Y58 Q59 L63 | W33-S61 VanDerWaalsContact CH2-OG 3.31Å; W33-S61 WeakPolarHBondContact CH2-OG 3.3Å; Y58-S61 WeakPolarHBondContact O-CB 3.42Å; Y58-S61 PolarHBondContact O-N 3.43Å; Y58-S61 PolarHBondContact O-OG 2.97Å; Q59-S61 PolarHBondContact O-N 2.9Å; S61-L63 VanDerWaalsContact C-N 3.29Å; S61-L63 PolarHBondContact OG-N 3.45Å; S61-L63 VanDerWaalsContact OG-N 3.1Å |
| 62 | G | 94.6 | Very high | 89.8 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 72% | 0.722 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 82.2 | -3.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q59 A60 | Q59-G62 PolarHBondContact O-N 3.41Å; A60-G62 VanDerWaalsContact C-N 3.29Å |
| 63 | L | 96.4 | Very high | 88.9 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 17% | 0.168 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -78.9 | 148.3 | 174.1 | -61.4 | 179.9 | 0 | 0 | 0 | 111.5 | W33 A37 M41 V47 S61 V65 | W33-L63 HydrophobicContact CH2-CD1 4.27Å; W33-L63 HydrophobicContact CZ3-CD1 3.94Å; A37-L63 HydrophobicContact CB-CD1 3.86Å; M41-L63 HydrophobicContact SD-CD2 4.11Å; V47-L63 HydrophobicContact CG1-CD1 4.38Å; S61-L63 VanDerWaalsContact C-N 3.29Å; S61-L63 PolarHBondContact OG-N 3.45Å; S61-L63 VanDerWaalsContact OG-N 3.1Å; L63-V65 PolarHBondContact O-N 2.77Å |
| 64 | K | 97.3 | Very high | 88.2 | Confident | 98 Ų | 98 | 66.4 Ų | 66.4 | 43% | 0.426 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 125.7 | 173.5 | -177.3 | 179.6 | 173 | -172.6 | 0 | 109.4 | V48 V49 I66 Q86 E87 | V48-K64 HydrophobicContact CG1-CB 3.99Å; V48-K64 HydrophobicContact CG1-CD 4.48Å; V49-K64 PolarHBondContact N-O 2.8Å; K64-I66 HydrophobicContact CD-CG1 4.42Å; K64-I66 HydrophobicContact CG-CG1 4.26Å; K64-Q86 PolarHBondContact NZ-O 3.13Å; K64-Q86 VanDerWaalsContact NZ-O 3.1Å; K64-E87 VanDerWaalsContact CD-OE1 3.27Å; K64-E87 WeakPolarHBondContact CD-OE1 3.44Å; K64-E87 WeakPolarHBondContact CE-OE1 3.37Å; K64-E87 IonicContact NZ-OE1 3.55Å; K64-E87 PolarHBondContact NZ-OE1 2.8Å |
| 65 | V | 96.4 | Very high | 88 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 15% | 0.145 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 129 | 174.4 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | V49 A51 Q59 L63 | V49-V65 HydrophobicContact CG1-CB 4.17Å; V49-V65 HydrophobicContact CG1-CG1 4.29Å; V49-V65 HydrophobicContact CG1-CG2 3.65Å; V49-V65 CarbonylContact O-C 3.6Å; V49-V65 WeakPolarHBondContact O-CA 3.28Å; A51-V65 HydrophobicContact CB-CG1 4.02Å; Q59-V65 HydrophobicContact CB-CG2 4.28Å; Q59-V65 HydrophobicContact CG-CB 4.06Å; Q59-V65 HydrophobicContact CG-CG2 3.46Å; Q59-V65 VanDerWaalsContact CG-CG2 3.46Å; L63-V65 PolarHBondContact O-N 2.77Å |
| 66 | I | 95.5 | Very high | 88.3 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.2 | -178 | -62.2 | 177.3 | 0 | 0 | 0 | 109.3 | V48 V49 N50 A51 K64 V83 Q86 E87 | V48-I66 HydrophobicContact CB-CD1 4.13Å; V48-I66 HydrophobicContact CG1-CD1 4.47Å; V48-I66 HydrophobicContact CG2-CD1 3.87Å; V49-I66 PolarHBondContact O-N 2.92Å; N50-I66 WeakPolarHBondContact CA-O 3.47Å; N50-I66 PolarHBondContact ND2-O 2.82Å; A51-I66 PolarHBondContact N-O 2.83Å; A51-I66 VanDerWaalsContact N-O 3.13Å; K64-I66 HydrophobicContact CD-CG1 4.42Å; K64-I66 HydrophobicContact CG-CG1 4.26Å; I66-V83 HydrophobicContact CB-CG2 4.14Å; I66-V83 HydrophobicContact CD1-CB 4.42Å; I66-V83 HydrophobicContact CD1-CG1 4.09Å; I66-V83 HydrophobicContact CD1-CG2 4.08Å; I66-V83 HydrophobicContact CG2-CG2 3.92Å; I66-Q86 HydrophobicContact CD1-CB 4.5Å; I66-Q86 HydrophobicContact CG2-CB 4.09Å; I66-Q86 HydrophobicContact CG2-CG 4.41Å; I66-Q86 VanDerWaalsContact CG2-NE2 3.3Å; I66-E87 HydrophobicContact CD1-CG 3.62Å |
| 67 | E | 92.8 | Very high | 88.6 | Confident | 89 Ų | 89 | 56.7 Ų | 56.7 | 42% | 0.416 | 35% | 0.347 | S | S | . | . | trans | -89.9 | 153.7 | 177.8 | -60.5 | -176.8 | -114.3 | 0 | 0 | 111 | Q55 Q86 | Q55-E67 HydrophobicContact CG-CG 4.33Å; Q55-E67 PolarHBondContact NE2-OE2 2.72Å; E67-Q86 PolarHBondContact O-NE2 3.2Å | ||
| 68 | D | 92 | Very high | 88.7 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 11% | 0.112 | 33% | 0.325 | C | S | . | . | trans | -64.5 | 134.8 | 175.8 | -75.7 | 19.2 | 0 | 0 | 0 | 110.7 | N50 N52 L70 Y73 G79 S82 | N50-D68 PolarHBondContact ND2-OD1 2.94Å; N50-D68 PolarHBondContact OD1-OD1 3.21Å; N52-D68 PolarHBondContact ND2-OD1 3.34Å; N52-D68 PolarHBondContact ND2-OD2 3.13Å; N52-D68 WeakPolarHBondContact OD1-CB 3.48Å; N52-D68 PolarHBondContact OD1-N 2.84Å; N52-D68 PolarHBondContact OD1-OD1 3.01Å; D68-L70 VanDerWaalsContact C-N 3.33Å; D68-Y73 HydrophobicContact CB-CD1 3.75Å; D68-Y73 HydrophobicContact CB-CE1 4.01Å; D68-G79 WeakPolarHBondContact OD1-CA 3.22Å; D68-S82 VanDerWaalsContact CA-OG 3.25Å; D68-S82 WeakPolarHBondContact CA-OG 3.43Å | ||
| 69 | S | 86.8 | Confident | 88.8 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 44% | 0.441 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -77 | -22.6 | 172.8 | 61.3 | 0 | 0 | 0 | 0 | 112.6 | S82 Q85 | S69-S82 PolarHBondContact N-OG 2.95Å; S69-S82 PolarHBondContact OG-OG 2.88Å; S69-Q85 PolarHBondContact OG-OE1 3.35Å |
| 70 | L | 82.1 | Confident | 89 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 29% | 0.288 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -93.2 | 131.1 | 179.8 | -63.2 | 179.5 | 0 | 0 | 0 | 111.3 | D68 P74 A78 L81 L147 | D68-L70 VanDerWaalsContact C-N 3.33Å; L70-P74 HydrophobicContact CD1-CG 4.4Å; L70-A78 HydrophobicContact CD1-CB 4.2Å; L70-L81 HydrophobicContact CD1-CD2 4.2Å; L70-L147 HydrophobicContact CD1-CB 4.22Å; L70-L147 HydrophobicContact CD1-CD1 3.99Å |
| 71 | A | 75.6 | Confident | 89.2 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 71% | 0.711 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 157.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y73 | A71-Y73 PolarHBondContact O-N 3.42Å; A71-Y73 VanDerWaalsContact O-N 3.14Å |
| 72 | D | 72.9 | Confident | 89.5 | Confident | 128 Ų | 128 | 41.1 Ų | 41.1 | 68% | 0.684 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 18.1 | 178.3 | -63.8 | -36.7 | 0 | 0 | 0 | 116 | K13 | K13-D72 WeakPolarHBondContact CE-O 3.08Å; K13-D72 PolarHBondContact NZ-O 3.37Å |
| 73 | Y | 71 | Confident | 89.6 | Confident | 83 Ų | 83 | 37.8 Ų | 37.8 | 33% | 0.325 | 22% | 0.218 | S | C | . | . | trans | 38.8 | 63.5 | 167.4 | -45.7 | -55.1 | 0 | 0 | 0 | 113.9 | K13 N52 D68 A71 G75 | K13-Y73 WeakPolarHBondContact CE-O 3.38Å; N52-Y73 HydrophobicContact CB-CD1 3.83Å; N52-Y73 HydrophobicContact CB-CD2 4.46Å; N52-Y73 HydrophobicContact CB-CE1 3.47Å; N52-Y73 VanDerWaalsContact CB-CE1 3.47Å; N52-Y73 HydrophobicContact CB-CE2 4.14Å; N52-Y73 HydrophobicContact CB-CG 4.31Å; N52-Y73 VanDerWaalsContact ND2-CD1 3.31Å; N52-Y73 WeakPolarHBondContact ND2-CD1 3.25Å; N52-Y73 WeakPolarHBondContact OD1-CE1 3.41Å; D68-Y73 HydrophobicContact CB-CD1 3.75Å; D68-Y73 HydrophobicContact CB-CE1 4.01Å; A71-Y73 PolarHBondContact O-N 3.42Å; A71-Y73 VanDerWaalsContact O-N 3.14Å; Y73-G75 PolarHBondContact O-N 2.95Å | ||
| 74 | P | 73 | Confident | 89.6 | Confident | 25 Ų | 25 | 36.3 Ų | 36.3 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | trans | -72 | 3.7 | -162.6 | 27.4 | -34.1 | 0 | 0 | 0 | 115.1 | L70 A78 R152 | L70-P74 HydrophobicContact CD1-CG 4.4Å; P74-A78 HydrophobicContact CG-CB 3.69Å; P74-R152 HydrophobicContact CB-CG 4.34Å; P74-R152 VanDerWaalsContact CB-NE 3.29Å; P74-R152 WeakPolarHBondContact O-CD 3.46Å | ||
| 75 | G | 85.4 | Confident | 89.6 | Confident | 30 Ų | 30 | 35.4 Ų | 35.4 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 137.9 | -173.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y73 L77 A78 | Y73-G75 PolarHBondContact O-N 2.95Å; G75-L77 PolarHBondContact O-N 3.46Å; G75-L77 VanDerWaalsContact O-N 3.13Å; G75-A78 PolarHBondContact O-N 3.14Å |
| 76 | P | 92.8 | Very high | 89.6 | Confident | 54 Ų | 54 | 38.3 Ų | 38.3 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.6 | -34.4 | -175.6 | -26.8 | 34.8 | 0 | 0 | 0 | 114.2 | L9 A78 G79 M80 T131 V154 | L9-P76 HydrophobicContact CD1-CB 4.41Å; P76-A78 VanDerWaalsContact C-N 3.28Å; P76-A78 PolarHBondContact O-N 3.38Å; P76-G79 PolarHBondContact O-N 2.98Å; P76-M80 WeakPolarHBondContact O-CG 3.42Å; P76-M80 PolarHBondContact O-N 2.68Å; P76-T131 HydrophobicContact CB-CG2 3.59Å; P76-T131 HydrophobicContact CG-CG2 3.8Å; P76-V154 HydrophobicContact CG-CG2 4.4Å |
| 77 | L | 95.5 | Very high | 89.7 | Confident | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -32.7 | 178.2 | -70.4 | -173 | 0 | 0 | 0 | 113.1 | G75 M80 L81 L143 Y146 L147 V154 F157 | G75-L77 PolarHBondContact O-N 3.46Å; G75-L77 VanDerWaalsContact O-N 3.13Å; L77-M80 HydrophobicContact CD2-SD 3.91Å; L77-M80 PolarHBondContact O-N 2.88Å; L77-L81 WeakPolarHBondContact O-CB 3.3Å; L77-L81 PolarHBondContact O-N 2.66Å; L77-L143 HydrophobicContact CB-CD1 3.95Å; L77-L143 HydrophobicContact CD1-CD1 4.25Å; L77-L143 HydrophobicContact CD2-CD1 3.96Å; L77-L143 HydrophobicContact CG-CD1 4.25Å; L77-Y146 HydrophobicContact CD1-CD1 4.08Å; L77-Y146 HydrophobicContact CD1-CE1 3.89Å; L77-L147 HydrophobicContact CB-CD1 4.35Å; L77-L147 HydrophobicContact CB-CD2 3.95Å; L77-L147 HydrophobicContact CB-CG 4.49Å; L77-V154 HydrophobicContact CD2-CG1 4.14Å; L77-V154 HydrophobicContact CG-CG2 4.27Å; L77-F157 HydrophobicContact CD1-CB 3.82Å; L77-F157 HydrophobicContact CD1-CD1 4.35Å; L77-F157 HydrophobicContact CD1-CG 4.06Å; L77-F157 HydrophobicContact CD2-CB 4.47Å; L77-F157 HydrophobicContact CD2-CD1 3.69Å; L77-F157 HydrophobicContact CD2-CE1 4.34Å; L77-F157 HydrophobicContact CD2-CG 4.25Å |
| 78 | A | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.5 | -40.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L70 P74 G75 P76 M80 L81 S82 | L70-A78 HydrophobicContact CD1-CB 4.2Å; P74-A78 HydrophobicContact CG-CB 3.69Å; G75-A78 PolarHBondContact O-N 3.14Å; P76-A78 VanDerWaalsContact C-N 3.28Å; P76-A78 PolarHBondContact O-N 3.38Å; A78-M80 VanDerWaalsContact C-N 3.34Å; A78-L81 PolarHBondContact O-N 2.98Å; A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.31Å; A78-S82 PolarHBondContact O-N 3.28Å; A78-S82 PolarHBondContact O-OG 3.4Å |
| 79 | G | 95 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N50 D68 P76 S82 V83 | N50-G79 VanDerWaalsContact OD1-CA 3.29Å; N50-G79 WeakPolarHBondContact OD1-CA 3.5Å; D68-G79 WeakPolarHBondContact OD1-CA 3.22Å; P76-G79 PolarHBondContact O-N 2.98Å; G79-S82 PolarHBondContact O-N 3.15Å; G79-V83 WeakPolarHBondContact O-CG2 3.26Å; G79-V83 PolarHBondContact O-N 3.48Å |
| 80 | M | 96.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.9 | -51.8 | 174.4 | -68.9 | 176.3 | 177.4 | 0 | 0 | 111.7 | L9 P76 L77 A78 S82 V83 M84 F94 T131 L143 M158 | L9-M80 HydrophobicContact CD1-CE 3.98Å; L9-M80 HydrophobicContact CD1-CG 4.26Å; P76-M80 WeakPolarHBondContact O-CG 3.42Å; P76-M80 PolarHBondContact O-N 2.68Å; L77-M80 HydrophobicContact CD2-SD 3.91Å; L77-M80 PolarHBondContact O-N 2.88Å; A78-M80 VanDerWaalsContact C-N 3.34Å; M80-S82 VanDerWaalsContact C-N 3.34Å; M80-S82 PolarHBondContact O-N 2.87Å; M80-V83 PolarHBondContact O-N 3.23Å; M80-M84 VanDerWaalsContact O-CG 3.24Å; M80-M84 WeakPolarHBondContact O-CG 3.11Å; M80-M84 PolarHBondContact O-N 2.61Å; M80-F94 HydrophobicContact CB-CD1 4.49Å; M80-F94 HydrophobicContact CB-CE1 4.06Å; M80-F94 HydrophobicContact CB-CE2 4.15Å; M80-F94 HydrophobicContact CB-CZ 3.87Å; M80-F94 HydrophobicContact CE-CB 3.98Å; M80-F94 HydrophobicContact CE-CD2 4.29Å; M80-F94 HydrophobicContact CE-CG 4.14Å; M80-F94 HydrophobicContact CG-CD1 3.82Å; M80-F94 HydrophobicContact CG-CD2 3.93Å; M80-F94 HydrophobicContact CG-CE1 3.89Å; M80-F94 HydrophobicContact CG-CE2 3.97Å; M80-F94 HydrophobicContact CG-CG 3.85Å; M80-F94 HydrophobicContact CG-CZ 3.96Å; M80-F94 HydrophobicContact SD-CD2 4.36Å; M80-T131 HydrophobicContact CE-CG2 4.48Å; M80-L143 HydrophobicContact CB-CD2 4.04Å; M80-M158 HydrophobicContact CE-CE 3.92Å; M80-M158 HydrophobicContact SD-CE 3.95Å |
| 81 | L | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -46.4 | 178.2 | 177.9 | 64.4 | 0 | 0 | 0 | 111.6 | L70 L77 A78 V83 M84 Q85 E140 L143 L144 L147 | L70-L81 HydrophobicContact CD1-CD2 4.2Å; L77-L81 WeakPolarHBondContact O-CB 3.3Å; L77-L81 PolarHBondContact O-N 2.66Å; A78-L81 PolarHBondContact O-N 2.98Å; L81-V83 VanDerWaalsContact C-N 3.31Å; L81-V83 PolarHBondContact O-N 3.35Å; L81-M84 CarbonylContact O-C 3.5Å; L81-M84 PolarHBondContact O-N 3.18Å; L81-M84 VanDerWaalsContact O-N 3.14Å; L81-Q85 HydrophobicContact CD1-CG 4.21Å; L81-Q85 HydrophobicContact CG-CG 4.43Å; L81-Q85 WeakPolarHBondContact O-CG 3.43Å; L81-Q85 PolarHBondContact O-N 3.26Å; L81-E140 HydrophobicContact CD1-CG 4.01Å; L81-L143 HydrophobicContact CB-CD2 3.8Å; L81-L143 HydrophobicContact CB-CG 4.06Å; L81-L143 HydrophobicContact CD1-CD2 4.44Å; L81-L143 HydrophobicContact CD1-CG 4.35Å; L81-L144 HydrophobicContact CD1-CB 4.09Å; L81-L144 HydrophobicContact CD2-CB 4.44Å; L81-L144 HydrophobicContact CD2-CD1 3.8Å; L81-L147 HydrophobicContact CB-CD1 3.96Å; L81-L147 HydrophobicContact CD2-CD1 3.66Å; L81-L147 HydrophobicContact CG-CD1 4.43Å |
| 82 | S | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.4 | -38 | -175 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | D68 S69 A78 G79 M80 Q85 Q86 | D68-S82 VanDerWaalsContact CA-OG 3.25Å; D68-S82 WeakPolarHBondContact CA-OG 3.43Å; S69-S82 PolarHBondContact N-OG 2.95Å; S69-S82 PolarHBondContact OG-OG 2.88Å; A78-S82 VanDerWaalsContact O-CB 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.31Å; A78-S82 PolarHBondContact O-N 3.28Å; A78-S82 PolarHBondContact O-OG 3.4Å; G79-S82 PolarHBondContact O-N 3.15Å; M80-S82 VanDerWaalsContact C-N 3.34Å; M80-S82 PolarHBondContact O-N 2.87Å; S82-Q85 PolarHBondContact O-N 3.04Å; S82-Q86 WeakPolarHBondContact O-CB 3.37Å; S82-Q86 WeakPolarHBondContact O-CG 3.27Å; S82-Q86 PolarHBondContact O-N 3.14Å; S82-Q86 PolarHBondContact O-NE2 3.21Å; S82-Q86 VanDerWaalsContact O-NE2 3.1Å |
| 83 | V | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69 | -43.9 | 172.9 | 174.9 | 0 | 0 | 0 | 0 | 111 | V7 V48 N50 I66 G79 M80 L81 Q85 Q86 E87 F92 F94 | V7-V83 HydrophobicContact CG1-CB 4.37Å; V7-V83 HydrophobicContact CG1-CG1 4.08Å; V7-V83 HydrophobicContact CG1-CG2 3.85Å; V7-V83 HydrophobicContact CG2-CG1 3.71Å; V48-V83 HydrophobicContact CG2-CG1 4.14Å; N50-V83 HydrophobicContact CB-CG2 3.8Å; I66-V83 HydrophobicContact CB-CG2 4.14Å; I66-V83 HydrophobicContact CD1-CB 4.42Å; I66-V83 HydrophobicContact CD1-CG1 4.09Å; I66-V83 HydrophobicContact CD1-CG2 4.08Å; I66-V83 HydrophobicContact CG2-CG2 3.92Å; G79-V83 WeakPolarHBondContact O-CG2 3.26Å; G79-V83 PolarHBondContact O-N 3.48Å; M80-V83 PolarHBondContact O-N 3.23Å; L81-V83 VanDerWaalsContact C-N 3.31Å; L81-V83 PolarHBondContact O-N 3.35Å; V83-Q85 PolarHBondContact O-N 2.87Å; V83-Q86 PolarHBondContact O-N 3.45Å; V83-Q86 VanDerWaalsContact O-N 3.1Å; V83-E87 HydrophobicContact CG1-CB 4.43Å; V83-E87 HydrophobicContact CG1-CG 3.99Å; V83-E87 WeakPolarHBondContact O-CB 3.2Å; V83-E87 PolarHBondContact O-N 3.39Å; V83-F92 HydrophobicContact CG1-CD1 4.17Å; V83-F92 HydrophobicContact CG1-CE1 4.32Å; V83-F94 HydrophobicContact CB-CE1 4.13Å; V83-F94 HydrophobicContact CG1-CE1 4.28Å |
| 84 | M | 97.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.2 | -29.8 | 175.4 | -67.5 | 175.5 | 85 | 0 | 0 | 112.2 | M80 L81 F92 F94 V135 N136 R137 I139 E140 L143 | M80-M84 VanDerWaalsContact O-CG 3.24Å; M80-M84 WeakPolarHBondContact O-CG 3.11Å; M80-M84 PolarHBondContact O-N 2.61Å; L81-M84 CarbonylContact O-C 3.5Å; L81-M84 PolarHBondContact O-N 3.18Å; L81-M84 VanDerWaalsContact O-N 3.14Å; M84-F92 HydrophobicContact CE-CD2 4.47Å; M84-F92 HydrophobicContact CG-CD2 4Å; M84-F92 HydrophobicContact CG-CE2 4.17Å; M84-F92 HydrophobicContact CG-CG 4.4Å; M84-F94 HydrophobicContact CG-CZ 4.17Å; M84-V135 HydrophobicContact CE-CG1 3.92Å; M84-V135 HydrophobicContact SD-CG1 4.07Å; M84-N136 WeakPolarHBondContact CE-O 3.44Å; M84-R137 PolarHBondContact O-NH2 2.86Å; M84-I139 HydrophobicContact CE-CG1 3.95Å; M84-E140 HydrophobicContact CB-CB 4.5Å; M84-E140 HydrophobicContact CB-CG 4.03Å; M84-E140 HydrophobicContact CE-CB 3.75Å; M84-E140 HydrophobicContact SD-CB 4.47Å; M84-L143 HydrophobicContact SD-CD2 4.14Å |
| 85 | Q | 96.7 | Very high | 95.9 | Very high | 79 Ų | 79 | 24.5 Ų | 24.5 | 37% | 0.369 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -79.7 | -25.4 | 176.5 | -73.1 | 175.5 | -25.8 | 0 | 0 | 113.9 | S69 L81 S82 V83 E140 | S69-Q85 PolarHBondContact OG-OE1 3.35Å; L81-Q85 HydrophobicContact CD1-CG 4.21Å; L81-Q85 HydrophobicContact CG-CG 4.43Å; L81-Q85 WeakPolarHBondContact O-CG 3.43Å; L81-Q85 PolarHBondContact O-N 3.26Å; S82-Q85 PolarHBondContact O-N 3.04Å; V83-Q85 PolarHBondContact O-N 2.87Å; Q85-E140 WeakPolarHBondContact CG-OE1 3.32Å |
| 86 | Q | 97.1 | Very high | 96.4 | Very high | 85 Ų | 85 | 23.8 Ų | 23.8 | 40% | 0.397 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -110.7 | -9.4 | -169.9 | -68.7 | 176.8 | 73.7 | 0 | 0 | 114.5 | K64 I66 E67 S82 V83 | K64-Q86 PolarHBondContact NZ-O 3.13Å; K64-Q86 VanDerWaalsContact NZ-O 3.1Å; I66-Q86 HydrophobicContact CD1-CB 4.5Å; I66-Q86 HydrophobicContact CG2-CB 4.09Å; I66-Q86 HydrophobicContact CG2-CG 4.41Å; I66-Q86 VanDerWaalsContact CG2-NE2 3.3Å; E67-Q86 PolarHBondContact O-NE2 3.2Å; S82-Q86 WeakPolarHBondContact O-CB 3.37Å; S82-Q86 WeakPolarHBondContact O-CG 3.27Å; S82-Q86 PolarHBondContact O-N 3.14Å; S82-Q86 PolarHBondContact O-NE2 3.21Å; S82-Q86 VanDerWaalsContact O-NE2 3.1Å; V83-Q86 PolarHBondContact O-N 3.45Å; V83-Q86 VanDerWaalsContact O-N 3.1Å |
| 87 | E | 97 | Very high | 96.5 | Very high | 23 Ų | 23 | 21.7 Ų | 21.7 | 11% | 0.107 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -104.5 | 156.4 | 172.3 | -78.5 | -60.6 | 119.6 | 0 | 0 | 112 | T5 H46 V48 K64 I66 V83 F92 R137 | T5-E87 HydrophobicContact CG2-CG 4.41Å; H46-E87 IonicContact CD2-OE2 2.86Å; H46-E87 IonicContact CE1-OE2 3.7Å; H46-E87 IonicContact NE2-OE2 3.59Å; H46-E87 PolarHBondContact NE2-OE2 2.9Å; V48-E87 HydrophobicContact CG1-CG 4.47Å; V48-E87 HydrophobicContact CG2-CG 4.35Å; K64-E87 VanDerWaalsContact CD-OE1 3.27Å; K64-E87 WeakPolarHBondContact CD-OE1 3.44Å; K64-E87 WeakPolarHBondContact CE-OE1 3.37Å; K64-E87 IonicContact NZ-OE1 3.55Å; K64-E87 PolarHBondContact NZ-OE1 2.8Å; I66-E87 HydrophobicContact CD1-CG 3.62Å; V83-E87 HydrophobicContact CG1-CB 4.43Å; V83-E87 HydrophobicContact CG1-CG 3.99Å; V83-E87 WeakPolarHBondContact O-CB 3.2Å; V83-E87 PolarHBondContact O-N 3.39Å; E87-F92 HydrophobicContact CB-CE1 3.7Å; E87-F92 HydrophobicContact CB-CZ 4.19Å; E87-F92 HydrophobicContact CG-CE1 4.47Å; E87-R137 VanDerWaalsContact O-CZ 3.27Å; E87-R137 PolarHBondContact O-NH1 2.99Å; E87-R137 PolarHBondContact O-NH2 2.81Å |
| 88 | A | 93.6 | Very high | 96.3 | Very high | 76 Ų | 76 | 22.3 Ų | 22.3 | 63% | 0.628 | 13% | 0.128 | S | C | * | . | trans | -91 | 168.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 89 | G | 94.2 | Very high | 96.3 | Very high | 30 Ų | 30 | 22.3 Ų | 22.3 | 31% | 0.309 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 102.7 | 169 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R137 | G89-R137 WeakPolarHBondContact O-CD 3.32Å; G89-R137 PolarHBondContact O-NE 2.9Å; G89-R137 PolarHBondContact O-NH1 3.28Å |
| 90 | E | 96.6 | Very high | 96.3 | Very high | 120 Ų | 120 | 22.7 Ų | 22.7 | 56% | 0.561 | 13% | 0.13 | S | C | * | . | S | Bend | trans | -100.9 | -24.4 | -169 | -67.9 | 177.4 | -157.8 | 0 | 0 | 113.5 | N136 R137 | E90-N136 CarbonylContact O-C 3.58Å; E90-N136 VanDerWaalsContact O-CA 3.3Å; E90-N136 WeakPolarHBondContact O-CA 3.44Å; E90-N136 PolarHBondContact O-ND2 3.23Å; E90-R137 PolarHBondContact O-N 3.16Å |
| 91 | W | 98.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 26.4 Ų | 26.4 | 5% | 0.045 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 138.8 | -173.7 | -70.7 | 94 | 0 | 0 | 0 | 112 | I4 T5 R114 L134 V135 N136 | I4-W91 WeakPolarHBondContact CA-O 3.23Å; I4-W91 HydrophobicContact CB-CB 4.35Å; I4-W91 HydrophobicContact CG1-CB 3.85Å; I4-W91 HydrophobicContact CG2-CB 4.49Å; T5-W91 PolarHBondContact N-O 3.33Å; W91-R114 VanDerWaalsContact CH2-NH1 3.32Å; W91-L134 HydrophobicContact CB-CD1 4.2Å; W91-L134 HydrophobicContact CD2-CD1 4.43Å; W91-L134 HydrophobicContact CE3-CD1 3.77Å; W91-L134 HydrophobicContact CE3-CD2 4.27Å; W91-L134 HydrophobicContact CE3-CG 3.69Å; W91-L134 HydrophobicContact CZ3-CD2 4.49Å; W91-L134 HydrophobicContact CZ3-CG 4.05Å; W91-V135 WeakPolarHBondContact CA-O 3.15Å; W91-N136 HydrophobicContact CD2-CB 4.33Å; W91-N136 HydrophobicContact CE3-CB 4Å; W91-N136 HydrophobicContact CH2-CB 3.48Å; W91-N136 VanDerWaalsContact CH2-CB 3.48Å; W91-N136 HydrophobicContact CZ2-CB 3.87Å; W91-N136 WeakPolarHBondContact CZ2-ND2 3.4Å; W91-N136 HydrophobicContact CZ3-CB 3.57Å; W91-N136 PolarHBondContact NE1-ND2 2.83Å |
| 92 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126.8 | -179.4 | -61.4 | -85.4 | 0 | 0 | 0 | 109.4 | T5 V7 V83 M84 E87 F94 L134 V135 R137 | T5-F92 HydrophobicContact CG2-CD1 4.2Å; T5-F92 HydrophobicContact CG2-CE1 4.23Å; T5-F92 CarbonylContact O-C 3.4Å; T5-F92 WeakPolarHBondContact O-CA 3.35Å; V7-F92 HydrophobicContact CG2-CD1 4.16Å; V83-F92 HydrophobicContact CG1-CD1 4.17Å; V83-F92 HydrophobicContact CG1-CE1 4.32Å; M84-F92 HydrophobicContact CE-CD2 4.47Å; M84-F92 HydrophobicContact CG-CD2 4Å; M84-F92 HydrophobicContact CG-CE2 4.17Å; M84-F92 HydrophobicContact CG-CG 4.4Å; E87-F92 HydrophobicContact CB-CE1 3.7Å; E87-F92 HydrophobicContact CB-CZ 4.19Å; E87-F92 HydrophobicContact CG-CE1 4.47Å; F92-F94 HydrophobicContact CB-CD2 4.05Å; F92-F94 HydrophobicContact CB-CE1 4.45Å; F92-F94 HydrophobicContact CB-CE2 3.39Å; F92-F94 HydrophobicContact CB-CZ 3.62Å; F92-F94 HydrophobicContact CD1-CZ 4.48Å; F92-F94 HydrophobicContact CG-CE2 4.24Å; F92-F94 HydrophobicContact CG-CZ 4.09Å; F92-L134 CarbonylContact O-C 3.46Å; F92-L134 WeakPolarHBondContact O-CA 3.41Å; F92-V135 PolarHBondContact N-O 3.09Å; F92-V135 PolarHBondContact O-N 3.05Å; F92-R137 HydrophobicContact CE2-CB 4.48Å |
| 93 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 103.7 | 167.5 | 175.7 | 57.5 | 0 | 0 | 0 | 108.5 | I4 T5 V7 L40 L44 L106 A107 L110 A133 | I4-L93 HydrophobicContact CG2-CB 3.74Å; T5-L93 PolarHBondContact O-N 3.23Å; V7-L93 PolarHBondContact N-O 3.07Å; L40-L93 HydrophobicContact CD2-CD2 3.74Å; L40-L93 HydrophobicContact CD2-CG 4.14Å; L44-L93 HydrophobicContact CD1-CB 4.13Å; L44-L93 HydrophobicContact CD1-CD2 4.1Å; L93-L106 HydrophobicContact CD1-CD2 4.28Å; L93-L106 HydrophobicContact CD1-CG 4.36Å; L93-L106 HydrophobicContact CD2-CD2 4Å; L93-L106 HydrophobicContact CD2-CG 4.05Å; L93-A107 HydrophobicContact CD2-CB 3.83Å; L93-L110 HydrophobicContact CD1-CD1 3.56Å; L93-A133 WeakPolarHBondContact CA-O 3.26Å |
| 94 | F | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 139.5 | 175 | -62.9 | -79 | 0 | 0 | 0 | 110.4 | V7 L9 M80 V83 M84 F92 T131 I132 A133 V135 | V7-F94 HydrophobicContact CB-CD1 3.48Å; V7-F94 VanDerWaalsContact CB-CD1 3.48Å; V7-F94 HydrophobicContact CB-CE1 3.78Å; V7-F94 HydrophobicContact CB-CG 4.33Å; V7-F94 HydrophobicContact CG1-CD1 3.56Å; V7-F94 HydrophobicContact CG1-CE1 3.69Å; V7-F94 HydrophobicContact CG2-CD1 3.92Å; V7-F94 HydrophobicContact CG2-CE1 3.75Å; V7-F94 HydrophobicContact CG2-CZ 4.44Å; V7-F94 CarbonylContact O-C 3.17Å; V7-F94 WeakPolarHBondContact O-CA 3.47Å; L9-F94 HydrophobicContact CD1-CB 4.08Å; L9-F94 HydrophobicContact CD1-CD1 4.31Å; L9-F94 HydrophobicContact CD2-CD1 3.95Å; L9-F94 HydrophobicContact CD2-CE1 4.48Å; L9-F94 HydrophobicContact CG-CB 4.48Å; L9-F94 HydrophobicContact CG-CD1 4.17Å; M80-F94 HydrophobicContact CB-CD1 4.49Å; M80-F94 HydrophobicContact CB-CE1 4.06Å; M80-F94 HydrophobicContact CB-CE2 4.15Å; M80-F94 HydrophobicContact CB-CZ 3.87Å; M80-F94 HydrophobicContact CE-CB 3.98Å; M80-F94 HydrophobicContact CE-CD2 4.29Å; M80-F94 HydrophobicContact CE-CG 4.14Å; M80-F94 HydrophobicContact CG-CD1 3.82Å; M80-F94 HydrophobicContact CG-CD2 3.93Å; M80-F94 HydrophobicContact CG-CE1 3.89Å; M80-F94 HydrophobicContact CG-CE2 3.97Å; M80-F94 HydrophobicContact CG-CG 3.85Å; M80-F94 HydrophobicContact CG-CZ 3.96Å; M80-F94 HydrophobicContact SD-CD2 4.36Å; V83-F94 HydrophobicContact CB-CE1 4.13Å; V83-F94 HydrophobicContact CG1-CE1 4.28Å; M84-F94 HydrophobicContact CG-CZ 4.17Å; F92-F94 HydrophobicContact CB-CD2 4.05Å; F92-F94 HydrophobicContact CB-CE1 4.45Å; F92-F94 HydrophobicContact CB-CE2 3.39Å; F92-F94 HydrophobicContact CB-CZ 3.62Å; F92-F94 HydrophobicContact CD1-CZ 4.48Å; F92-F94 HydrophobicContact CG-CE2 4.24Å; F92-F94 HydrophobicContact CG-CZ 4.09Å; F94-T131 CarbonylContact C-O 3.56Å; F94-T131 VanDerWaalsContact O-O 3.11Å; F94-I132 CarbonylContact O-C 3.56Å; F94-I132 VanDerWaalsContact O-CA 3.24Å; F94-I132 WeakPolarHBondContact O-CA 3.39Å; F94-A133 PolarHBondContact N-O 2.84Å; F94-A133 PolarHBondContact O-N 3.2Å; F94-V135 HydrophobicContact CD2-CB 4.17Å; F94-V135 HydrophobicContact CD2-CG2 3.87Å; F94-V135 HydrophobicContact CE2-CB 3.89Å; F94-V135 HydrophobicContact CE2-CG1 4.31Å; F94-V135 HydrophobicContact CE2-CG2 4.01Å |
| 95 | C | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 137.5 | 169.6 | -70.5 | 0 | 0 | 0 | 0 | 109.1 | V7 V8 L9 V36 L40 I102 | V7-C95 PolarHBondContact O-N 3.15Å; V8-C95 CarbonylContact C-O 3.42Å; V8-C95 WeakPolarHBondContact CA-O 3.31Å; L9-C95 PolarHBondContact N-O 3.45Å; V36-C95 HydrophobicContact CG1-CB 3.65Å; L40-C95 HydrophobicContact CD1-CB 4.49Å; C95-I102 HydrophobicContact CB-CD1 4.39Å |
| 96 | P | 95.7 | Very high | 96.5 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 10% | 0.097 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 151.3 | 172.3 | 34.5 | -34.7 | 0 | 0 | 0 | 110.2 | D98 T99 I132 | P96-D98 VanDerWaalsContact CB-OD1 3.26Å; P96-D98 WeakPolarHBondContact CB-OD1 3.24Å; P96-D98 VanDerWaalsContact CG-OD1 3.27Å; P96-D98 WeakPolarHBondContact CG-OD1 3.41Å; P96-D98 PolarHBondContact O-N 3.22Å; P96-T99 HydrophobicContact CG-CG2 3.95Å; P96-T99 PolarHBondContact O-OG1 2.75Å; P96-I132 HydrophobicContact CG-CG1 4.24Å |
| 97 | C | 94.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -7.1 | -179.6 | 59.9 | 0 | 0 | 0 | 0 | 115 | V8 L9 A10 L32 W33 | V8-C97 HydrophobicContact CG1-CB 3.87Å; L9-C97 PolarHBondContact O-N 3.38Å; L9-C97 PolarHBondContact O-SG 3.27Å; A10-C97 HydrophobicContact CB-CB 4.13Å; L32-C97 CarbonylContact C-O 3.55Å; L32-C97 VanDerWaalsContact C-O 3.28Å; L32-C97 WeakPolarHBondContact CB-O 3.36Å; W33-C97 HydrophobicContact CB-CB 3.77Å; W33-C97 PolarHBondContact N-O 3.14Å |
| 98 | D | 91.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 9% | 0.086 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 7.6 | -170.3 | 65.9 | -8.1 | 0 | 0 | 0 | 114.5 | K22 P96 P100 N177 V178 | K22-D98 HydrophobicContact CD-CB 4.08Å; K22-D98 VanDerWaalsContact CE-CB 3.43Å; K22-D98 IonicContact NZ-OD2 3.8Å; K22-D98 PolarHBondContact NZ-OD2 2.9Å; P96-D98 VanDerWaalsContact CB-OD1 3.26Å; P96-D98 WeakPolarHBondContact CB-OD1 3.24Å; P96-D98 VanDerWaalsContact CG-OD1 3.27Å; P96-D98 WeakPolarHBondContact CG-OD1 3.41Å; P96-D98 PolarHBondContact O-N 3.22Å; D98-P100 VanDerWaalsContact C-CD 3.41Å; D98-P100 WeakPolarHBondContact O-CD 3.38Å; D98-N177 CarbonylContact O-C 3.53Å; D98-N177 VanDerWaalsContact O-CA 3.3Å; D98-N177 WeakPolarHBondContact O-CA 3.34Å; D98-N177 PolarHBondContact OD1-ND2 2.82Å; D98-N177 VanDerWaalsContact OD1-ND2 3.15Å; D98-N177 PolarHBondContact OD2-ND2 2.92Å; D98-V178 PolarHBondContact O-N 2.84Å |
| 99 | T | 94 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -112.4 | 73.4 | 177 | 52.2 | 0 | 0 | 0 | 0 | 110.3 | V36 P96 Y101 I132 N177 | V36-T99 WeakPolarHBondContact CG2-O 3.24Å; P96-T99 HydrophobicContact CG-CG2 3.95Å; P96-T99 PolarHBondContact O-OG1 2.75Å; T99-Y101 PolarHBondContact O-N 3.36Å; T99-Y101 VanDerWaalsContact O-N 3.14Å; T99-I132 HydrophobicContact CG2-CD1 4.16Å; T99-N177 HydrophobicContact CG2-CB 4.43Å | ||
| 100 | P | 94.7 | Very high | 97 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 5% | 0.052 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -11.2 | -168.3 | 29 | -36.8 | 0 | 0 | 0 | 114.5 | L27 L32 H35 D98 V178 | L27-P100 HydrophobicContact CD2-CB 3.85Å; L27-P100 HydrophobicContact CD2-CG 3.71Å; L32-P100 HydrophobicContact CD2-CB 4.18Å; L32-P100 HydrophobicContact CD2-CG 3.98Å; H35-P100 HydrophobicContact CB-CB 3.6Å; D98-P100 VanDerWaalsContact C-CD 3.41Å; D98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-V178 HydrophobicContact CG-CG2 4.03Å |
| 101 | Y | 96.1 | Very high | 97 | Very high | 79 Ų | 79 | 23.1 Ų | 23.1 | 31% | 0.31 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 19.6 | -171.8 | -55.5 | -59.8 | 0 | 0 | 0 | 114.1 | L27 T99 A174 V176 W187 | L27-Y101 HydrophobicContact CD2-CE1 4.27Å; T99-Y101 PolarHBondContact O-N 3.36Å; T99-Y101 VanDerWaalsContact O-N 3.14Å; Y101-A174 CarbonylContact C-O 3.37Å; Y101-A174 WeakPolarHBondContact O-CA 3.36Å; Y101-A174 VanDerWaalsContact O-CB 3.32Å; Y101-A174 WeakPolarHBondContact O-CB 3.38Å; Y101-V176 HydrophobicContact CD2-CG2 3.58Å; Y101-V176 HydrophobicContact CE2-CG2 4.07Å; Y101-W187 AromaticContact CE2-CD2 3.99Å; Y101-W187 HydrophobicContact CE2-CD2 3.99Å; Y101-W187 AromaticContact CE2-CE3 3.59Å; Y101-W187 HydrophobicContact CE2-CE3 3.59Å; Y101-W187 HydrophobicContact CE2-CG 4.46Å; Y101-W187 HydrophobicContact CE2-CZ3 4.01Å |
| 102 | I | 97.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 29.6 Ų | 29.6 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | trans | -52.9 | 139.1 | 178.1 | 54.4 | 169.1 | 0 | 0 | 0 | 111.3 | V36 A39 L40 C95 L106 I132 A174 F175 | V36-I102 HydrophobicContact CG1-CD1 3.9Å; A39-I102 HydrophobicContact CB-CD1 3.97Å; A39-I102 HydrophobicContact CB-CG1 3.57Å; L40-I102 HydrophobicContact CD2-CD1 3.81Å; L40-I102 HydrophobicContact CG-CD1 3.91Å; C95-I102 HydrophobicContact CB-CD1 4.39Å; I102-L106 HydrophobicContact CB-CD2 4.07Å; I102-L106 HydrophobicContact CD1-CD2 4.11Å; I102-L106 HydrophobicContact CG2-CD2 4.26Å; I102-I132 HydrophobicContact CG2-CD1 4.49Å; I102-A174 PolarHBondContact N-O 2.67Å; I102-F175 HydrophobicContact CG2-CD1 4.45Å; I102-F175 HydrophobicContact CG2-CE1 4.42Å | ||
| 103 | P | 97.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 5% | 0.045 | 18% | 0.179 | C | C | . | . | trans | -79.3 | 157.1 | -170.1 | 33.8 | -35.7 | 0 | 0 | 0 | 111.8 | Q43 D105 L106 F168 A174 F175 | Q43-P103 PolarHBondContact NE2-O 3Å; P103-D105 VanDerWaalsContact CB-OD1 3.31Å; P103-D105 WeakPolarHBondContact CB-OD1 3.47Å; P103-D105 WeakPolarHBondContact CG-OD1 3.44Å; P103-D105 PolarHBondContact O-N 2.96Å; P103-L106 HydrophobicContact CG-CB 4.22Å; P103-L106 VanDerWaalsContact O-CB 3.3Å; P103-L106 WeakPolarHBondContact O-CB 3.33Å; P103-L106 PolarHBondContact O-N 3.27Å; P103-F168 HydrophobicContact CG-CD1 4.43Å; P103-F168 HydrophobicContact CG-CE1 4.22Å; P103-A174 HydrophobicContact CB-CB 4.42Å; P103-A174 HydrophobicContact CG-CB 4.35Å; P103-F175 HydrophobicContact CG-CZ 3.87Å | ||
| 104 | P | 97.3 | Very high | 96.8 | Very high | 99 Ų | 99 | 35.2 Ų | 35.2 | 64% | 0.643 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -14.4 | -179.2 | 29.7 | -36.1 | 0 | 0 | 0 | 113.5 | ||
| 105 | D | 97.6 | Very high | 96.4 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 2.3 | 176.7 | 76.9 | -34.1 | 0 | 0 | 0 | 113.3 | P103 A107 A108 R109 | P103-D105 VanDerWaalsContact CB-OD1 3.31Å; P103-D105 WeakPolarHBondContact CB-OD1 3.47Å; P103-D105 WeakPolarHBondContact CG-OD1 3.44Å; P103-D105 PolarHBondContact O-N 2.96Å; D105-A107 PolarHBondContact O-N 3.42Å; D105-A108 PolarHBondContact O-N 3.42Å; D105-A108 VanDerWaalsContact O-N 3.15Å; D105-R109 WeakPolarHBondContact O-CB 3.35Å; D105-R109 PolarHBondContact O-N 3.01Å |
| 106 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -51 | -54.6 | -174.1 | 175.9 | 61.6 | 0 | 0 | 0 | 112.5 | L93 I102 P103 L110 V122 I132 F168 F175 | L93-L106 HydrophobicContact CD1-CD2 4.28Å; L93-L106 HydrophobicContact CD1-CG 4.36Å; L93-L106 HydrophobicContact CD2-CD2 4Å; L93-L106 HydrophobicContact CD2-CG 4.05Å; I102-L106 HydrophobicContact CB-CD2 4.07Å; I102-L106 HydrophobicContact CD1-CD2 4.11Å; I102-L106 HydrophobicContact CG2-CD2 4.26Å; P103-L106 HydrophobicContact CG-CB 4.22Å; P103-L106 VanDerWaalsContact O-CB 3.3Å; P103-L106 WeakPolarHBondContact O-CB 3.33Å; P103-L106 PolarHBondContact O-N 3.27Å; L106-L110 HydrophobicContact CD1-CD1 3.64Å; L106-L110 HydrophobicContact CD1-CG 4.11Å; L106-L110 HydrophobicContact CG-CD1 4.07Å; L106-L110 WeakPolarHBondContact O-CB 3.31Å; L106-L110 WeakPolarHBondContact O-CG 3.16Å; L106-L110 PolarHBondContact O-N 3.1Å; L106-V122 HydrophobicContact CD1-CG2 3.62Å; L106-I132 HydrophobicContact CD1-CG2 3.99Å; L106-I132 HydrophobicContact CD2-CG2 3.92Å; L106-F168 HydrophobicContact CD1-CE1 4.12Å; L106-F168 HydrophobicContact CD1-CE2 4.38Å; L106-F168 HydrophobicContact CD1-CZ 3.76Å; L106-F175 HydrophobicContact CD1-CE1 4.15Å; L106-F175 HydrophobicContact CD1-CZ 4.38Å |
| 107 | A | 98.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 50.3 Ų | 50.3 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I4 Q43 L44 L93 D105 N111 | I4-A107 HydrophobicContact CD1-CB 4.48Å; Q43-A107 VanDerWaalsContact OE1-CB 3.26Å; L44-A107 HydrophobicContact CD2-CB 4.11Å; L93-A107 HydrophobicContact CD2-CB 3.83Å; D105-A107 PolarHBondContact O-N 3.42Å; A107-N111 VanDerWaalsContact O-CB 3.23Å; A107-N111 WeakPolarHBondContact O-CB 3.32Å; A107-N111 PolarHBondContact O-N 2.93Å |
| 108 | A | 97.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 51.8 Ų | 51.8 | 55% | 0.545 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D105 N111 H112 | D105-A108 PolarHBondContact O-N 3.42Å; D105-A108 VanDerWaalsContact O-N 3.15Å; A108-N111 PolarHBondContact O-N 3.2Å; A108-H112 WeakPolarHBondContact O-CB 3.37Å; A108-H112 PolarHBondContact O-N 3.42Å |
| 109 | R | 97.9 | Very high | 96.9 | Very high | 52 Ų | 52 | 51 Ų | 51 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.3 | -43.2 | -179 | 179.7 | 163.5 | 175.5 | 164.7 | 1.1 | 112.3 | D105 N111 H112 Q113 V166 D167 F168 D170 | D105-R109 WeakPolarHBondContact O-CB 3.35Å; D105-R109 PolarHBondContact O-N 3.01Å; R109-N111 PolarHBondContact O-N 2.81Å; R109-H112 PolarHBondContact O-N 2.95Å; R109-Q113 HydrophobicContact CG-CG 4.35Å; R109-Q113 WeakPolarHBondContact O-CB 3.39Å; R109-Q113 VanDerWaalsContact O-CG 3.27Å; R109-Q113 WeakPolarHBondContact O-CG 3.43Å; R109-Q113 PolarHBondContact O-N 2.6Å; R109-V166 HydrophobicContact CG-CG1 4.28Å; R109-D167 VanDerWaalsContact CZ-O 3.22Å; R109-D167 PolarHBondContact NE-O 2.86Å; R109-D167 PolarHBondContact NH2-O 3.38Å; R109-F168 HydrophobicContact CB-CE1 4.04Å; R109-F168 HydrophobicContact CB-CE2 4.44Å; R109-F168 HydrophobicContact CB-CZ 3.64Å; R109-F168 VanDerWaalsContact CD-CE1 3.46Å; R109-F168 HydrophobicContact CG-CE1 3.95Å; R109-F168 HydrophobicContact CG-CE2 3.92Å; R109-F168 HydrophobicContact CG-CZ 3.52Å; R109-D170 IonicContact CZ-OD1 3.73Å; R109-D170 IonicContact CZ-OD2 3.22Å; R109-D170 VanDerWaalsContact NH1-CG 3.28Å; R109-D170 IonicContact NH1-OD1 2.66Å; R109-D170 PolarHBondContact NH1-OD1 2.81Å; R109-D170 IonicContact NH1-OD2 2.92Å; R109-D170 PolarHBondContact NH1-OD2 3.49Å; R109-D170 IonicContact NH2-OD1 2.6Å; R109-D170 PolarHBondContact NH2-OD1 2.79Å; R109-D170 IonicContact NH2-OD2 2.77Å |
| 110 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -48 | 172.6 | -74.1 | 173 | 0 | 0 | 0 | 110.8 | L93 L106 H112 Q113 R114 V120 V122 L134 V166 F168 | L93-L110 HydrophobicContact CD1-CD1 3.56Å; L106-L110 HydrophobicContact CD1-CD1 3.64Å; L106-L110 HydrophobicContact CD1-CG 4.11Å; L106-L110 HydrophobicContact CG-CD1 4.07Å; L106-L110 WeakPolarHBondContact O-CB 3.31Å; L106-L110 WeakPolarHBondContact O-CG 3.16Å; L106-L110 PolarHBondContact O-N 3.1Å; L110-H112 PolarHBondContact O-N 2.75Å; L110-Q113 PolarHBondContact O-N 3.32Å; L110-R114 VanDerWaalsContact O-CB 3.3Å; L110-R114 WeakPolarHBondContact O-CB 3.3Å; L110-R114 PolarHBondContact O-N 3.48Å; L110-V120 HydrophobicContact CB-CG2 4.12Å; L110-V120 HydrophobicContact CD2-CB 4.4Å; L110-V120 HydrophobicContact CD2-CG2 3.99Å; L110-V122 HydrophobicContact CD1-CG2 4.49Å; L110-V122 HydrophobicContact CD2-CG2 4.25Å; L110-L134 HydrophobicContact CB-CB 4.01Å; L110-L134 HydrophobicContact CB-CD2 4.11Å; L110-L134 HydrophobicContact CD1-CB 4.13Å; L110-V166 HydrophobicContact CD2-CB 3.83Å; L110-V166 HydrophobicContact CD2-CG1 4.31Å; L110-V166 HydrophobicContact CD2-CG2 3.94Å; L110-F168 HydrophobicContact CD2-CE2 3.92Å; L110-F168 HydrophobicContact CG-CE2 4.09Å; L110-F168 HydrophobicContact CG-CZ 4.2Å |
| 111 | N | 97.4 | Very high | 97.3 | Very high | 53 Ų | 53 | 51.1 Ų | 51.1 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 179.8 | -178.1 | 67.8 | 0 | 0 | 0 | 112.6 | A107 A108 R109 L134 | A107-N111 VanDerWaalsContact O-CB 3.23Å; A107-N111 WeakPolarHBondContact O-CB 3.32Å; A107-N111 PolarHBondContact O-N 2.93Å; A108-N111 PolarHBondContact O-N 3.2Å; R109-N111 PolarHBondContact O-N 2.81Å; N111-L134 HydrophobicContact CB-CD2 3.95Å |
| 112 | H | 96.7 | Very high | 97.5 | Very high | 148 Ų | 148 | 47.4 Ų | 47.4 | 69% | 0.685 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 176 | -178.9 | -83.2 | 0 | 0 | 0 | 112 | A108 R109 L110 R114 | A108-H112 WeakPolarHBondContact O-CB 3.37Å; A108-H112 PolarHBondContact O-N 3.42Å; R109-H112 PolarHBondContact O-N 2.95Å; L110-H112 PolarHBondContact O-N 2.75Å; H112-R114 VanDerWaalsContact C-N 3.3Å; H112-R114 PolarHBondContact O-N 3.03Å |
| 113 | Q | 97.9 | Very high | 97.5 | Very high | 78 Ų | 78 | 49.5 Ų | 49.5 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -84.2 | -6 | -174.2 | -62.3 | -71.5 | 67 | 0 | 0 | 113.8 | R109 L110 K115 H164 V166 | R109-Q113 HydrophobicContact CG-CG 4.35Å; R109-Q113 WeakPolarHBondContact O-CB 3.39Å; R109-Q113 VanDerWaalsContact O-CG 3.27Å; R109-Q113 WeakPolarHBondContact O-CG 3.43Å; R109-Q113 PolarHBondContact O-N 2.6Å; L110-Q113 PolarHBondContact O-N 3.32Å; Q113-K115 VanDerWaalsContact C-N 3.3Å; Q113-K115 PolarHBondContact O-N 3.42Å; Q113-H164 PolarHBondContact O-NE2 3.47Å; Q113-V166 HydrophobicContact CB-CB 4.23Å; Q113-V166 HydrophobicContact CB-CG1 3.55Å; Q113-V166 HydrophobicContact CB-CG2 3.61Å; Q113-V166 HydrophobicContact CG-CG1 3.73Å |
| 114 | R | 96.6 | Very high | 97.5 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 16% | 0.155 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -31.5 | 177.6 | -173.8 | 175.5 | 65.9 | 67.2 | 5.7 | 113.7 | W91 L110 H112 D116 A117 V120 H164 | W91-R114 VanDerWaalsContact CH2-NH1 3.32Å; L110-R114 VanDerWaalsContact O-CB 3.3Å; L110-R114 WeakPolarHBondContact O-CB 3.3Å; L110-R114 PolarHBondContact O-N 3.48Å; H112-R114 VanDerWaalsContact C-N 3.3Å; H112-R114 PolarHBondContact O-N 3.03Å; R114-D116 PolarHBondContact O-N 3.05Å; R114-A117 WeakPolarHBondContact CD-O 3Å; R114-A117 HydrophobicContact CG-CB 4.26Å; R114-A117 WeakPolarHBondContact CG-O 2.75Å; R114-A117 PolarHBondContact NH1-O 3.1Å; R114-A117 WeakPolarHBondContact O-CB 3.31Å; R114-A117 PolarHBondContact O-N 2.9Å; R114-V120 HydrophobicContact CB-CG1 4.12Å; R114-V120 HydrophobicContact CB-CG2 3.94Å; R114-V120 HydrophobicContact CG-CG1 4.05Å; R114-V120 HydrophobicContact CG-CG2 4.06Å; R114-H164 PolarHBondContact O-CE1 2.8Å; R114-H164 VanDerWaalsContact O-CE1 3.31Å |
| 115 | K | 91.8 | Very high | 97.5 | Very high | 159 Ų | 159 | 46.9 Ų | 46.9 | 69% | 0.691 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | -122.8 | -168.7 | -54.2 | 173.6 | -178.4 | 174.3 | 0 | 108.8 | Q113 | Q113-K115 VanDerWaalsContact C-N 3.3Å; Q113-K115 PolarHBondContact O-N 3.42Å |
| 116 | D | 95.2 | Very high | 97.4 | Very high | 161 Ų | 161 | 50.9 Ų | 50.9 | 86% | 0.861 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 2 | 177.9 | -59.7 | -51.7 | 0 | 0 | 0 | 114.3 | R114 | R114-D116 PolarHBondContact O-N 3.05Š|
| 117 | A | 98.2 | Very high | 97.3 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 10% | 0.099 | 29% | 0.289 | C | S | . | . | trans | -65.1 | 142.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R114 V119 V120 H164 | R114-A117 WeakPolarHBondContact CD-O 3Å; R114-A117 HydrophobicContact CG-CB 4.26Å; R114-A117 WeakPolarHBondContact CG-O 2.75Å; R114-A117 PolarHBondContact NH1-O 3.1Å; R114-A117 WeakPolarHBondContact O-CB 3.31Å; R114-A117 PolarHBondContact O-N 2.9Å; A117-V119 VanDerWaalsContact C-N 3.27Å; A117-V120 HydrophobicContact CB-CG1 4.33Å; A117-H164 VanDerWaalsContact CB-CE1 3.49Å; A117-H164 WeakPolarHBondContact CB-CE1 3.34Å | ||
| 118 | P | 98 | Very high | 97.3 | Very high | 40 Ų | 40 | 59.1 Ų | 59.1 | 26% | 0.26 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -79 | -15.6 | 176.2 | 33.8 | -36.8 | 0 | 0 | 0 | 112.1 | N136 I139 A161 | P118-N136 HydrophobicContact CB-CB 4.28Å; P118-N136 WeakPolarHBondContact O-CB 3.31Å; P118-N136 PolarHBondContact O-N 3.1Å; P118-I139 HydrophobicContact CB-CG2 3.73Å; P118-I139 HydrophobicContact CG-CG2 4.14Å; P118-A161 WeakPolarHBondContact CG-O 3.4Å |
| 119 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 135.9 | 179.2 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | A117 W121 L134 V135 I139 M158 A161 G163 H164 | A117-V119 VanDerWaalsContact C-N 3.27Å; V119-W121 HydrophobicContact CG1-CE3 4.39Å; V119-L134 WeakPolarHBondContact CA-O 3.42Å; V119-V135 HydrophobicContact CG1-CG2 4.11Å; V119-I139 HydrophobicContact CG2-CD1 3.55Å; V119-I139 HydrophobicContact CG2-CG1 4.47Å; V119-I139 HydrophobicContact CG2-CG2 3.85Å; V119-M158 HydrophobicContact CG1-SD 3.78Å; V119-A161 HydrophobicContact CG2-CB 4.08Å; V119-G163 WeakPolarHBondContact O-CA 3.5Å; V119-H164 PolarHBondContact O-N 2.69Å |
| 120 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.2 | 162.7 | -75.7 | 0 | 0 | 0 | 0 | 110.7 | L110 R114 A117 A133 L134 H164 V166 | L110-V120 HydrophobicContact CB-CG2 4.12Å; L110-V120 HydrophobicContact CD2-CB 4.4Å; L110-V120 HydrophobicContact CD2-CG2 3.99Å; R114-V120 HydrophobicContact CB-CG1 4.12Å; R114-V120 HydrophobicContact CB-CG2 3.94Å; R114-V120 HydrophobicContact CG-CG1 4.05Å; R114-V120 HydrophobicContact CG-CG2 4.06Å; A117-V120 HydrophobicContact CB-CG1 4.33Å; V120-A133 CarbonylContact O-C 3.53Å; V120-A133 WeakPolarHBondContact O-CA 3.27Å; V120-L134 HydrophobicContact CG2-CB 3.94Å; V120-L134 HydrophobicContact CG2-CD2 4.41Å; V120-L134 PolarHBondContact N-O 3.26Å; V120-L134 PolarHBondContact O-N 3.31Å; V120-H164 VanDerWaalsContact CA-O 3.28Å; V120-H164 WeakPolarHBondContact CA-O 3.34Å; V120-H164 WeakPolarHBondContact CG1-NE2 3.45Å; V120-H164 WeakPolarHBondContact CG1-O 3.42Å; V120-V166 HydrophobicContact CB-CG2 3.76Å; V120-V166 HydrophobicContact CG1-CG2 3.95Å; V120-V166 HydrophobicContact CG2-CG2 4.23Å |
| 121 | W | 98.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 56.1 Ų | 56.1 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 164.7 | 178.2 | 65.2 | 89.2 | 0 | 0 | 0 | 111.8 | V119 D128 I132 A133 M155 M158 G163 H164 A165 V166 | V119-W121 HydrophobicContact CG1-CE3 4.39Å; W121-D128 PolarHBondContact NE1-OD1 3.14Å; W121-I132 VanDerWaalsContact CA-O 3.26Å; W121-I132 WeakPolarHBondContact CA-O 3.3Å; W121-I132 WeakPolarHBondContact CB-O 3.47Å; W121-A133 HydrophobicContact CB-CB 4.05Å; W121-M155 HydrophobicContact CZ2-CE 3.71Å; W121-M158 HydrophobicContact CE3-CB 3.8Å; W121-M158 HydrophobicContact CE3-CG 4.24Å; W121-M158 HydrophobicContact CH2-CB 4.18Å; W121-M158 HydrophobicContact CZ3-CB 3.58Å; W121-G163 WeakPolarHBondContact CH2-O 3.44Å; W121-H164 VanDerWaalsContact CH2-CA 3.48Å; W121-H164 VanDerWaalsContact CZ3-N 3.28Å; W121-H164 PolarHBondContact N-O 2.95Å; W121-A165 HydrophobicContact CZ2-CB 4.11Å; W121-A165 CarbonylContact O-C 3.57Å; W121-A165 WeakPolarHBondContact O-CA 3.44Å; W121-V166 PolarHBondContact O-N 2.79Å |
| 122 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 137.8 | 179.7 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | L106 L110 H129 I132 F168 F175 | L106-V122 HydrophobicContact CD1-CG2 3.62Å; L110-V122 HydrophobicContact CD1-CG2 4.49Å; L110-V122 HydrophobicContact CD2-CG2 4.25Å; V122-H129 HydrophobicContact CB-CB 4.13Å; V122-H129 HydrophobicContact CG1-CB 4.37Å; V122-H129 PolarHBondContact O-N 2.88Å; V122-I132 HydrophobicContact CB-CB 4.19Å; V122-I132 HydrophobicContact CB-CG2 4.19Å; V122-I132 HydrophobicContact CG2-CB 4.05Å; V122-I132 HydrophobicContact CG2-CG2 3.51Å; V122-I132 PolarHBondContact N-O 2.95Å; V122-F168 HydrophobicContact CB-CD2 4.37Å; V122-F168 HydrophobicContact CG1-CB 4.11Å; V122-F168 HydrophobicContact CG1-CD2 4.09Å; V122-F168 HydrophobicContact CG1-CG 4.26Å; V122-F168 HydrophobicContact CG2-CD2 3.92Å; V122-F168 HydrophobicContact CG2-CE2 3.87Å; V122-F168 HydrophobicContact CG2-CZ 4.44Å; V122-F175 HydrophobicContact CB-CE1 4.28Å; V122-F175 HydrophobicContact CG1-CD1 3.77Å; V122-F175 HydrophobicContact CG1-CD2 3.95Å; V122-F175 HydrophobicContact CG1-CE1 3.69Å; V122-F175 HydrophobicContact CG1-CE2 3.92Å; V122-F175 HydrophobicContact CG1-CG 3.88Å; V122-F175 HydrophobicContact CG1-CZ 3.75Å; V122-F175 HydrophobicContact CG2-CE1 3.84Å; V122-F175 HydrophobicContact CG2-CZ 4.13Å |
| 123 | H | 98.5 | Very high | 97.4 | Very high | 53 Ų | 53 | 46.6 Ų | 46.6 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.8 | 159.7 | -177.4 | -76.4 | 0 | 0 | 0 | 109.1 | G125 R127 D128 A165 V166 F168 | H123-G125 VanDerWaalsContact C-N 3.26Å; H123-G125 VanDerWaalsContact CE1-C 3.45Å; H123-G125 WeakPolarHBondContact ND1-CA 3.25Å; H123-G125 PolarHBondContact ND1-N 2.83Å; H123-G125 VanDerWaalsContact ND1-N 3.11Å; H123-G125 PolarHBondContact O-N 3.27Å; H123-R127 WeakPolarHBondContact CA-O 3.29Å; H123-D128 IonicContact CD2-OD1 2.72Å; H123-A165 HydrophobicContact CB-CB 3.91Å; H123-V166 PolarHBondContact N-O 2.7Å; H123-F168 PolarHBondContact O-N 3.42Å |
| 124 | D | 97.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | trans | -86.6 | 9 | -171 | 68.4 | 7.9 | 0 | 0 | 0 | 114.2 | E126 R127 H129 S169 F175 | D124-E126 VanDerWaalsContact C-N 3.34Å; D124-E126 WeakPolarHBondContact OD1-CA 3.39Å; D124-E126 WeakPolarHBondContact OD1-CB 3.21Å; D124-E126 PolarHBondContact OD1-N 2.79Å; D124-R127 PolarHBondContact N-O 2.81Å; D124-R127 VanDerWaalsContact N-O 3.12Å; D124-R127 PolarHBondContact OD1-N 2.98Å; D124-R127 WeakPolarHBondContact OD2-CG 2.84Å; D124-R127 IonicContact OD2-NE 3.55Å; D124-H129 IonicContact OD2-CD2 2.8Å; D124-H129 IonicContact OD2-CE1 3.65Å; D124-H129 IonicContact OD2-NE2 3.54Å; D124-H129 PolarHBondContact OD2-NE2 3.06Å; D124-S169 WeakPolarHBondContact O-CA 3.34Å; D124-F175 HydrophobicContact CB-CB 4.18Å; D124-F175 HydrophobicContact CB-CD2 4.11Å; D124-F175 HydrophobicContact CB-CG 4.47Å | ||
| 125 | G | 97.3 | Very high | 97.5 | Very high | 46 Ų | 46 | 41 Ų | 41 | 47% | 0.474 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 92.9 | -17.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | H123 | H123-G125 VanDerWaalsContact C-N 3.26Å; H123-G125 VanDerWaalsContact CE1-C 3.45Å; H123-G125 WeakPolarHBondContact ND1-CA 3.25Å; H123-G125 PolarHBondContact ND1-N 2.83Å; H123-G125 VanDerWaalsContact ND1-N 3.11Å; H123-G125 PolarHBondContact O-N 3.27Å |
| 126 | E | 96.4 | Very high | 97.8 | Very high | 135 Ų | 135 | 34.7 Ų | 34.7 | 63% | 0.631 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -115 | -38.4 | 176 | -171.4 | -178 | 158.2 | 0 | 0 | 112.1 | D124 K172 | D124-E126 VanDerWaalsContact C-N 3.34Å; D124-E126 WeakPolarHBondContact OD1-CA 3.39Å; D124-E126 WeakPolarHBondContact OD1-CB 3.21Å; D124-E126 PolarHBondContact OD1-N 2.79Å; E126-K172 WeakPolarHBondContact OE2-CE 3.37Å; E126-K172 IonicContact OE2-NZ 3.6Å; E126-K172 PolarHBondContact OE2-NZ 2.88Å |
| 127 | R | 96.2 | Very high | 98 | Very high | 116 Ų | 116 | 30.1 Ų | 30.1 | 44% | 0.438 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -150 | 159.8 | -174.7 | 62.2 | -176.7 | -178.7 | 176.6 | 7.9 | 113.4 | H123 D124 N177 | H123-R127 WeakPolarHBondContact CA-O 3.29Å; D124-R127 PolarHBondContact N-O 2.81Å; D124-R127 VanDerWaalsContact N-O 3.12Å; D124-R127 PolarHBondContact OD1-N 2.98Å; D124-R127 WeakPolarHBondContact OD2-CG 2.84Å; D124-R127 IonicContact OD2-NE 3.55Å; R127-N177 PolarHBondContact NH2-OD1 2.88Å |
| 128 | D | 97.9 | Very high | 97.9 | Very high | 65 Ų | 65 | 33 Ų | 33 | 35% | 0.348 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 139.1 | 169.8 | -68 | -66.4 | 0 | 0 | 0 | 112 | W121 H123 P130 M155 | W121-D128 PolarHBondContact NE1-OD1 3.14Å; H123-D128 IonicContact CD2-OD1 2.72Å; D128-P130 VanDerWaalsContact C-CD 3.44Å; D128-P130 VanDerWaalsContact O-CD 3.31Å; D128-P130 WeakPolarHBondContact O-CD 3.35Å; D128-M155 HydrophobicContact CB-CE 4.08Å; D128-M155 HydrophobicContact CB-SD 3.92Å |
| 129 | H | 97.6 | Very high | 97.9 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 71.9 | 169.2 | -68.8 | -92.9 | 0 | 0 | 0 | 110.2 | V122 D124 T131 I132 F175 | V122-H129 HydrophobicContact CB-CB 4.13Å; V122-H129 HydrophobicContact CG1-CB 4.37Å; V122-H129 PolarHBondContact O-N 2.88Å; D124-H129 IonicContact OD2-CD2 2.8Å; D124-H129 IonicContact OD2-CE1 3.65Å; D124-H129 IonicContact OD2-NE2 3.54Å; D124-H129 PolarHBondContact OD2-NE2 3.06Å; H129-T131 PolarHBondContact O-N 3.26Å; H129-I132 HydrophobicContact CB-CB 4.18Å; H129-I132 HydrophobicContact CB-CD1 3.93Å; H129-I132 HydrophobicContact CB-CG1 4.07Å; H129-I132 PolarHBondContact O-N 3.34Å; H129-F175 PolarHBondContact CE1-O 3.02Å |
| 130 | P | 97.5 | Very high | 97.9 | Very high | 21 Ų | 21 | 33.7 Ų | 33.7 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | -11.8 | -172.3 | 28.5 | -37.2 | 0 | 0 | 0 | 114.8 | D128 V154 M155 M158 | D128-P130 VanDerWaalsContact C-CD 3.44Å; D128-P130 VanDerWaalsContact O-CD 3.31Å; D128-P130 WeakPolarHBondContact O-CD 3.35Å; P130-V154 HydrophobicContact CB-CG1 3.76Å; P130-V154 HydrophobicContact CG-CB 4.42Å; P130-V154 HydrophobicContact CG-CG1 3.96Å; P130-M155 HydrophobicContact CB-CG 4.31Å; P130-M155 HydrophobicContact CB-SD 3.39Å; P130-M155 WeakPolarHBondContact CB-SD 3.28Å; P130-M155 HydrophobicContact CG-CG 3.95Å; P130-M155 HydrophobicContact CG-SD 3.53Å; P130-M155 VanDerWaalsContact CG-SD 3.53Å; P130-M158 HydrophobicContact CB-CG 4.08Å; P130-M158 WeakPolarHBondContact O-CE 3.49Å |
| 131 | T | 96.6 | Very high | 97.8 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -6.7 | 173.2 | 53 | 0 | 0 | 0 | 0 | 112.9 | P76 M80 F94 H129 V154 | P76-T131 HydrophobicContact CB-CG2 3.59Å; P76-T131 HydrophobicContact CG-CG2 3.8Å; M80-T131 HydrophobicContact CE-CG2 4.48Å; F94-T131 CarbonylContact C-O 3.56Å; F94-T131 VanDerWaalsContact O-O 3.11Å; H129-T131 PolarHBondContact O-N 3.26Å; T131-V154 HydrophobicContact CG2-CG1 4.42Å |
| 132 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 86.2 | 166.4 | -53.1 | 178.7 | 0 | 0 | 0 | 106.8 | F94 P96 T99 I102 L106 W121 V122 H129 F175 | F94-I132 CarbonylContact O-C 3.56Å; F94-I132 VanDerWaalsContact O-CA 3.24Å; F94-I132 WeakPolarHBondContact O-CA 3.39Å; P96-I132 HydrophobicContact CG-CG1 4.24Å; T99-I132 HydrophobicContact CG2-CD1 4.16Å; I102-I132 HydrophobicContact CG2-CD1 4.49Å; L106-I132 HydrophobicContact CD1-CG2 3.99Å; L106-I132 HydrophobicContact CD2-CG2 3.92Å; W121-I132 VanDerWaalsContact CA-O 3.26Å; W121-I132 WeakPolarHBondContact CA-O 3.3Å; W121-I132 WeakPolarHBondContact CB-O 3.47Å; V122-I132 HydrophobicContact CB-CB 4.19Å; V122-I132 HydrophobicContact CB-CG2 4.19Å; V122-I132 HydrophobicContact CG2-CB 4.05Å; V122-I132 HydrophobicContact CG2-CG2 3.51Å; V122-I132 PolarHBondContact N-O 2.95Å; H129-I132 HydrophobicContact CB-CB 4.18Å; H129-I132 HydrophobicContact CB-CD1 3.93Å; H129-I132 HydrophobicContact CB-CG1 4.07Å; H129-I132 PolarHBondContact O-N 3.34Å; I132-F175 HydrophobicContact CD1-CD1 3.6Å; I132-F175 HydrophobicContact CD1-CE1 4.26Å; I132-F175 HydrophobicContact CG2-CE1 4.49Å |
| 133 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 137.8 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L93 F94 V120 W121 V135 M158 | L93-A133 WeakPolarHBondContact CA-O 3.26Å; F94-A133 PolarHBondContact N-O 2.84Å; F94-A133 PolarHBondContact O-N 3.2Å; V120-A133 CarbonylContact O-C 3.53Å; V120-A133 WeakPolarHBondContact O-CA 3.27Å; W121-A133 HydrophobicContact CB-CB 4.05Å; A133-V135 HydrophobicContact CB-CG2 4.04Å; A133-M158 HydrophobicContact CB-CE 4.18Å |
| 134 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.9 | 166.5 | 177.7 | 64.5 | 0 | 0 | 0 | 108.7 | I4 W91 F92 L110 N111 V119 V120 | I4-L134 HydrophobicContact CD1-CD1 4.05Å; I4-L134 HydrophobicContact CG1-CD1 4.23Å; I4-L134 HydrophobicContact CG2-CD1 3.92Å; W91-L134 HydrophobicContact CB-CD1 4.2Å; W91-L134 HydrophobicContact CD2-CD1 4.43Å; W91-L134 HydrophobicContact CE3-CD1 3.77Å; W91-L134 HydrophobicContact CE3-CD2 4.27Å; W91-L134 HydrophobicContact CE3-CG 3.69Å; W91-L134 HydrophobicContact CZ3-CD2 4.49Å; W91-L134 HydrophobicContact CZ3-CG 4.05Å; F92-L134 CarbonylContact O-C 3.46Å; F92-L134 WeakPolarHBondContact O-CA 3.41Å; L110-L134 HydrophobicContact CB-CB 4.01Å; L110-L134 HydrophobicContact CB-CD2 4.11Å; L110-L134 HydrophobicContact CD1-CB 4.13Å; N111-L134 HydrophobicContact CB-CD2 3.95Å; V119-L134 WeakPolarHBondContact CA-O 3.42Å; V120-L134 HydrophobicContact CG2-CB 3.94Å; V120-L134 HydrophobicContact CG2-CD2 4.41Å; V120-L134 PolarHBondContact N-O 3.26Å; V120-L134 PolarHBondContact O-N 3.31Å |
| 135 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131 | -167.4 | 172 | 0 | 0 | 0 | 0 | 110.3 | M84 W91 F92 F94 V119 A133 I139 | M84-V135 HydrophobicContact CE-CG1 3.92Å; M84-V135 HydrophobicContact SD-CG1 4.07Å; W91-V135 WeakPolarHBondContact CA-O 3.15Å; F92-V135 PolarHBondContact N-O 3.09Å; F92-V135 PolarHBondContact O-N 3.05Å; F94-V135 HydrophobicContact CD2-CB 4.17Å; F94-V135 HydrophobicContact CD2-CG2 3.87Å; F94-V135 HydrophobicContact CE2-CB 3.89Å; F94-V135 HydrophobicContact CE2-CG1 4.31Å; F94-V135 HydrophobicContact CE2-CG2 4.01Å; V119-V135 HydrophobicContact CG1-CG2 4.11Å; A133-V135 HydrophobicContact CB-CG2 4.04Å; V135-I139 HydrophobicContact CB-CD1 4.5Å; V135-I139 HydrophobicContact CG1-CD1 3.29Å; V135-I139 HydrophobicContact CG1-CG1 3.56Å |
| 136 | N | 98.3 | Very high | 97.6 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 144.3 | 173.2 | -166.8 | -99.5 | 0 | 0 | 0 | 112 | M84 E90 W91 P118 A138 I139 | M84-N136 WeakPolarHBondContact CE-O 3.44Å; E90-N136 CarbonylContact O-C 3.58Å; E90-N136 VanDerWaalsContact O-CA 3.3Å; E90-N136 WeakPolarHBondContact O-CA 3.44Å; E90-N136 PolarHBondContact O-ND2 3.23Å; W91-N136 HydrophobicContact CD2-CB 4.33Å; W91-N136 HydrophobicContact CE3-CB 4Å; W91-N136 HydrophobicContact CH2-CB 3.48Å; W91-N136 VanDerWaalsContact CH2-CB 3.48Å; W91-N136 HydrophobicContact CZ2-CB 3.87Å; W91-N136 WeakPolarHBondContact CZ2-ND2 3.4Å; W91-N136 HydrophobicContact CZ3-CB 3.57Å; W91-N136 PolarHBondContact NE1-ND2 2.83Å; P118-N136 HydrophobicContact CB-CB 4.28Å; P118-N136 WeakPolarHBondContact O-CB 3.31Å; P118-N136 PolarHBondContact O-N 3.1Å; N136-A138 PolarHBondContact O-N 2.99Å; N136-A138 VanDerWaalsContact O-N 3.09Å; N136-A138 WeakPolarHBondContact OD1-CB 3.37Å; N136-A138 PolarHBondContact OD1-N 3.13Å; N136-I139 WeakPolarHBondContact O-CG1 3.48Å; N136-I139 PolarHBondContact O-N 2.78Å; N136-I139 VanDerWaalsContact O-N 3.11Å |
| 137 | R | 97.9 | Very high | 97.5 | Very high | 65 Ų | 65 | 39.2 Ų | 39.2 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -53 | -29.9 | 172.9 | 177.2 | 149.1 | -75.6 | 177.5 | 5.1 | 113.8 | M84 E87 G89 E90 F92 I139 E140 | M84-R137 PolarHBondContact O-NH2 2.86Å; E87-R137 VanDerWaalsContact O-CZ 3.27Å; E87-R137 PolarHBondContact O-NH1 2.99Å; E87-R137 PolarHBondContact O-NH2 2.81Å; G89-R137 WeakPolarHBondContact O-CD 3.32Å; G89-R137 PolarHBondContact O-NE 2.9Å; G89-R137 PolarHBondContact O-NH1 3.28Å; E90-R137 PolarHBondContact O-N 3.16Å; F92-R137 HydrophobicContact CE2-CB 4.48Å; R137-I139 PolarHBondContact O-N 3.27Å; R137-E140 IonicContact NE-OE2 2.74Å; R137-E140 VanDerWaalsContact O-CB 3.25Å; R137-E140 WeakPolarHBondContact O-CB 3.38Å; R137-E140 PolarHBondContact O-N 3.26Å |
| 138 | A | 97.6 | Very high | 97.4 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 60% | 0.603 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -56.2 | -21.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | N136 | N136-A138 PolarHBondContact O-N 2.99Å; N136-A138 VanDerWaalsContact O-N 3.09Å; N136-A138 WeakPolarHBondContact OD1-CB 3.37Å; N136-A138 PolarHBondContact OD1-N 3.13Å |
| 139 | I | 97.5 | Very high | 97.3 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -85.6 | -7.9 | 176.5 | 81.1 | 163.6 | 0 | 0 | 0 | 114.1 | M84 P118 V119 V135 N136 R137 L142 L143 F157 A161 | M84-I139 HydrophobicContact CE-CG1 3.95Å; P118-I139 HydrophobicContact CB-CG2 3.73Å; P118-I139 HydrophobicContact CG-CG2 4.14Å; V119-I139 HydrophobicContact CG2-CD1 3.55Å; V119-I139 HydrophobicContact CG2-CG1 4.47Å; V119-I139 HydrophobicContact CG2-CG2 3.85Å; V135-I139 HydrophobicContact CB-CD1 4.5Å; V135-I139 HydrophobicContact CG1-CD1 3.29Å; V135-I139 HydrophobicContact CG1-CG1 3.56Å; N136-I139 WeakPolarHBondContact O-CG1 3.48Å; N136-I139 PolarHBondContact O-N 2.78Å; N136-I139 VanDerWaalsContact O-N 3.11Å; R137-I139 PolarHBondContact O-N 3.27Å; I139-L142 WeakPolarHBondContact O-CB 3.25Å; I139-L142 PolarHBondContact O-N 3.33Å; I139-L142 VanDerWaalsContact O-N 3.12Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 PolarHBondContact O-N 3.22Å; I139-F157 HydrophobicContact CD1-CE1 3.68Å; I139-F157 HydrophobicContact CD1-CZ 3.79Å; I139-F157 HydrophobicContact CG1-CZ 4.49Å; I139-A161 HydrophobicContact CG2-CB 4.4Å |
| 140 | E | 97.9 | Very high | 97 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.3 | -46.6 | -176.7 | -173.2 | -167 | 155 | 0 | 0 | 112.4 | L81 M84 Q85 R137 L142 L143 L144 | L81-E140 HydrophobicContact CD1-CG 4.01Å; M84-E140 HydrophobicContact CB-CB 4.5Å; M84-E140 HydrophobicContact CB-CG 4.03Å; M84-E140 HydrophobicContact CE-CB 3.75Å; M84-E140 HydrophobicContact SD-CB 4.47Å; Q85-E140 WeakPolarHBondContact CG-OE1 3.32Å; R137-E140 IonicContact NE-OE2 2.74Å; R137-E140 VanDerWaalsContact O-CB 3.25Å; R137-E140 WeakPolarHBondContact O-CB 3.38Å; R137-E140 PolarHBondContact O-N 3.26Å; E140-L142 VanDerWaalsContact C-N 3.32Å; E140-L142 PolarHBondContact O-N 3.24Å; E140-L143 PolarHBondContact O-N 3.28Å; E140-L144 PolarHBondContact O-N 2.77Å |
| 141 | P | 98 | Very high | 96.9 | Very high | 88 Ų | 88 | 44.7 Ų | 44.7 | 57% | 0.571 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64 | -38.5 | 178.6 | -21.1 | 35.2 | 0 | 0 | 0 | 112.3 | L144 E145 | P141-L144 PolarHBondContact O-N 3.06Å; P141-E145 PolarHBondContact O-N 2.8Å |
| 142 | L | 98.4 | Very high | 96.7 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 29% | 0.293 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 177.3 | -176 | 67.4 | 0 | 0 | 0 | 111.3 | I139 E140 Y146 F157 A161 | I139-L142 WeakPolarHBondContact O-CB 3.25Å; I139-L142 PolarHBondContact O-N 3.33Å; I139-L142 VanDerWaalsContact O-N 3.12Å; E140-L142 VanDerWaalsContact C-N 3.32Å; E140-L142 PolarHBondContact O-N 3.24Å; L142-Y146 VanDerWaalsContact O-CB 3.27Å; L142-Y146 WeakPolarHBondContact O-CB 3.38Å; L142-Y146 PolarHBondContact O-N 2.66Å; L142-F157 HydrophobicContact CD2-CE2 4.43Å; L142-F157 HydrophobicContact CG-CE2 4.15Å; L142-A161 HydrophobicContact CD2-CB 4Å |
| 143 | L | 97.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.9 | -177.8 | 54.7 | 0 | 0 | 0 | 111.5 | L77 M80 L81 M84 I139 E140 Y146 L147 F157 | L77-L143 HydrophobicContact CB-CD1 3.95Å; L77-L143 HydrophobicContact CD1-CD1 4.25Å; L77-L143 HydrophobicContact CD2-CD1 3.96Å; L77-L143 HydrophobicContact CG-CD1 4.25Å; M80-L143 HydrophobicContact CB-CD2 4.04Å; L81-L143 HydrophobicContact CB-CD2 3.8Å; L81-L143 HydrophobicContact CB-CG 4.06Å; L81-L143 HydrophobicContact CD1-CD2 4.44Å; L81-L143 HydrophobicContact CD1-CG 4.35Å; M84-L143 HydrophobicContact SD-CD2 4.14Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 PolarHBondContact O-N 3.22Å; E140-L143 PolarHBondContact O-N 3.28Å; L143-Y146 PolarHBondContact O-N 2.86Å; L143-L147 HydrophobicContact CD1-CD1 4Å; L143-L147 HydrophobicContact CD1-CG 4.27Å; L143-L147 HydrophobicContact CG-CD1 4.13Å; L143-L147 WeakPolarHBondContact O-CB 3.34Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 3.1Å; L143-F157 VanDerWaalsContact CA-CE2 3.47Å; L143-F157 HydrophobicContact CB-CE1 4.34Å; L143-F157 HydrophobicContact CB-CE2 3.95Å; L143-F157 HydrophobicContact CB-CZ 3.55Å; L143-F157 HydrophobicContact CD1-CD1 4.08Å; L143-F157 HydrophobicContact CD1-CD2 4.19Å; L143-F157 HydrophobicContact CD1-CE1 3.71Å; L143-F157 HydrophobicContact CD1-CE2 3.84Å; L143-F157 HydrophobicContact CD1-CG 4.32Å; L143-F157 HydrophobicContact CD1-CZ 3.59Å; L143-F157 HydrophobicContact CG-CE1 4.44Å; L143-F157 HydrophobicContact CG-CZ 4.08Å |
| 144 | L | 96.2 | Very high | 96.4 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 28% | 0.277 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.6 | -50.8 | 175.6 | 178.7 | 62.9 | 0 | 0 | 0 | 111.3 | L81 E140 P141 Y146 L147 Q148 | L81-L144 HydrophobicContact CD1-CB 4.09Å; L81-L144 HydrophobicContact CD2-CB 4.44Å; L81-L144 HydrophobicContact CD2-CD1 3.8Å; E140-L144 PolarHBondContact O-N 2.77Å; P141-L144 PolarHBondContact O-N 3.06Å; L144-Y146 VanDerWaalsContact C-N 3.34Å; L144-Y146 PolarHBondContact O-N 3.46Å; L144-L147 PolarHBondContact O-N 3.42Å; L144-Q148 HydrophobicContact CD1-CG 4.17Å; L144-Q148 HydrophobicContact CG-CG 4.46Å; L144-Q148 WeakPolarHBondContact O-CB 3.43Å; L144-Q148 VanDerWaalsContact O-CG 3.3Å; L144-Q148 WeakPolarHBondContact O-CG 3.29Å; L144-Q148 PolarHBondContact O-N 3.49Å |
| 145 | E | 97 | Very high | 96.4 | Very high | 131 Ų | 131 | 60.3 Ų | 60.3 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.3 | -45.6 | 179 | -176.3 | 178.9 | -171.8 | 0 | 0 | 111.5 | P141 L147 Q148 A149 | P141-E145 PolarHBondContact O-N 2.8Å; E145-L147 PolarHBondContact O-N 3.45Å; E145-Q148 PolarHBondContact O-N 2.8Å; E145-A149 PolarHBondContact O-N 3.38Å |
| 146 | Y | 97 | Very high | 96.3 | Very high | 19 Ų | 19 | 62.5 Ų | 62.5 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 178.4 | -171.8 | -100.2 | 0 | 0 | 0 | 112 | L77 L142 L143 L144 A149 E151 R153 V156 F157 L160 | L77-Y146 HydrophobicContact CD1-CD1 4.08Å; L77-Y146 HydrophobicContact CD1-CE1 3.89Å; L142-Y146 VanDerWaalsContact O-CB 3.27Å; L142-Y146 WeakPolarHBondContact O-CB 3.38Å; L142-Y146 PolarHBondContact O-N 2.66Å; L143-Y146 PolarHBondContact O-N 2.86Å; L144-Y146 VanDerWaalsContact C-N 3.34Å; L144-Y146 PolarHBondContact O-N 3.46Å; Y146-A149 PolarHBondContact O-N 2.93Å; Y146-E151 HydrophobicContact CD1-CB 3.64Å; Y146-E151 HydrophobicContact CD2-CB 3.92Å; Y146-E151 HydrophobicContact CD2-CG 4.2Å; Y146-E151 HydrophobicContact CE1-CB 3.35Å; Y146-E151 HydrophobicContact CE1-CG 4.45Å; Y146-E151 HydrophobicContact CE2-CB 3.64Å; Y146-E151 HydrophobicContact CE2-CG 3.87Å; Y146-E151 HydrophobicContact CG-CB 3.93Å; Y146-E151 WeakPolarHBondContact O-CB 3.23Å; Y146-E151 PolarHBondContact O-N 3.13Å; Y146-R153 PolarHBondContact OH-O 2.99Å; Y146-R153 VanDerWaalsContact OH-O 3.04Å; Y146-V156 HydrophobicContact CE2-CG1 4.46Å; Y146-V156 WeakPolarHBondContact OH-CB 3.5Å; Y146-V156 WeakPolarHBondContact OH-CG1 3.35Å; Y146-F157 HydrophobicContact CD1-CB 4.04Å; Y146-F157 AromaticContact CD1-CD2 3.73Å; Y146-F157 HydrophobicContact CD1-CD2 3.73Å; Y146-F157 HydrophobicContact CD1-CG 4.19Å; Y146-F157 HydrophobicContact CD2-CD2 4.19Å; Y146-F157 HydrophobicContact CE1-CB 3.66Å; Y146-F157 HydrophobicContact CE1-CD2 4.22Å; Y146-F157 HydrophobicContact CE1-CG 4.31Å; Y146-F157 AromaticContact CG-CD2 3.69Å; Y146-F157 HydrophobicContact CG-CD2 3.69Å; Y146-F157 HydrophobicContact CG-CE2 4.44Å; Y146-L160 HydrophobicContact CD2-CD2 3.76Å; Y146-L160 HydrophobicContact CE2-CD2 4.06Å |
| 147 | L | 94.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 177.5 | -72.9 | 170.1 | 0 | 0 | 0 | 112.6 | L70 L77 L81 L143 L144 E145 A149 G150 | L70-L147 HydrophobicContact CD1-CB 4.22Å; L70-L147 HydrophobicContact CD1-CD1 3.99Å; L77-L147 HydrophobicContact CB-CD1 4.35Å; L77-L147 HydrophobicContact CB-CD2 3.95Å; L77-L147 HydrophobicContact CB-CG 4.49Å; L81-L147 HydrophobicContact CB-CD1 3.96Å; L81-L147 HydrophobicContact CD2-CD1 3.66Å; L81-L147 HydrophobicContact CG-CD1 4.43Å; L143-L147 HydrophobicContact CD1-CD1 4Å; L143-L147 HydrophobicContact CD1-CG 4.27Å; L143-L147 HydrophobicContact CG-CD1 4.13Å; L143-L147 WeakPolarHBondContact O-CB 3.34Å; L143-L147 WeakPolarHBondContact O-CG 3.37Å; L143-L147 PolarHBondContact O-N 3.1Å; L144-L147 PolarHBondContact O-N 3.42Å; E145-L147 PolarHBondContact O-N 3.45Å; L147-A149 VanDerWaalsContact C-N 3.28Å; L147-A149 PolarHBondContact O-N 3.22Å; L147-G150 WeakPolarHBondContact O-CA 3.2Å; L147-G150 PolarHBondContact O-N 3.04Å |
| 148 | Q | 93.7 | Very high | 96.4 | Very high | 145 Ų | 145 | 58.1 Ų | 58.1 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65 | -31.4 | 175.5 | -76 | 177.6 | -15.2 | 0 | 0 | 112.5 | L144 E145 G150 | L144-Q148 HydrophobicContact CD1-CG 4.17Å; L144-Q148 HydrophobicContact CG-CG 4.46Å; L144-Q148 WeakPolarHBondContact O-CB 3.43Å; L144-Q148 VanDerWaalsContact O-CG 3.3Å; L144-Q148 WeakPolarHBondContact O-CG 3.29Å; L144-Q148 PolarHBondContact O-N 3.49Å; E145-Q148 PolarHBondContact O-N 2.8Å; Q148-G150 PolarHBondContact O-N 3.23Å; Q148-G150 VanDerWaalsContact O-N 3.17Å |
| 149 | A | 94.8 | Very high | 96.4 | Very high | 79 Ų | 79 | 61.3 Ų | 61.3 | 65% | 0.653 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E145 Y146 L147 E151 | E145-A149 PolarHBondContact O-N 3.38Å; Y146-A149 PolarHBondContact O-N 2.93Å; L147-A149 VanDerWaalsContact C-N 3.28Å; L147-A149 PolarHBondContact O-N 3.22Å; A149-E151 VanDerWaalsContact C-N 3.3Å; A149-E151 HydrophobicContact CB-CG 4.49Å |
| 150 | G | 92.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 65.9 Ų | 65.9 | 38% | 0.381 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 5.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | L147 Q148 R152 | L147-G150 WeakPolarHBondContact O-CA 3.2Å; L147-G150 PolarHBondContact O-N 3.04Å; Q148-G150 PolarHBondContact O-N 3.23Å; Q148-G150 VanDerWaalsContact O-N 3.17Å; G150-R152 PolarHBondContact O-NH1 3.24Å |
| 151 | E | 94.9 | Very high | 96.4 | Very high | 64 Ų | 64 | 64.2 Ų | 64.2 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | trans | -74.2 | 146.9 | 179.3 | -67.6 | -70.6 | 171.7 | 0 | 0 | 111.8 | Y146 A149 R153 | Y146-E151 HydrophobicContact CD1-CB 3.64Å; Y146-E151 HydrophobicContact CD2-CB 3.92Å; Y146-E151 HydrophobicContact CD2-CG 4.2Å; Y146-E151 HydrophobicContact CE1-CB 3.35Å; Y146-E151 HydrophobicContact CE1-CG 4.45Å; Y146-E151 HydrophobicContact CE2-CB 3.64Å; Y146-E151 HydrophobicContact CE2-CG 3.87Å; Y146-E151 HydrophobicContact CG-CB 3.93Å; Y146-E151 WeakPolarHBondContact O-CB 3.23Å; Y146-E151 PolarHBondContact O-N 3.13Å; A149-E151 VanDerWaalsContact C-N 3.3Å; A149-E151 HydrophobicContact CB-CG 4.49Å; E151-R153 VanDerWaalsContact CD-NH2 3.26Å; E151-R153 IonicContact OE1-NH2 3.1Å; E151-R153 PolarHBondContact OE1-NH2 2.94Å; E151-R153 VanDerWaalsContact OE1-NH2 3.1Å; E151-R153 IonicContact OE2-CZ 3.38Å; E151-R153 IonicContact OE2-NE 3.16Å; E151-R153 PolarHBondContact OE2-NE 2.98Å; E151-R153 VanDerWaalsContact OE2-NE 3.16Å; E151-R153 IonicContact OE2-NH2 2.74Å; E151-R153 PolarHBondContact OE2-NH2 3.21Å | ||
| 152 | R | 93 | Very high | 96.4 | Very high | 151 Ų | 151 | 62.5 Ų | 62.5 | 57% | 0.57 | 32% | 0.323 | S | S | * | . | trans | -139.2 | -2.5 | -174.8 | -62.6 | -178.5 | 177.3 | 86.9 | -3.5 | 114.4 | P74 G150 V154 | P74-R152 HydrophobicContact CB-CG 4.34Å; P74-R152 VanDerWaalsContact CB-NE 3.29Å; P74-R152 WeakPolarHBondContact O-CD 3.46Å; G150-R152 PolarHBondContact O-NH1 3.24Å; R152-V154 PolarHBondContact O-N 3.47Å | ||
| 153 | R | 94.7 | Very high | 96.4 | Very high | 139 Ų | 139 | 60.5 Ų | 60.5 | 53% | 0.525 | 32% | 0.317 | S | S | . | . | trans | -79.4 | 106.8 | -172.7 | -68.3 | 170.4 | -70.9 | 168.8 | -3.1 | 109.9 | Y146 E151 V156 F157 | Y146-R153 PolarHBondContact OH-O 2.99Å; Y146-R153 VanDerWaalsContact OH-O 3.04Å; E151-R153 VanDerWaalsContact CD-NH2 3.26Å; E151-R153 IonicContact OE1-NH2 3.1Å; E151-R153 PolarHBondContact OE1-NH2 2.94Å; E151-R153 VanDerWaalsContact OE1-NH2 3.1Å; E151-R153 IonicContact OE2-CZ 3.38Å; E151-R153 IonicContact OE2-NE 3.16Å; E151-R153 PolarHBondContact OE2-NE 2.98Å; E151-R153 VanDerWaalsContact OE2-NE 3.16Å; E151-R153 IonicContact OE2-NH2 2.74Å; E151-R153 PolarHBondContact OE2-NH2 3.21Å; R153-V156 HydrophobicContact CB-CB 3.84Å; R153-V156 HydrophobicContact CB-CG2 3.76Å; R153-V156 PolarHBondContact O-N 3.46Å; R153-F157 PolarHBondContact O-N 2.74Å | ||
| 154 | V | 96 | Very high | 96.4 | Very high | 25 Ų | 25 | 63.5 Ų | 63.5 | 15% | 0.152 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.7 | -55.3 | -175.1 | -170.3 | 0 | 0 | 0 | 0 | 112 | P76 L77 P130 T131 R152 V156 F157 M158 | P76-V154 HydrophobicContact CG-CG2 4.4Å; L77-V154 HydrophobicContact CD2-CG1 4.14Å; L77-V154 HydrophobicContact CG-CG2 4.27Å; P130-V154 HydrophobicContact CB-CG1 3.76Å; P130-V154 HydrophobicContact CG-CB 4.42Å; P130-V154 HydrophobicContact CG-CG1 3.96Å; T131-V154 HydrophobicContact CG2-CG1 4.42Å; R152-V154 PolarHBondContact O-N 3.47Å; V154-V156 VanDerWaalsContact C-N 3.27Å; V154-V156 PolarHBondContact O-N 2.83Å; V154-F157 WeakPolarHBondContact O-CB 3.32Å; V154-F157 PolarHBondContact O-N 3.46Å; V154-F157 VanDerWaalsContact O-N 3.11Å; V154-M158 HydrophobicContact CG1-CE 4.09Å; V154-M158 HydrophobicContact CG1-CG 4.38Å; V154-M158 WeakPolarHBondContact O-CG 3.38Å; V154-M158 PolarHBondContact O-N 3.01Å |
| 155 | M | 97.5 | Very high | 96.5 | Very high | 39 Ų | 39 | 63 Ų | 63 | 19% | 0.192 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -31.6 | -179.2 | -78.1 | -56.1 | -64.1 | 0 | 0 | 113.8 | W121 D128 P130 R159 | W121-M155 HydrophobicContact CZ2-CE 3.71Å; D128-M155 HydrophobicContact CB-CE 4.08Å; D128-M155 HydrophobicContact CB-SD 3.92Å; P130-M155 HydrophobicContact CB-CG 4.31Å; P130-M155 HydrophobicContact CB-SD 3.39Å; P130-M155 WeakPolarHBondContact CB-SD 3.28Å; P130-M155 HydrophobicContact CG-CG 3.95Å; P130-M155 HydrophobicContact CG-SD 3.53Å; P130-M155 VanDerWaalsContact CG-SD 3.53Å; M155-R159 WeakPolarHBondContact O-CG 3.48Å; M155-R159 PolarHBondContact O-N 2.94Å |
| 156 | V | 97.9 | Very high | 96.6 | Very high | 47 Ų | 47 | 56.9 Ų | 56.9 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.2 | -44.3 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | Y146 R153 V154 R159 L160 | Y146-V156 HydrophobicContact CE2-CG1 4.46Å; Y146-V156 WeakPolarHBondContact OH-CB 3.5Å; Y146-V156 WeakPolarHBondContact OH-CG1 3.35Å; R153-V156 HydrophobicContact CB-CB 3.84Å; R153-V156 HydrophobicContact CB-CG2 3.76Å; R153-V156 PolarHBondContact O-N 3.46Å; V154-V156 VanDerWaalsContact C-N 3.27Å; V154-V156 PolarHBondContact O-N 2.83Å; V156-R159 PolarHBondContact O-N 2.86Å; V156-L160 WeakPolarHBondContact O-CB 3.43Å; V156-L160 PolarHBondContact O-N 3.22Å |
| 157 | F | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 174.7 | 177.5 | -102.1 | 0 | 0 | 0 | 112.4 | L77 I139 L142 L143 Y146 R153 V154 R159 L160 A161 | L77-F157 HydrophobicContact CD1-CB 3.82Å; L77-F157 HydrophobicContact CD1-CD1 4.35Å; L77-F157 HydrophobicContact CD1-CG 4.06Å; L77-F157 HydrophobicContact CD2-CB 4.47Å; L77-F157 HydrophobicContact CD2-CD1 3.69Å; L77-F157 HydrophobicContact CD2-CE1 4.34Å; L77-F157 HydrophobicContact CD2-CG 4.25Å; I139-F157 HydrophobicContact CD1-CE1 3.68Å; I139-F157 HydrophobicContact CD1-CZ 3.79Å; I139-F157 HydrophobicContact CG1-CZ 4.49Å; L142-F157 HydrophobicContact CD2-CE2 4.43Å; L142-F157 HydrophobicContact CG-CE2 4.15Å; L143-F157 VanDerWaalsContact CA-CE2 3.47Å; L143-F157 HydrophobicContact CB-CE1 4.34Å; L143-F157 HydrophobicContact CB-CE2 3.95Å; L143-F157 HydrophobicContact CB-CZ 3.55Å; L143-F157 HydrophobicContact CD1-CD1 4.08Å; L143-F157 HydrophobicContact CD1-CD2 4.19Å; L143-F157 HydrophobicContact CD1-CE1 3.71Å; L143-F157 HydrophobicContact CD1-CE2 3.84Å; L143-F157 HydrophobicContact CD1-CG 4.32Å; L143-F157 HydrophobicContact CD1-CZ 3.59Å; L143-F157 HydrophobicContact CG-CE1 4.44Å; L143-F157 HydrophobicContact CG-CZ 4.08Å; Y146-F157 HydrophobicContact CD1-CB 4.04Å; Y146-F157 AromaticContact CD1-CD2 3.73Å; Y146-F157 HydrophobicContact CD1-CD2 3.73Å; Y146-F157 HydrophobicContact CD1-CG 4.19Å; Y146-F157 HydrophobicContact CD2-CD2 4.19Å; Y146-F157 HydrophobicContact CE1-CB 3.66Å; Y146-F157 HydrophobicContact CE1-CD2 4.22Å; Y146-F157 HydrophobicContact CE1-CG 4.31Å; Y146-F157 AromaticContact CG-CD2 3.69Å; Y146-F157 HydrophobicContact CG-CD2 3.69Å; Y146-F157 HydrophobicContact CG-CE2 4.44Å; R153-F157 PolarHBondContact O-N 2.74Å; V154-F157 WeakPolarHBondContact O-CB 3.32Å; V154-F157 PolarHBondContact O-N 3.46Å; V154-F157 VanDerWaalsContact O-N 3.11Å; F157-R159 VanDerWaalsContact C-N 3.27Å; F157-R159 PolarHBondContact O-N 3.35Å; F157-L160 WeakPolarHBondContact O-CB 3.32Å; F157-L160 PolarHBondContact O-N 3.27Å; F157-A161 HydrophobicContact CE1-CB 4.48Å; F157-A161 HydrophobicContact CZ-CB 4.36Å; F157-A161 WeakPolarHBondContact O-CB 3.27Å; F157-A161 PolarHBondContact O-N 3.14Å |
| 158 | M | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.4 | -38.3 | -178.7 | -64.1 | -44.3 | -170.8 | 0 | 0 | 112.6 | M80 V119 W121 P130 A133 V154 G163 | M80-M158 HydrophobicContact CE-CE 3.92Å; M80-M158 HydrophobicContact SD-CE 3.95Å; V119-M158 HydrophobicContact CG1-SD 3.78Å; W121-M158 HydrophobicContact CE3-CB 3.8Å; W121-M158 HydrophobicContact CE3-CG 4.24Å; W121-M158 HydrophobicContact CH2-CB 4.18Å; W121-M158 HydrophobicContact CZ3-CB 3.58Å; P130-M158 HydrophobicContact CB-CG 4.08Å; P130-M158 WeakPolarHBondContact O-CE 3.49Å; A133-M158 HydrophobicContact CB-CE 4.18Å; V154-M158 HydrophobicContact CG1-CE 4.09Å; V154-M158 HydrophobicContact CG1-CG 4.38Å; V154-M158 WeakPolarHBondContact O-CG 3.38Å; V154-M158 PolarHBondContact O-N 3.01Å; M158-G163 PolarHBondContact O-N 3.32Å; M158-G163 VanDerWaalsContact O-N 3.1Å |
| 159 | R | 97.5 | Very high | 97.1 | Very high | 141 Ų | 141 | 55 Ų | 55 | 53% | 0.532 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.9 | -42 | 173.5 | -72.6 | -172.8 | -70.3 | -99.8 | 2.2 | 112.5 | M155 V156 F157 A161 G162 | M155-R159 WeakPolarHBondContact O-CG 3.48Å; M155-R159 PolarHBondContact O-N 2.94Å; V156-R159 PolarHBondContact O-N 2.86Å; F157-R159 VanDerWaalsContact C-N 3.27Å; F157-R159 PolarHBondContact O-N 3.35Å; R159-A161 VanDerWaalsContact C-N 3.25Å; R159-A161 PolarHBondContact O-N 3.48Å; R159-G162 PolarHBondContact O-N 3.09Å |
| 160 | L | 98 | Very high | 97.2 | Very high | 102 Ų | 102 | 55.9 Ų | 55.9 | 53% | 0.534 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 176.7 | 178.6 | 65.1 | 0 | 0 | 0 | 111.6 | Y146 V156 F157 G162 | Y146-L160 HydrophobicContact CD2-CD2 3.76Å; Y146-L160 HydrophobicContact CE2-CD2 4.06Å; V156-L160 WeakPolarHBondContact O-CB 3.43Å; V156-L160 PolarHBondContact O-N 3.22Å; F157-L160 WeakPolarHBondContact O-CB 3.32Å; F157-L160 PolarHBondContact O-N 3.27Å; L160-G162 PolarHBondContact O-N 3.42Å |
| 161 | A | 98.1 | Very high | 97.2 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 0.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P118 V119 I139 L142 F157 R159 | P118-A161 WeakPolarHBondContact CG-O 3.4Å; V119-A161 HydrophobicContact CG2-CB 4.08Å; I139-A161 HydrophobicContact CG2-CB 4.4Å; L142-A161 HydrophobicContact CD2-CB 4Å; F157-A161 HydrophobicContact CE1-CB 4.48Å; F157-A161 HydrophobicContact CZ-CB 4.36Å; F157-A161 WeakPolarHBondContact O-CB 3.27Å; F157-A161 PolarHBondContact O-N 3.14Å; R159-A161 VanDerWaalsContact C-N 3.25Å; R159-A161 PolarHBondContact O-N 3.48Å |
| 162 | G | 97.6 | Very high | 97 | Very high | 51 Ų | 51 | 58.8 Ų | 58.8 | 53% | 0.526 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 26.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R159 L160 | R159-G162 PolarHBondContact O-N 3.09Å; L160-G162 PolarHBondContact O-N 3.42Å |
| 163 | G | 98.4 | Very high | 96.9 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | trans | -87.2 | 169 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V119 W121 M158 | V119-G163 WeakPolarHBondContact O-CA 3.5Å; W121-G163 WeakPolarHBondContact CH2-O 3.44Å; M158-G163 PolarHBondContact O-N 3.32Å; M158-G163 VanDerWaalsContact O-N 3.1Å | ||
| 164 | H | 98.7 | Very high | 96.9 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 30% | 0.296 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 160.9 | 174.1 | 61.1 | -92.9 | 0 | 0 | 0 | 113 | Q113 R114 A117 V119 V120 W121 | Q113-H164 PolarHBondContact O-NE2 3.47Å; R114-H164 PolarHBondContact O-CE1 2.8Å; R114-H164 VanDerWaalsContact O-CE1 3.31Å; A117-H164 VanDerWaalsContact CB-CE1 3.49Å; A117-H164 WeakPolarHBondContact CB-CE1 3.34Å; V119-H164 PolarHBondContact O-N 2.69Å; V120-H164 VanDerWaalsContact CA-O 3.28Å; V120-H164 WeakPolarHBondContact CA-O 3.34Å; V120-H164 WeakPolarHBondContact CG1-NE2 3.45Å; V120-H164 WeakPolarHBondContact CG1-O 3.42Å; W121-H164 VanDerWaalsContact CH2-CA 3.48Å; W121-H164 VanDerWaalsContact CZ3-N 3.28Å; W121-H164 PolarHBondContact N-O 2.95Å |
| 165 | A | 98.6 | Very high | 96.8 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 34% | 0.339 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 142.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W121 H123 | W121-A165 HydrophobicContact CZ2-CB 4.11Å; W121-A165 CarbonylContact O-C 3.57Å; W121-A165 WeakPolarHBondContact O-CA 3.44Å; H123-A165 HydrophobicContact CB-CB 3.91Å |
| 166 | V | 98.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.4 | 169.6 | 174.9 | 0 | 0 | 0 | 0 | 108.1 | R109 L110 Q113 V120 W121 H123 F168 | R109-V166 HydrophobicContact CG-CG1 4.28Å; L110-V166 HydrophobicContact CD2-CB 3.83Å; L110-V166 HydrophobicContact CD2-CG1 4.31Å; L110-V166 HydrophobicContact CD2-CG2 3.94Å; Q113-V166 HydrophobicContact CB-CB 4.23Å; Q113-V166 HydrophobicContact CB-CG1 3.55Å; Q113-V166 HydrophobicContact CB-CG2 3.61Å; Q113-V166 HydrophobicContact CG-CG1 3.73Å; V120-V166 HydrophobicContact CB-CG2 3.76Å; V120-V166 HydrophobicContact CG1-CG2 3.95Å; V120-V166 HydrophobicContact CG2-CG2 4.23Å; W121-V166 PolarHBondContact O-N 2.79Å; H123-V166 PolarHBondContact N-O 2.7Å; V166-F168 HydrophobicContact CB-CD2 4.42Å; V166-F168 HydrophobicContact CB-CE2 4.16Å; V166-F168 HydrophobicContact CG1-CD2 3.92Å; V166-F168 HydrophobicContact CG1-CE2 3.57Å; V166-F168 WeakPolarHBondContact O-CD2 3.33Å; V166-F168 PolarHBondContact O-N 2.94Å |
| 167 | D | 98.5 | Very high | 95.9 | Very high | 83 Ų | 83 | 48.9 Ų | 48.9 | 44% | 0.444 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 126.2 | -179.6 | -173.3 | 3.2 | 0 | 0 | 0 | 110.9 | R109 S169 | R109-D167 VanDerWaalsContact CZ-O 3.22Å; R109-D167 PolarHBondContact NE-O 2.86Å; R109-D167 PolarHBondContact NH2-O 3.38Å; D167-S169 WeakPolarHBondContact OD1-CB 3.4Å; D167-S169 PolarHBondContact OD1-N 3.19Å; D167-S169 PolarHBondContact OD1-OG 3.44Å; D167-S169 PolarHBondContact OD2-OG 3.12Å |
| 168 | F | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -130.4 | 28.9 | 171.1 | -80.1 | -101.3 | 0 | 0 | 0 | 111.2 | P103 L106 R109 L110 V122 H123 V166 D170 H171 F175 | P103-F168 HydrophobicContact CG-CD1 4.43Å; P103-F168 HydrophobicContact CG-CE1 4.22Å; L106-F168 HydrophobicContact CD1-CE1 4.12Å; L106-F168 HydrophobicContact CD1-CE2 4.38Å; L106-F168 HydrophobicContact CD1-CZ 3.76Å; R109-F168 HydrophobicContact CB-CE1 4.04Å; R109-F168 HydrophobicContact CB-CE2 4.44Å; R109-F168 HydrophobicContact CB-CZ 3.64Å; R109-F168 VanDerWaalsContact CD-CE1 3.46Å; R109-F168 HydrophobicContact CG-CE1 3.95Å; R109-F168 HydrophobicContact CG-CE2 3.92Å; R109-F168 HydrophobicContact CG-CZ 3.52Å; L110-F168 HydrophobicContact CD2-CE2 3.92Å; L110-F168 HydrophobicContact CG-CE2 4.09Å; L110-F168 HydrophobicContact CG-CZ 4.2Å; V122-F168 HydrophobicContact CB-CD2 4.37Å; V122-F168 HydrophobicContact CG1-CB 4.11Å; V122-F168 HydrophobicContact CG1-CD2 4.09Å; V122-F168 HydrophobicContact CG1-CG 4.26Å; V122-F168 HydrophobicContact CG2-CD2 3.92Å; V122-F168 HydrophobicContact CG2-CE2 3.87Å; V122-F168 HydrophobicContact CG2-CZ 4.44Å; H123-F168 PolarHBondContact O-N 3.42Å; V166-F168 HydrophobicContact CB-CD2 4.42Å; V166-F168 HydrophobicContact CB-CE2 4.16Å; V166-F168 HydrophobicContact CG1-CD2 3.92Å; V166-F168 HydrophobicContact CG1-CE2 3.57Å; V166-F168 WeakPolarHBondContact O-CD2 3.33Å; V166-F168 PolarHBondContact O-N 2.94Å; F168-D170 PolarHBondContact O-N 3.32Å; F168-D170 VanDerWaalsContact O-N 3.15Å; F168-H171 CarbonylContact O-C 3.56Å; F168-H171 WeakPolarHBondContact O-CA 3.39Å; F168-H171 PolarHBondContact O-N 2.97Å; F168-F175 HydrophobicContact CB-CD2 4.3Å; F168-F175 HydrophobicContact CB-CE2 3.46Å; F168-F175 VanDerWaalsContact CB-CE2 3.46Å; F168-F175 HydrophobicContact CB-CZ 3.93Å; F168-F175 AromaticContact CD1-CE2 3.78Å; F168-F175 HydrophobicContact CD1-CE2 3.78Å; F168-F175 AromaticContact CD1-CZ 3.52Å; F168-F175 HydrophobicContact CD1-CZ 3.52Å; F168-F175 HydrophobicContact CE1-CZ 4.05Å; F168-F175 AromaticContact CG-CE2 3.84Å; F168-F175 HydrophobicContact CG-CE2 3.84Å; F168-F175 AromaticContact CG-CZ 3.78Å; F168-F175 HydrophobicContact CG-CZ 3.78Å | ||
| 169 | S | 97.5 | Very high | 94.1 | Very high | 60 Ų | 60 | 51.8 Ų | 51.8 | 42% | 0.42 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -59.5 | -23.6 | 179.8 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | D124 D167 H171 | D124-S169 WeakPolarHBondContact O-CA 3.34Å; D167-S169 WeakPolarHBondContact OD1-CB 3.4Å; D167-S169 PolarHBondContact OD1-N 3.19Å; D167-S169 PolarHBondContact OD1-OG 3.44Å; D167-S169 PolarHBondContact OD2-OG 3.12Å; S169-H171 PolarHBondContact O-N 3.25Å |
| 170 | D | 97.5 | Very high | 92.9 | Very high | 99 Ų | 99 | 46.9 Ų | 46.9 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -72.7 | -10.1 | 171 | 63 | -29.4 | 0 | 0 | 0 | 113.8 | R109 F168 | R109-D170 IonicContact CZ-OD1 3.73Å; R109-D170 IonicContact CZ-OD2 3.22Å; R109-D170 VanDerWaalsContact NH1-CG 3.28Å; R109-D170 IonicContact NH1-OD1 2.66Å; R109-D170 PolarHBondContact NH1-OD1 2.81Å; R109-D170 IonicContact NH1-OD2 2.92Å; R109-D170 PolarHBondContact NH1-OD2 3.49Å; R109-D170 IonicContact NH2-OD1 2.6Å; R109-D170 PolarHBondContact NH2-OD1 2.79Å; R109-D170 IonicContact NH2-OD2 2.77Å; F168-D170 PolarHBondContact O-N 3.32Å; F168-D170 VanDerWaalsContact O-N 3.15Å |
| 171 | H | 93.8 | Very high | 91.6 | Very high | 67 Ų | 67 | 45 Ų | 45 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -126.3 | 32.6 | 179 | -71.3 | 81.8 | 0 | 0 | 0 | 112.2 | F168 S169 D173 A174 F175 | F168-H171 CarbonylContact O-C 3.56Å; F168-H171 WeakPolarHBondContact O-CA 3.39Å; F168-H171 PolarHBondContact O-N 2.97Å; S169-H171 PolarHBondContact O-N 3.25Å; H171-D173 VanDerWaalsContact C-N 3.28Å; H171-D173 PolarHBondContact O-N 3.2Å; H171-D173 VanDerWaalsContact O-N 3.13Å; H171-A174 HydrophobicContact CB-CB 4.09Å; H171-A174 WeakPolarHBondContact O-CB 3.49Å; H171-A174 PolarHBondContact O-N 3.28Å; H171-F175 HydrophobicContact CB-CE2 3.99Å; H171-F175 VanDerWaalsContact O-CD2 3.31Å; H171-F175 WeakPolarHBondContact O-CD2 3.31Å |
| 172 | K | 89.2 | Confident | 90.5 | Very high | 94 Ų | 94 | 51.1 Ų | 51.1 | 41% | 0.409 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -47.8 | -47.2 | -174.2 | -175.5 | 177.9 | -179 | 178.6 | 0 | 113.9 | E126 A174 F175 | E126-K172 WeakPolarHBondContact OE2-CE 3.37Å; E126-K172 IonicContact OE2-NZ 3.6Å; E126-K172 PolarHBondContact OE2-NZ 2.88Å; K172-A174 PolarHBondContact O-N 3.19Å; K172-F175 PolarHBondContact O-N 2.93Å |
| 173 | D | 91.3 | Very high | 89.4 | Confident | 120 Ų | 120 | 51.7 Ų | 51.7 | 64% | 0.642 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -69.4 | -14.8 | -177.2 | -65.5 | -29.1 | 0 | 0 | 0 | 113.6 | H171 F175 V176 | H171-D173 VanDerWaalsContact C-N 3.28Å; H171-D173 PolarHBondContact O-N 3.2Å; H171-D173 VanDerWaalsContact O-N 3.13Å; D173-F175 PolarHBondContact O-N 3.1Å; D173-V176 WeakPolarHBondContact O-CG2 3.44Å |
| 174 | A | 94 | Very high | 88.3 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -71.5 | -19.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y101 I102 P103 H171 K172 | Y101-A174 CarbonylContact C-O 3.37Å; Y101-A174 WeakPolarHBondContact O-CA 3.36Å; Y101-A174 VanDerWaalsContact O-CB 3.32Å; Y101-A174 WeakPolarHBondContact O-CB 3.38Å; I102-A174 PolarHBondContact N-O 2.67Å; P103-A174 HydrophobicContact CB-CB 4.42Å; P103-A174 HydrophobicContact CG-CB 4.35Å; H171-A174 HydrophobicContact CB-CB 4.09Å; H171-A174 WeakPolarHBondContact O-CB 3.49Å; H171-A174 PolarHBondContact O-N 3.28Å; K172-A174 PolarHBondContact O-N 3.19Å |
| 175 | F | 95 | Very high | 87.2 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -110.3 | 22.1 | -175.8 | -54.7 | -72.3 | 0 | 0 | 0 | 113.2 | I102 P103 L106 V122 D124 H129 I132 F168 H171 K172 D173 N177 | I102-F175 HydrophobicContact CG2-CD1 4.45Å; I102-F175 HydrophobicContact CG2-CE1 4.42Å; P103-F175 HydrophobicContact CG-CZ 3.87Å; L106-F175 HydrophobicContact CD1-CE1 4.15Å; L106-F175 HydrophobicContact CD1-CZ 4.38Å; V122-F175 HydrophobicContact CB-CE1 4.28Å; V122-F175 HydrophobicContact CG1-CD1 3.77Å; V122-F175 HydrophobicContact CG1-CD2 3.95Å; V122-F175 HydrophobicContact CG1-CE1 3.69Å; V122-F175 HydrophobicContact CG1-CE2 3.92Å; V122-F175 HydrophobicContact CG1-CG 3.88Å; V122-F175 HydrophobicContact CG1-CZ 3.75Å; V122-F175 HydrophobicContact CG2-CE1 3.84Å; V122-F175 HydrophobicContact CG2-CZ 4.13Å; D124-F175 HydrophobicContact CB-CB 4.18Å; D124-F175 HydrophobicContact CB-CD2 4.11Å; D124-F175 HydrophobicContact CB-CG 4.47Å; H129-F175 PolarHBondContact CE1-O 3.02Å; I132-F175 HydrophobicContact CD1-CD1 3.6Å; I132-F175 HydrophobicContact CD1-CE1 4.26Å; I132-F175 HydrophobicContact CG2-CE1 4.49Å; F168-F175 HydrophobicContact CB-CD2 4.3Å; F168-F175 HydrophobicContact CB-CE2 3.46Å; F168-F175 VanDerWaalsContact CB-CE2 3.46Å; F168-F175 HydrophobicContact CB-CZ 3.93Å; F168-F175 AromaticContact CD1-CE2 3.78Å; F168-F175 HydrophobicContact CD1-CE2 3.78Å; F168-F175 AromaticContact CD1-CZ 3.52Å; F168-F175 HydrophobicContact CD1-CZ 3.52Å; F168-F175 HydrophobicContact CE1-CZ 4.05Å; F168-F175 AromaticContact CG-CE2 3.84Å; F168-F175 HydrophobicContact CG-CE2 3.84Å; F168-F175 AromaticContact CG-CZ 3.78Å; F168-F175 HydrophobicContact CG-CZ 3.78Å; H171-F175 HydrophobicContact CB-CE2 3.99Å; H171-F175 VanDerWaalsContact O-CD2 3.31Å; H171-F175 WeakPolarHBondContact O-CD2 3.31Å; K172-F175 PolarHBondContact O-N 2.93Å; D173-F175 PolarHBondContact O-N 3.1Å; F175-N177 PolarHBondContact O-N 3.18Å; F175-N177 PolarHBondContact O-OD1 3.19Å |
| 176 | V | 90.6 | Very high | 86.2 | Confident | 28 Ų | 28 | 60 Ų | 60 | 17% | 0.17 | 31% | 0.313 | C | S | . | . | trans | -67.9 | 131.3 | 171.6 | -62.4 | 0 | 0 | 0 | 0 | 110.3 | Y101 D173 W187 | Y101-V176 HydrophobicContact CD2-CG2 3.58Å; Y101-V176 HydrophobicContact CE2-CG2 4.07Å; D173-V176 WeakPolarHBondContact O-CG2 3.44Å; V176-W187 HydrophobicContact CB-CH2 4.35Å; V176-W187 HydrophobicContact CB-CZ2 3.97Å; V176-W187 HydrophobicContact CG1-CH2 4.1Å; V176-W187 HydrophobicContact CG1-CZ2 3.99Å; V176-W187 HydrophobicContact CG2-CH2 3.82Å; V176-W187 HydrophobicContact CG2-CZ2 3.7Å; V176-W187 HydrophobicContact CG2-CZ3 4.41Å | ||
| 177 | N | 86 | Confident | 85.2 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 16% | 0.16 | 33% | 0.329 | C | S | . | . | trans | -93.2 | 134.6 | 173.9 | -61.3 | 66.2 | 0 | 0 | 0 | 109.2 | D98 T99 R127 F175 N179 | D98-N177 CarbonylContact O-C 3.53Å; D98-N177 VanDerWaalsContact O-CA 3.3Å; D98-N177 WeakPolarHBondContact O-CA 3.34Å; D98-N177 PolarHBondContact OD1-ND2 2.82Å; D98-N177 VanDerWaalsContact OD1-ND2 3.15Å; D98-N177 PolarHBondContact OD2-ND2 2.92Å; T99-N177 HydrophobicContact CG2-CB 4.43Å; R127-N177 PolarHBondContact NH2-OD1 2.88Å; F175-N177 PolarHBondContact O-N 3.18Å; F175-N177 PolarHBondContact O-OD1 3.19Å; N177-N179 PolarHBondContact O-ND2 3.39Å | ||
| 178 | V | 83.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | trans | -94.4 | 96 | 171 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | K22 L32 D98 P100 L184 | K22-V178 WeakPolarHBondContact CE-O 3.37Å; K22-V178 PolarHBondContact NZ-O 3.5Å; L32-V178 HydrophobicContact CD1-CB 4.01Å; L32-V178 HydrophobicContact CD1-CG1 4.11Å; L32-V178 HydrophobicContact CD2-CB 4.12Å; L32-V178 HydrophobicContact CD2-CG1 4.42Å; L32-V178 HydrophobicContact CD2-CG2 4.18Å; D98-V178 PolarHBondContact O-N 2.84Å; P100-V178 HydrophobicContact CG-CG2 4.03Å; V178-L184 HydrophobicContact CG1-CB 3.66Å; V178-L184 HydrophobicContact CG1-CD1 3.65Å; V178-L184 HydrophobicContact CG1-CG 4.27Å | ||
| 179 | N | 75.1 | Confident | 82.6 | Confident | 62 Ų | 62 | 70.7 Ų | 70.7 | 33% | 0.332 | 36% | 0.357 | S | S | . | . | trans | -91.4 | -33 | -172.1 | -60.5 | -67 | 0 | 0 | 0 | 115.1 | K22 N177 E183 | K22-N179 PolarHBondContact NZ-OD1 3.04Å; N177-N179 PolarHBondContact O-ND2 3.39Å; N179-E183 WeakPolarHBondContact CA-OE2 3.49Å; N179-E183 WeakPolarHBondContact CB-OE2 3.42Å; N179-E183 PolarHBondContact N-OE2 3.13Å; N179-E183 PolarHBondContact ND2-OE2 3.31Å | ||
| 180 | T | 71.2 | Confident | 80.4 | Confident | 38 Ų | 38 | 77.9 Ų | 77.9 | 23% | 0.233 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -129.1 | 157.6 | -177.3 | 77.5 | 0 | 0 | 0 | 0 | 111.2 | E182 E183 L184 | T180-E182 VanDerWaalsContact CB-OE2 3.23Å; T180-E182 WeakPolarHBondContact CB-OE2 3.27Å; T180-E182 PolarHBondContact O-N 2.81Å; T180-E182 PolarHBondContact OG1-N 3.16Å; T180-E182 PolarHBondContact OG1-OE2 2.92Å; T180-E183 WeakPolarHBondContact O-CB 3.34Å; T180-E183 PolarHBondContact O-N 2.69Å; T180-E183 VanDerWaalsContact O-N 3.1Å; T180-E183 PolarHBondContact OG1-N 3.23Å; T180-L184 WeakPolarHBondContact O-CB 3.34Å; T180-L184 PolarHBondContact O-N 2.88Å |
| 181 | P | 71.9 | Confident | 77.8 | Confident | 64 Ų | 64 | 88 Ų | 88 | 42% | 0.416 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -55.3 | -30.8 | 168.2 | -27.5 | 35.1 | 0 | 0 | 0 | 112.9 | M17 L184 A185 | M17-P181 VanDerWaalsContact CE-CD 3.42Å; M17-P181 HydrophobicContact CE-CG 4.02Å; P181-L184 WeakPolarHBondContact O-CB 3.41Å; P181-L184 PolarHBondContact O-N 3.44Å; P181-A185 PolarHBondContact O-N 3.07Å |
| 182 | E | 74.7 | Confident | 77 | Confident | 139 Ų | 139 | 89 Ų | 89 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -70.6 | -39 | 174.6 | -54.3 | 104.3 | 175.4 | 0 | 0 | 112.2 | T180 A185 | T180-E182 VanDerWaalsContact CB-OE2 3.23Å; T180-E182 WeakPolarHBondContact CB-OE2 3.27Å; T180-E182 PolarHBondContact O-N 2.81Å; T180-E182 PolarHBondContact OG1-N 3.16Å; T180-E182 PolarHBondContact OG1-OE2 2.92Å; E182-A185 PolarHBondContact O-N 3.24Å |
| 183 | E | 75.4 | Confident | 76.4 | Confident | 64 Ų | 64 | 88.7 Ų | 88.7 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63 | -46.2 | 171.3 | -75.3 | 178 | -179.3 | 0 | 0 | 110.2 | N179 T180 A185 R186 | N179-E183 WeakPolarHBondContact CA-OE2 3.49Å; N179-E183 WeakPolarHBondContact CB-OE2 3.42Å; N179-E183 PolarHBondContact N-OE2 3.13Å; N179-E183 PolarHBondContact ND2-OE2 3.31Å; T180-E183 WeakPolarHBondContact O-CB 3.34Å; T180-E183 PolarHBondContact O-N 2.69Å; T180-E183 VanDerWaalsContact O-N 3.1Å; T180-E183 PolarHBondContact OG1-N 3.23Å; E183-A185 PolarHBondContact O-N 3.32Å; E183-R186 WeakPolarHBondContact O-CB 3.21Å; E183-R186 PolarHBondContact O-N 3.5Å |
| 184 | L | 75 | Confident | 75.5 | Confident | 15 Ų | 15 | 87 Ų | 87 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -53 | -43.5 | 176.5 | -172.8 | 72.9 | 0 | 0 | 0 | 111.3 | L25 E26 L27 L32 V178 T180 P181 R186 W187 Q188 | L25-L184 HydrophobicContact CB-CD2 4.21Å; E26-L184 WeakPolarHBondContact O-CD2 3.43Å; L27-L184 HydrophobicContact CB-CD1 3.72Å; L27-L184 HydrophobicContact CD1-CD1 4.02Å; L27-L184 HydrophobicContact CG-CD1 4.44Å; L32-L184 HydrophobicContact CD2-CD1 4.07Å; L32-L184 HydrophobicContact CG-CD1 4.39Å; V178-L184 HydrophobicContact CG1-CB 3.66Å; V178-L184 HydrophobicContact CG1-CD1 3.65Å; V178-L184 HydrophobicContact CG1-CG 4.27Å; T180-L184 WeakPolarHBondContact O-CB 3.34Å; T180-L184 PolarHBondContact O-N 2.88Å; P181-L184 WeakPolarHBondContact O-CB 3.41Å; P181-L184 PolarHBondContact O-N 3.44Å; L184-R186 PolarHBondContact O-N 2.83Å; L184-W187 CarbonylContact O-C 3.58Å; L184-W187 PolarHBondContact O-N 3.2Å; L184-Q188 WeakPolarHBondContact O-CG 3.42Å; L184-Q188 PolarHBondContact O-N 3.31Å |
| 185 | A | 75.7 | Confident | 74.4 | Confident | 67 Ų | 67 | 91.3 Ų | 91.3 | 55% | 0.554 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.7 | -24.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P181 E182 E183 W187 | P181-A185 PolarHBondContact O-N 3.07Å; E182-A185 PolarHBondContact O-N 3.24Å; E183-A185 PolarHBondContact O-N 3.32Å; A185-W187 VanDerWaalsContact C-N 3.33Å |
| 186 | R | 77.5 | Confident | 73.2 | Confident | 211 Ų | 211 | 96.9 Ų | 96.9 | 80% | 0.796 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -74.6 | -26.3 | 173.9 | -61.7 | 180 | -178 | 179.1 | 1 | 112.7 | E183 L184 | E183-R186 WeakPolarHBondContact O-CB 3.21Å; E183-R186 PolarHBondContact O-N 3.5Å; L184-R186 PolarHBondContact O-N 2.83Å |
| 187 | W | 77.2 | Confident | 72 | Confident | 91 Ų | 91 | 101.5 Ų | 101.5 | 35% | 0.345 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -98.7 | -8.2 | -178.3 | -61.8 | 105 | 0 | 0 | 0 | 113.3 | L27 Y101 V176 L184 A185 E189 | L27-W187 HydrophobicContact CD1-CB 3.82Å; L27-W187 WeakPolarHBondContact CD1-O 3.42Å; Y101-W187 AromaticContact CE2-CD2 3.99Å; Y101-W187 HydrophobicContact CE2-CD2 3.99Å; Y101-W187 AromaticContact CE2-CE3 3.59Å; Y101-W187 HydrophobicContact CE2-CE3 3.59Å; Y101-W187 HydrophobicContact CE2-CG 4.46Å; Y101-W187 HydrophobicContact CE2-CZ3 4.01Å; V176-W187 HydrophobicContact CB-CH2 4.35Å; V176-W187 HydrophobicContact CB-CZ2 3.97Å; V176-W187 HydrophobicContact CG1-CH2 4.1Å; V176-W187 HydrophobicContact CG1-CZ2 3.99Å; V176-W187 HydrophobicContact CG2-CH2 3.82Å; V176-W187 HydrophobicContact CG2-CZ2 3.7Å; V176-W187 HydrophobicContact CG2-CZ3 4.41Å; L184-W187 CarbonylContact O-C 3.58Å; L184-W187 PolarHBondContact O-N 3.2Å; A185-W187 VanDerWaalsContact C-N 3.33Å; W187-E189 PolarHBondContact O-N 2.92Å |
| 188 | Q | 76.9 | Confident | 71 | Confident | 68 Ų | 68 | 106.6 Ų | 106.6 | 32% | 0.318 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -64.2 | 120.2 | 170.1 | -67.1 | -70.8 | -23.2 | 0 | 0 | 108.8 | E26 N28 L184 K190 | E26-Q188 PolarHBondContact O-NE2 3.3Å; N28-Q188 WeakPolarHBondContact OD1-CA 3.35Å; N28-Q188 PolarHBondContact OD1-OE1 3.27Å; L184-Q188 WeakPolarHBondContact O-CG 3.42Å; L184-Q188 PolarHBondContact O-N 3.31Å; Q188-K190 PolarHBondContact O-N 3.36Å; Q188-K190 VanDerWaalsContact O-N 3.16Å |
| 189 | E | 65.1 | Low | 70 | Confident | 153 Ų | 153 | 114.8 Ų | 114.8 | 72% | 0.715 | 53% | 0.525 | S | S | * | . | trans | -63 | 120.2 | 168.8 | -72.7 | -179.2 | 173 | 0 | 0 | 107.3 | N28 W187 R191 | N28-E189 PolarHBondContact OD1-N 3.06Å; W187-E189 PolarHBondContact O-N 2.92Å; E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 2.83Å | ||
| 190 | K | 51.7 | Low | 69.6 | Low | 210 Ų | 210 | 119.3 Ų | 119.3 | 91% | 0.913 | 54% | 0.541 | S | S | * | . | trans | -64.5 | 98.6 | 172.2 | -73.1 | -175.4 | 179.7 | 180 | 0 | 107.2 | Q188 | Q188-K190 PolarHBondContact O-N 3.36Å; Q188-K190 VanDerWaalsContact O-N 3.16Å | ||
| 191 | R | 43.1 | Very low | 69.5 | Low | 311 Ų | 311 | 126.6 Ų | 126.6 | 100% | 1.174 | 57% | 0.569 | S | S | * | * | trans | -54 | 0 | 169.7 | -75.2 | -175.1 | 60.7 | -167.4 | -2.7 | 112 | E189 | E189-R191 VanDerWaalsContact C-N 3.3Å; E189-R191 PolarHBondContact O-N 2.83Å |
Retrieved 191 of 191 residues in 194.2 ms
(Link to these results)