| 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 | 36.4 | Very low | 53.7 | Low | 248 Ų | 248 | 113.4 Ų | 113.4 | 100% | 1.222 | 70% | 0.699 | S | S | * | * | 0 | 107.1 | 0 | -75 | -167 | -94.5 | 0 | 0 | 107.6 | A3 | M1-A3 PolarHBondContact O-N 3.47Š| |||
| 2 | A | 31.9 | Very low | 56.9 | Low | 102 Ų | 102 | 110.9 Ų | 110.9 | 84% | 0.843 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 125.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | V4 | A2-V4 PolarHBondContact O-N 3.45Š|
| 3 | A | 30.3 | Very low | 59.8 | Low | 95 Ų | 95 | 103.6 Ų | 103.6 | 79% | 0.785 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 123.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | M1 P5 | M1-A3 PolarHBondContact O-N 3.47Å; A3-P5 WeakPolarHBondContact O-CD 3.36Å |
| 4 | V | 39.4 | Very low | 62.4 | Low | 134 Ų | 134 | 99.7 Ų | 99.7 | 81% | 0.812 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 120.3 | 168.5 | -179.4 | 0 | 0 | 0 | 0 | 106.2 | A2 S6 | A2-V4 PolarHBondContact O-N 3.45Å; V4-S6 PolarHBondContact O-N 2.99Å |
| 5 | P | 38.8 | Very low | 64.5 | Low | 113 Ų | 113 | 93.7 Ų | 93.7 | 73% | 0.734 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128.8 | 179.6 | 17 | -23.1 | 0 | 0 | 0 | 108.3 | A3 S7 | A3-P5 WeakPolarHBondContact O-CD 3.36Å; P5-S7 PolarHBondContact O-N 3.22Å |
| 6 | S | 42.9 | Very low | 66.4 | Low | 120 Ų | 120 | 93.2 Ų | 93.2 | 84% | 0.839 | 57% | 0.568 | S | S | * | * | trans | -51.3 | 101.8 | 172.4 | 168 | 0 | 0 | 0 | 0 | 108.3 | V4 K8 | V4-S6 PolarHBondContact O-N 2.99Å; S6-K8 PolarHBondContact O-N 3.18Å; S6-K8 VanDerWaalsContact O-N 3.07Å | ||
| 7 | S | 55.2 | Low | 67.9 | Low | 59 Ų | 59 | 88.8 Ų | 88.8 | 41% | 0.413 | 54% | 0.542 | S | S | . | . | trans | -63.3 | 114.1 | 174.2 | 61.5 | 0 | 0 | 0 | 0 | 106.7 | P5 L9 | P5-S7 PolarHBondContact O-N 3.22Å; S7-L9 PolarHBondContact O-N 3.37Å | ||
| 8 | K | 61.5 | Low | 69 | Low | 194 Ų | 194 | 91.2 Ų | 91.2 | 84% | 0.843 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 118.9 | 177 | -159.8 | 177.3 | -174.3 | -179.6 | 0 | 107.9 | S6 L10 | S6-K8 PolarHBondContact O-N 3.18Å; S6-K8 VanDerWaalsContact O-N 3.07Å; K8-L10 PolarHBondContact O-N 3.13Å |
| 9 | L | 75.4 | Confident | 70.2 | Confident | 115 Ų | 115 | 88.7 Ų | 88.7 | 60% | 0.602 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 125.9 | -176.9 | -80.9 | 147 | 0 | 0 | 0 | 110.1 | S7 G11 E108 | S7-L9 PolarHBondContact O-N 3.37Å; L9-G11 PolarHBondContact O-N 3.47Å; L9-E108 WeakPolarHBondContact CD2-OE1 3.28Å |
| 10 | L | 88.9 | Confident | 71.3 | Confident | 19 Ų | 19 | 92.7 Ų | 92.7 | 10% | 0.099 | 56% | 0.56 | C | S | . | * | P | Polyproline II helix | trans | -64.2 | 130.7 | 176.1 | -64.2 | 179 | 0 | 0 | 0 | 109.6 | K8 R12 P60 P63 W78 L102 V105 | K8-L10 PolarHBondContact O-N 3.13Å; L10-R12 PolarHBondContact O-N 2.91Å; L10-P60 HydrophobicContact CB-CB 4.47Å; L10-P60 HydrophobicContact CD1-CB 4.4Å; L10-P63 HydrophobicContact CD2-CG 4.45Å; L10-W78 HydrophobicContact CD1-CZ3 4.18Å; L10-L102 HydrophobicContact CD1-CD2 3.78Å; L10-L102 HydrophobicContact CD1-CG 4.34Å; L10-V105 HydrophobicContact CB-CG2 4.49Å; L10-V105 HydrophobicContact CD1-CG2 4.1Å |
| 11 | G | 89.8 | Confident | 72.5 | Confident | 48 Ų | 48 | 90 Ų | 90 | 50% | 0.495 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 135.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L9 P60 T61 | L9-G11 PolarHBondContact O-N 3.47Å; G11-P60 CarbonylContact O-C 2.92Å; G11-T61 WeakPolarHBondContact O-CB 3.32Å; G11-T61 PolarHBondContact O-N 3.45Å; G11-T61 PolarHBondContact O-OG1 3.04Å |
| 12 | R | 92.6 | Very high | 75.5 | Confident | 84 Ų | 84 | 79 Ų | 79 | 32% | 0.317 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 156.1 | -175 | 78.2 | -169.4 | 90.4 | 162.3 | 7.9 | 112.2 | L10 V14 V58 Y59 E108 | L10-R12 PolarHBondContact O-N 2.91Å; R12-V14 HydrophobicContact CG-CG2 4.21Å; R12-V58 HydrophobicContact CB-CG1 4.4Å; R12-V58 HydrophobicContact CG-CG1 4.47Å; R12-Y59 WeakPolarHBondContact CA-O 3.16Å; R12-E108 IonicContact CZ-OE1 2.95Å; R12-E108 IonicContact CZ-OE2 3.18Å; R12-E108 IonicContact NH1-OE1 3.61Å; R12-E108 IonicContact NH1-OE2 2.77Å; R12-E108 PolarHBondContact NH1-OE2 2.87Å; R12-E108 IonicContact NH2-OE1 3.58Å; R12-E108 PolarHBondContact NH2-OE1 3.38Å; R12-E108 IonicContact NH2-OE2 2.75Å; R12-E108 PolarHBondContact NH2-OE2 2.76Å |
| 13 | C | 94.4 | Very high | 78.6 | Confident | 16 Ų | 16 | 74.2 Ų | 74.2 | 11% | 0.108 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 143.3 | 166.3 | -174.2 | 0 | 0 | 0 | 0 | 109 | R39 Y59 | C13-R39 WeakPolarHBondContact SG-CD 3.46Å; C13-R39 PolarHBondContact SG-NH1 3.2Å; C13-Y59 PolarHBondContact N-O 3.32Å; C13-Y59 PolarHBondContact O-N 3.28Å |
| 14 | V | 95.4 | Very high | 81.9 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 30% | 0.297 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.3 | -178.8 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | R12 R39 R56 V57 | R12-V14 HydrophobicContact CG-CG2 4.21Å; V14-R39 PolarHBondContact O-NH1 2.77Å; V14-R56 HydrophobicContact CG1-CG 3.52Å; V14-V57 WeakPolarHBondContact CA-O 3.23Å |
| 15 | A | 94.6 | Very high | 84.7 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 102.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | V57 Y59 | A15-V57 HydrophobicContact CB-CB 4.26Å; A15-V57 PolarHBondContact N-O 3.3Å; A15-V57 PolarHBondContact O-N 3.22Å; A15-Y59 HydrophobicContact CB-CE2 4.34Å |
| 16 | S | 94.1 | Very high | 87.6 | Confident | 86 Ų | 86 | 58 Ų | 58 | 60% | 0.601 | 34% | 0.339 | S | S | * | . | trans | -69.8 | 145 | 179.4 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 17 | P | 92.9 | Very high | 90.2 | Very high | 19 Ų | 19 | 52.3 Ų | 52.3 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | trans | -64.5 | 155 | 169.3 | 27.3 | -30.4 | 0 | 0 | 0 | 110.5 | H21 F52 P53 | P17-H21 HydrophobicContact CG-CB 3.83Å; P17-F52 VanDerWaalsContact CA-O 3.25Å; P17-F52 WeakPolarHBondContact CA-O 3.36Å; P17-P53 WeakPolarHBondContact CB-O 3.35Å | ||
| 18 | T | 87.9 | Confident | 92.3 | Very high | 132 Ų | 132 | 49.5 Ų | 49.5 | 81% | 0.81 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -79.9 | -22.4 | 176.6 | 55.1 | 0 | 0 | 0 | 0 | 113 | F52 P53 | T18-F52 PolarHBondContact N-O 3.34Å; T18-P53 PolarHBondContact N-O 3Å; T18-P53 WeakPolarHBondContact OG1-CA 3.41Å |
| 19 | G | 91.2 | Very high | 94.1 | Very high | 44 Ų | 44 | 40.2 Ų | 40.2 | 45% | 0.454 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -116 | -155.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | H21 P53 | G19-H21 PolarHBondContact O-N 2.86Å; G19-P53 VanDerWaalsContact CA-O 3.28Å; G19-P53 WeakPolarHBondContact CA-O 2.9Å; G19-P53 PolarHBondContact N-O 2.84Å |
| 20 | K | 93 | Very high | 95.2 | Very high | 168 Ų | 168 | 35 Ų | 35 | 73% | 0.73 | 21% | 0.213 | S | C | * | . | trans | -62.2 | 128.4 | -179.6 | -174.6 | -178.2 | 177.2 | -172.7 | 0 | 110.5 | S22 H54 | K20-S22 PolarHBondContact O-N 3.1Å; K20-H54 WeakPolarHBondContact O-CA 3.4Å; K20-H54 WeakPolarHBondContact O-CB 3.46Å | ||
| 21 | H | 96.7 | Very high | 95.6 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 17% | 0.167 | 23% | 0.227 | C | C | . | . | trans | -72.5 | 114 | 175.2 | 179.9 | -152.7 | 0 | 0 | 0 | 110.3 | P17 G19 A23 S24 R56 E109 V114 | P17-H21 HydrophobicContact CG-CB 3.83Å; G19-H21 PolarHBondContact O-N 2.86Å; H21-A23 PolarHBondContact CD2-O 3.03Å; H21-A23 PolarHBondContact NE2-O 3.24Å; H21-A23 VanDerWaalsContact NE2-O 3.07Å; H21-S24 PolarHBondContact NE2-OG 3.45Å; H21-R56 PolarHBondContact CE1-NE 2.96Å; H21-R56 VanDerWaalsContact CE1-NE 3.34Å; H21-R56 PolarHBondContact ND1-NE 2.97Å; H21-R56 PolarHBondContact ND1-NH2 3.48Å; H21-R56 VanDerWaalsContact NE2-CB 3.31Å; H21-R56 WeakPolarHBondContact NE2-CB 3.35Å; H21-E109 IonicContact CE1-OE2 3.33Å; H21-E109 PolarHBondContact CE1-OE2 3.19Å; H21-E109 VanDerWaalsContact CE1-OE2 3.31Å; H21-E109 IonicContact NE2-OE2 3.98Å; H21-V114 VanDerWaalsContact CE1-CG2 3.46Å; H21-V114 WeakPolarHBondContact CE1-CG2 3.39Å; H21-V114 WeakPolarHBondContact NE2-CG2 3.28Å | ||
| 22 | S | 97.6 | Very high | 96 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | trans | -133.2 | 0.3 | 178.4 | 67.6 | 0 | 0 | 0 | 0 | 114.4 | K20 H54 R118 D236 | K20-S22 PolarHBondContact O-N 3.1Å; S22-H54 PolarHBondContact N-O 2.91Å; S22-H54 PolarHBondContact OG-CD2 2.93Å; S22-H54 VanDerWaalsContact OG-CD2 3.32Å; S22-R118 PolarHBondContact O-NE 3.31Å; S22-R118 PolarHBondContact O-NH2 3.49Å; S22-R118 PolarHBondContact OG-NH2 3.16Å; S22-D236 WeakPolarHBondContact CB-OD2 3.18Å | ||
| 23 | A | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 159.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | H21 H54 I55 R56 R118 L233 | H21-A23 PolarHBondContact CD2-O 3.03Å; H21-A23 PolarHBondContact NE2-O 3.24Å; H21-A23 VanDerWaalsContact NE2-O 3.07Å; A23-H54 PolarHBondContact N-O 3.38Å; A23-I55 HydrophobicContact CB-CG1 4.06Å; A23-I55 HydrophobicContact CB-CG2 4.4Å; A23-I55 WeakPolarHBondContact O-CA 3.46Å; A23-R56 PolarHBondContact O-N 2.86Å; A23-R118 VanDerWaalsContact CA-O 3.29Å; A23-R118 WeakPolarHBondContact CA-O 3.24Å; A23-R118 HydrophobicContact CB-CB 4.39Å; A23-R118 WeakPolarHBondContact CB-O 3.42Å; A23-L233 HydrophobicContact CB-CB 4.12Å; A23-L233 HydrophobicContact CB-CD1 4.09Å; A23-L233 HydrophobicContact CB-CD2 4.13Å; A23-L233 HydrophobicContact CB-CG 4.34Å |
| 24 | S | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143.7 | -178.2 | -60 | 0 | 0 | 0 | 0 | 113 | H21 R56 E109 R118 M119 I120 | H21-S24 PolarHBondContact NE2-OG 3.45Å; S24-R56 CarbonylContact C-O 3.58Å; S24-R56 VanDerWaalsContact CA-O 3.26Å; S24-R56 WeakPolarHBondContact CA-O 3.32Å; S24-E109 WeakPolarHBondContact CB-OE2 3.34Å; S24-E109 PolarHBondContact OG-OE2 3.05Å; S24-R118 PolarHBondContact N-O 2.67Å; S24-M119 CarbonylContact O-C 3.55Å; S24-M119 WeakPolarHBondContact O-CA 3.19Å; S24-I120 PolarHBondContact O-N 3.01Å |
| 25 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.4 | 167.1 | 173.9 | 0 | 0 | 0 | 0 | 107.6 | I55 R56 V57 V58 I120 F146 I229 L233 | V25-I55 HydrophobicContact CB-CG2 4.44Å; V25-I55 HydrophobicContact CG2-CG2 3.71Å; V25-R56 PolarHBondContact N-O 3.2Å; V25-V57 HydrophobicContact CB-CB 4.47Å; V25-V57 HydrophobicContact CB-CG1 4.03Å; V25-V57 HydrophobicContact CB-CG2 4.17Å; V25-V57 HydrophobicContact CG1-CG1 4.02Å; V25-V57 CarbonylContact O-C 3.58Å; V25-V57 WeakPolarHBondContact O-CA 3.23Å; V25-V58 PolarHBondContact O-N 2.9Å; V25-I120 CarbonylContact C-O 3.56Å; V25-I120 WeakPolarHBondContact CA-O 3.47Å; V25-I120 HydrophobicContact CG2-CB 4.21Å; V25-F146 HydrophobicContact CG1-CE1 3.9Å; V25-F146 HydrophobicContact CG1-CZ 4.42Å; V25-I229 HydrophobicContact CG2-CD1 4.3Å; V25-I229 HydrophobicContact CG2-CG2 3.99Å; V25-L233 HydrophobicContact CG2-CD1 4.02Å |
| 26 | I | 98.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 109.1 | 173.3 | -57.8 | 170.9 | 0 | 0 | 0 | 107.1 | L28 V58 P60 V105 I106 I120 I121 G122 | I26-L28 HydrophobicContact CG2-CD2 3.91Å; I26-V58 WeakPolarHBondContact CA-O 3.25Å; I26-P60 HydrophobicContact CG2-CG 4.26Å; I26-V105 HydrophobicContact CD1-CG1 4.41Å; I26-I106 HydrophobicContact CD1-CG1 3.64Å; I26-I120 PolarHBondContact N-O 3.19Å; I26-I121 HydrophobicContact CD1-CG1 4.45Å; I26-G122 PolarHBondContact O-N 3.24Å; I26-G122 VanDerWaalsContact O-O 3.13Å |
| 27 | F | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 111.3 | -176.1 | -164.2 | -44.4 | 0 | 0 | 0 | 110.3 | V38 V42 L50 V57 V58 Y59 G122 F124 F146 L148 L225 | F27-V38 HydrophobicContact CD1-CG2 4.14Å; F27-V38 HydrophobicContact CE1-CG2 3.68Å; F27-V38 HydrophobicContact CZ-CG2 4.24Å; F27-V42 HydrophobicContact CE2-CG2 4.24Å; F27-V42 HydrophobicContact CZ-CG2 4.42Å; F27-L50 HydrophobicContact CD2-CD1 3.74Å; F27-L50 HydrophobicContact CE2-CD1 3.7Å; F27-V57 HydrophobicContact CB-CG1 4.28Å; F27-V58 PolarHBondContact N-O 3.37Å; F27-Y59 HydrophobicContact CB-CD1 3.62Å; F27-Y59 HydrophobicContact CB-CE1 3.58Å; F27-Y59 HydrophobicContact CD1-CD1 4.43Å; F27-Y59 HydrophobicContact CD1-CE1 4.35Å; F27-Y59 AromaticContact CD2-CE1 3.87Å; F27-Y59 HydrophobicContact CD2-CE1 3.87Å; F27-Y59 HydrophobicContact CG-CD1 4Å; F27-Y59 AromaticContact CG-CE1 3.68Å; F27-Y59 HydrophobicContact CG-CE1 3.68Å; F27-G122 CarbonylContact C-O 3.55Å; F27-G122 WeakPolarHBondContact CA-O 3.44Å; F27-F124 HydrophobicContact CE1-CB 4.24Å; F27-F146 HydrophobicContact CB-CZ 4.3Å; F27-F146 HydrophobicContact CD1-CE2 4.49Å; F27-F146 HydrophobicContact CD1-CZ 4.39Å; F27-F146 AromaticContact CD2-CE2 3.95Å; F27-F146 HydrophobicContact CD2-CE2 3.95Å; F27-F146 AromaticContact CD2-CZ 3.51Å; F27-F146 HydrophobicContact CD2-CZ 3.51Å; F27-F146 HydrophobicContact CE1-CE2 4.31Å; F27-F146 AromaticContact CE2-CE2 3.75Å; F27-F146 HydrophobicContact CE2-CE2 3.75Å; F27-F146 AromaticContact CE2-CZ 3.8Å; F27-F146 HydrophobicContact CE2-CZ 3.8Å; F27-F146 HydrophobicContact CG-CE2 4.31Å; F27-F146 AromaticContact CG-CZ 3.82Å; F27-F146 HydrophobicContact CG-CZ 3.82Å; F27-F146 AromaticContact CZ-CE2 3.93Å; F27-F146 HydrophobicContact CZ-CE2 3.93Å; F27-F146 HydrophobicContact CZ-CZ 4.34Å; F27-L148 HydrophobicContact CZ-CD1 4.06Å; F27-L225 HydrophobicContact CE2-CD2 4.43Å |
| 28 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.9 | -179.9 | -50.8 | -175.2 | 0 | 0 | 0 | 111.1 | I26 P60 W78 L102 G122 G123 F124 M130 A131 | I26-L28 HydrophobicContact CG2-CD2 3.91Å; L28-P60 HydrophobicContact CD2-CG 3.46Å; L28-P60 VanDerWaalsContact CD2-CG 3.46Å; L28-W78 HydrophobicContact CB-CZ2 3.94Å; L28-W78 HydrophobicContact CD2-CH2 4Å; L28-W78 HydrophobicContact CD2-CZ2 3.96Å; L28-W78 HydrophobicContact CG-CZ2 4.49Å; L28-L102 HydrophobicContact CD1-CD1 3.87Å; L28-L102 HydrophobicContact CD2-CD1 4.33Å; L28-L102 HydrophobicContact CD2-CD2 3.78Å; L28-G122 PolarHBondContact N-O 2.9Å; L28-G123 CarbonylContact O-C 3.52Å; L28-G123 WeakPolarHBondContact O-CA 3.41Å; L28-F124 PolarHBondContact O-N 3.3Å; L28-M130 HydrophobicContact CD1-CB 3.9Å; L28-M130 HydrophobicContact CD1-CG 3.9Å; L28-A131 HydrophobicContact CD1-CB 4.26Å |
| 29 | H | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -76.1 | 168.1 | -179.3 | 66.9 | 79.9 | 0 | 0 | 0 | 113.2 | D33 T34 G35 V38 P60 A62 W78 G127 | H29-D33 HydrophobicContact CB-CB 4.1Å; H29-D33 VanDerWaalsContact CE1-C 3.5Å; H29-D33 PolarHBondContact CE1-O 3.23Å; H29-D33 PolarHBondContact ND1-O 3.37Å; H29-T34 VanDerWaalsContact CD2-C 3.42Å; H29-G35 PolarHBondContact CD2-N 3.46Å; H29-V38 HydrophobicContact CB-CB 3.83Å; H29-V38 HydrophobicContact CB-CG1 3.75Å; H29-V38 HydrophobicContact CB-CG2 4.49Å; H29-P60 PolarHBondContact CD2-O 2.99Å; H29-P60 VanDerWaalsContact CD2-O 3.31Å; H29-A62 PolarHBondContact NE2-N 2.94Å; H29-W78 AromaticContact CD2-CZ2 3.54Å; H29-W78 AromaticContact NE2-CZ2 3.6Å; H29-W78 PolarHBondContact O-NE1 3.47Å; H29-G127 WeakPolarHBondContact O-CA 3.36Å; H29-G127 PolarHBondContact O-N 2.97Å |
| 30 | G | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 35.3 Ų | 35.3 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -77.4 | 171.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G32 D33 F124 | G30-G32 PolarHBondContact O-N 2.85Å; G30-D33 PolarHBondContact O-N 3.18Å; G30-F124 WeakPolarHBondContact CA-O 3.46Å; G30-F124 PolarHBondContact N-O 3.18Å |
| 31 | S | 98 | Very high | 98.3 | Very high | 57 Ų | 57 | 30.4 Ų | 30.4 | 40% | 0.399 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 131.3 | 180 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | D33 | S31-D33 VanDerWaalsContact C-N 3.29Å; S31-D33 PolarHBondContact O-N 2.84Å |
| 32 | G | 97.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 28.7 Ų | 28.7 | 47% | 0.474 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -8.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G30 S75 N76 | G30-G32 PolarHBondContact O-N 2.85Å; G32-S75 VanDerWaalsContact CA-OG 3.32Å; G32-S75 WeakPolarHBondContact CA-OG 3.47Å; G32-N76 PolarHBondContact N-O 2.83Å |
| 33 | D | 98.3 | Very high | 98.2 | Very high | 42 Ų | 42 | 32.3 Ų | 32.3 | 23% | 0.225 | 18% | 0.176 | C | C | . | . | trans | -90.5 | -169.5 | 178.4 | -165.9 | 9.1 | 0 | 0 | 0 | 111.9 | H29 G30 S31 G37 V38 N76 | H29-D33 HydrophobicContact CB-CB 4.1Å; H29-D33 VanDerWaalsContact CE1-C 3.5Å; H29-D33 PolarHBondContact CE1-O 3.23Å; H29-D33 PolarHBondContact ND1-O 3.37Å; G30-D33 PolarHBondContact O-N 3.18Å; S31-D33 VanDerWaalsContact C-N 3.29Å; S31-D33 PolarHBondContact O-N 2.84Å; D33-G37 WeakPolarHBondContact OD1-CA 3.33Å; D33-V38 WeakPolarHBondContact OD2-CB 3.45Å; D33-V38 PolarHBondContact OD2-N 3.26Å; D33-V38 VanDerWaalsContact OD2-N 3.09Å; D33-N76 WeakPolarHBondContact O-CB 3.36Å; D33-N76 PolarHBondContact O-ND2 3.02Å | ||
| 34 | T | 98.7 | Very high | 98.1 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 28% | 0.282 | 21% | 0.212 | S | C | . | . | trans | -138.6 | 165.2 | 174.5 | 64.3 | 0 | 0 | 0 | 0 | 110.3 | H29 R36 G37 V38 T61 | H29-T34 VanDerWaalsContact CD2-C 3.42Å; T34-R36 PolarHBondContact O-N 2.71Å; T34-G37 PolarHBondContact O-N 2.93Å; T34-G37 VanDerWaalsContact O-N 3.11Å; T34-G37 PolarHBondContact OG1-N 3.3Å; T34-V38 PolarHBondContact O-N 3.47Å; T34-T61 HydrophobicContact CG2-CG2 3.95Å | ||
| 35 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -31.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H29 R39 Y59 P60 T61 | H29-G35 PolarHBondContact CD2-N 3.46Å; G35-R39 WeakPolarHBondContact O-CB 3.29Å; G35-R39 PolarHBondContact O-N 3.38Å; G35-Y59 WeakPolarHBondContact CA-O 3.35Å; G35-Y59 WeakPolarHBondContact O-CB 3.43Å; G35-P60 WeakPolarHBondContact CA-O 3.45Å; G35-T61 PolarHBondContact N-OG1 3.42Å |
| 36 | R | 98.1 | Very high | 97.6 | Very high | 182 Ų | 182 | 41.6 Ų | 41.6 | 69% | 0.687 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -71.2 | -39.9 | 173.7 | -176.8 | -177.4 | -68.9 | -94.2 | 1.9 | 111.5 | T34 R39 A40 | T34-R36 PolarHBondContact O-N 2.71Å; R36-R39 PolarHBondContact O-N 2.93Å; R36-A40 WeakPolarHBondContact O-CB 3.42Å; R36-A40 PolarHBondContact O-N 2.98Å |
| 37 | G | 98.3 | Very high | 97 | Very high | 22 Ų | 22 | 47 Ų | 47 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -56.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D33 T34 R39 A40 W41 | D33-G37 WeakPolarHBondContact OD1-CA 3.33Å; T34-G37 PolarHBondContact O-N 2.93Å; T34-G37 VanDerWaalsContact O-N 3.11Å; T34-G37 PolarHBondContact OG1-N 3.3Å; G37-R39 VanDerWaalsContact C-N 3.26Å; G37-R39 PolarHBondContact O-N 3.38Å; G37-A40 WeakPolarHBondContact O-CB 3.33Å; G37-A40 PolarHBondContact O-N 2.86Å; G37-W41 PolarHBondContact O-N 3.3Å |
| 38 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.3 | -35.3 | 177.7 | 73.2 | 0 | 0 | 0 | 0 | 112.5 | F27 H29 D33 T34 W41 V42 Y59 | F27-V38 HydrophobicContact CD1-CG2 4.14Å; F27-V38 HydrophobicContact CE1-CG2 3.68Å; F27-V38 HydrophobicContact CZ-CG2 4.24Å; H29-V38 HydrophobicContact CB-CB 3.83Å; H29-V38 HydrophobicContact CB-CG1 3.75Å; H29-V38 HydrophobicContact CB-CG2 4.49Å; D33-V38 WeakPolarHBondContact OD2-CB 3.45Å; D33-V38 PolarHBondContact OD2-N 3.26Å; D33-V38 VanDerWaalsContact OD2-N 3.09Å; T34-V38 PolarHBondContact O-N 3.47Å; V38-W41 HydrophobicContact CG2-CE3 4.5Å; V38-W41 PolarHBondContact O-N 3.02Å; V38-V42 WeakPolarHBondContact O-CG2 3.23Å; V38-V42 PolarHBondContact O-N 3.17Å; V38-Y59 HydrophobicContact CG1-CD1 3.6Å; V38-Y59 HydrophobicContact CG1-CE1 4.25Å; V38-Y59 HydrophobicContact CG1-CG 4.47Å |
| 39 | R | 97.8 | Very high | 95.9 | Very high | 63 Ų | 63 | 51.8 Ų | 51.8 | 24% | 0.238 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.3 | -179 | -174.1 | 179.8 | -157.1 | 4.3 | 111.6 | C13 V14 G35 R36 G37 W41 K43 Y59 | C13-R39 WeakPolarHBondContact SG-CD 3.46Å; C13-R39 PolarHBondContact SG-NH1 3.2Å; V14-R39 PolarHBondContact O-NH1 2.77Å; G35-R39 WeakPolarHBondContact O-CB 3.29Å; G35-R39 PolarHBondContact O-N 3.38Å; R36-R39 PolarHBondContact O-N 2.93Å; G37-R39 VanDerWaalsContact C-N 3.26Å; G37-R39 PolarHBondContact O-N 3.38Å; R39-W41 VanDerWaalsContact C-N 3.35Å; R39-K43 WeakPolarHBondContact O-CG 3.42Å; R39-K43 PolarHBondContact O-N 3.3Å; R39-Y59 HydrophobicContact CB-CD1 4.19Å; R39-Y59 HydrophobicContact CB-CD2 3.95Å; R39-Y59 HydrophobicContact CB-CE1 4.26Å; R39-Y59 HydrophobicContact CB-CE2 4.03Å; R39-Y59 HydrophobicContact CB-CG 4.02Å; R39-Y59 HydrophobicContact CG-CD2 4.05Å; R39-Y59 HydrophobicContact CG-CE2 3.81Å |
| 40 | A | 97.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 51.9 Ų | 51.9 | 45% | 0.446 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | R36 G37 K43 E44 | R36-A40 WeakPolarHBondContact O-CB 3.42Å; R36-A40 PolarHBondContact O-N 2.98Å; G37-A40 WeakPolarHBondContact O-CB 3.33Å; G37-A40 PolarHBondContact O-N 2.86Å; A40-K43 WeakPolarHBondContact O-CB 3.48Å; A40-K43 PolarHBondContact O-N 3.24Å; A40-K43 VanDerWaalsContact O-N 3.16Å; A40-E44 PolarHBondContact O-N 3.04Å |
| 41 | W | 98 | Very high | 95.4 | Very high | 65 Ų | 65 | 53.6 Ų | 53.6 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 178.2 | -172.4 | 24.1 | 0 | 0 | 0 | 112.8 | G37 V38 R39 K43 E44 V45 F124 Q216 L217 | G37-W41 PolarHBondContact O-N 3.3Å; V38-W41 HydrophobicContact CG2-CE3 4.5Å; V38-W41 PolarHBondContact O-N 3.02Å; R39-W41 VanDerWaalsContact C-N 3.35Å; W41-K43 VanDerWaalsContact C-N 3.26Å; W41-K43 PolarHBondContact O-N 3.12Å; W41-E44 PolarHBondContact O-N 2.94Å; W41-V45 WeakPolarHBondContact O-CB 3.43Å; W41-V45 WeakPolarHBondContact O-CG2 3.47Å; W41-V45 PolarHBondContact O-N 2.95Å; W41-F124 HydrophobicContact CH2-CD1 4.27Å; W41-F124 HydrophobicContact CH2-CD2 4.47Å; W41-F124 AromaticContact CH2-CE1 3.77Å; W41-F124 HydrophobicContact CH2-CE1 3.77Å; W41-F124 AromaticContact CH2-CE2 3.98Å; W41-F124 HydrophobicContact CH2-CE2 3.98Å; W41-F124 AromaticContact CH2-CZ 3.61Å; W41-F124 HydrophobicContact CH2-CZ 3.61Å; W41-F124 AromaticContact CZ3-CD1 3.78Å; W41-F124 HydrophobicContact CZ3-CD1 3.78Å; W41-F124 HydrophobicContact CZ3-CD2 4.36Å; W41-F124 AromaticContact CZ3-CE1 3.71Å; W41-F124 HydrophobicContact CZ3-CE1 3.71Å; W41-F124 HydrophobicContact CZ3-CE2 4.29Å; W41-F124 HydrophobicContact CZ3-CG 4.12Å; W41-F124 AromaticContact CZ3-CZ 3.99Å; W41-F124 HydrophobicContact CZ3-CZ 3.99Å; W41-Q216 HydrophobicContact CH2-CB 4.43Å; W41-Q216 HydrophobicContact CZ2-CB 3.82Å; W41-L217 HydrophobicContact CD2-CB 4.3Å; W41-L217 HydrophobicContact CD2-CD1 3.62Å; W41-L217 HydrophobicContact CD2-CG 3.92Å; W41-L217 HydrophobicContact CE3-CD1 3.55Å; W41-L217 HydrophobicContact CE3-CG 3.85Å; W41-L217 HydrophobicContact CG-CD1 4.12Å; W41-L217 HydrophobicContact CH2-CB 4.4Å; W41-L217 HydrophobicContact CH2-CD1 4.47Å; W41-L217 HydrophobicContact CH2-CG 3.84Å; W41-L217 HydrophobicContact CZ2-CB 3.99Å; W41-L217 HydrophobicContact CZ2-CG 3.92Å; W41-L217 HydrophobicContact CZ3-CD1 3.99Å; W41-L217 HydrophobicContact CZ3-CG 3.79Å |
| 42 | V | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.7 | -39.6 | 173.8 | 166.9 | 0 | 0 | 0 | 0 | 111.7 | F27 V38 S46 D49 L50 L217 I222 | F27-V42 HydrophobicContact CE2-CG2 4.24Å; F27-V42 HydrophobicContact CZ-CG2 4.42Å; V38-V42 WeakPolarHBondContact O-CG2 3.23Å; V38-V42 PolarHBondContact O-N 3.17Å; V42-S46 PolarHBondContact O-N 3.36Å; V42-D49 HydrophobicContact CG1-CB 4.46Å; V42-L50 HydrophobicContact CG1-CB 4.14Å; V42-L50 HydrophobicContact CG1-CD1 3.98Å; V42-L50 HydrophobicContact CG1-CG 3.74Å; V42-L50 HydrophobicContact CG2-CD1 4.5Å; V42-L217 HydrophobicContact CG2-CD1 3.83Å; V42-I222 HydrophobicContact CG1-CG2 4.31Å; V42-I222 HydrophobicContact CG2-CD1 4.4Å |
| 43 | K | 95.9 | Very high | 95.2 | Very high | 94 Ų | 94 | 52.5 Ų | 52.5 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.3 | -34.9 | 177.8 | -75.6 | -178.6 | 171 | -158.2 | 0 | 113.5 | R39 A40 W41 D49 | R39-K43 WeakPolarHBondContact O-CG 3.42Å; R39-K43 PolarHBondContact O-N 3.3Å; A40-K43 WeakPolarHBondContact O-CB 3.48Å; A40-K43 PolarHBondContact O-N 3.24Å; A40-K43 VanDerWaalsContact O-N 3.16Å; W41-K43 VanDerWaalsContact C-N 3.26Å; W41-K43 PolarHBondContact O-N 3.12Å; K43-D49 VanDerWaalsContact CE-OD2 3.3Å; K43-D49 WeakPolarHBondContact CE-OD2 3.42Å; K43-D49 HydrophobicContact CG-CB 4.06Å; K43-D49 VanDerWaalsContact CG-OD2 3.3Å; K43-D49 WeakPolarHBondContact CG-OD2 3.36Å |
| 44 | E | 96.6 | Very high | 95.1 | Very high | 163 Ų | 163 | 51.1 Ų | 51.1 | 76% | 0.762 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70 | -40.7 | 177.8 | -177.4 | 179.3 | 179.5 | 0 | 0 | 111.1 | A40 W41 | A40-E44 PolarHBondContact O-N 3.04Å; W41-E44 PolarHBondContact O-N 2.94Å |
| 45 | V | 94.4 | Very high | 95.1 | Very high | 30 Ų | 30 | 49 Ų | 49 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -80.2 | -28.4 | -173 | 170.3 | 0 | 0 | 0 | 0 | 113 | W41 L217 S218 R219 I222 | W41-V45 WeakPolarHBondContact O-CB 3.43Å; W41-V45 WeakPolarHBondContact O-CG2 3.47Å; W41-V45 PolarHBondContact O-N 2.95Å; V45-L217 HydrophobicContact CG1-CB 4.26Å; V45-L217 HydrophobicContact CG2-CB 4.31Å; V45-S218 VanDerWaalsContact CG1-CA 3.43Å; V45-R219 VanDerWaalsContact O-CB 3.25Å; V45-R219 WeakPolarHBondContact O-CB 3.47Å; V45-I222 HydrophobicContact CG1-CG1 4.4Å |
| 46 | S | 91.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | trans | -143.5 | 140.9 | -175.3 | -164.6 | 0 | 0 | 0 | 0 | 114.5 | V42 P48 D49 | V42-S46 PolarHBondContact O-N 3.36Å; S46-P48 PolarHBondContact OG-O 3Å; S46-D49 PolarHBondContact O-N 3.31Å | ||
| 47 | V | 86.7 | Confident | 95.1 | Very high | 114 Ų | 114 | 43.3 Ų | 43.3 | 69% | 0.691 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -134 | 112.8 | 167.5 | -177.3 | 0 | 0 | 0 | 0 | 107.3 | ||
| 48 | P | 85.4 | Confident | 95.1 | Very high | 66 Ų | 66 | 42.2 Ų | 42.2 | 43% | 0.429 | 23% | 0.227 | S | C | . | . | S | Bend | cis | -72.2 | 142.1 | 7.6 | 30.5 | -35 | 0 | 0 | 0 | 113.5 | S46 | S46-P48 PolarHBondContact OG-O 3Š|
| 49 | D | 88.7 | Confident | 95.1 | Very high | 36 Ų | 36 | 42.4 Ų | 42.4 | 19% | 0.193 | 23% | 0.228 | C | C | . | . | trans | -76.1 | -161.4 | 175.1 | 74.8 | -13.8 | 0 | 0 | 0 | 111.2 | V42 K43 S46 A51 R226 | V42-D49 HydrophobicContact CG1-CB 4.46Å; K43-D49 VanDerWaalsContact CE-OD2 3.3Å; K43-D49 WeakPolarHBondContact CE-OD2 3.42Å; K43-D49 HydrophobicContact CG-CB 4.06Å; K43-D49 VanDerWaalsContact CG-OD2 3.3Å; K43-D49 WeakPolarHBondContact CG-OD2 3.36Å; S46-D49 PolarHBondContact O-N 3.31Å; D49-A51 VanDerWaalsContact C-N 3.29Å; D49-A51 PolarHBondContact O-N 3.45Å; D49-A51 WeakPolarHBondContact OD1-CB 3.47Å; D49-A51 PolarHBondContact OD1-N 3.41Å; D49-R226 PolarHBondContact O-NH1 2.94Å | ||
| 50 | L | 94.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -90.1 | 48.4 | 172.3 | -62.5 | 179.7 | 0 | 0 | 0 | 112.7 | F27 V42 F52 V57 I222 R226 I229 | F27-L50 HydrophobicContact CD2-CD1 3.74Å; F27-L50 HydrophobicContact CE2-CD1 3.7Å; V42-L50 HydrophobicContact CG1-CB 4.14Å; V42-L50 HydrophobicContact CG1-CD1 3.98Å; V42-L50 HydrophobicContact CG1-CG 3.74Å; V42-L50 HydrophobicContact CG2-CD1 4.5Å; L50-F52 HydrophobicContact CB-CE2 4.01Å; L50-F52 HydrophobicContact CB-CZ 4.45Å; L50-F52 HydrophobicContact CD2-CE2 4.24Å; L50-F52 HydrophobicContact CD2-CZ 3.87Å; L50-V57 HydrophobicContact CB-CG2 4.45Å; L50-V57 WeakPolarHBondContact O-CG2 3.44Å; L50-I222 HydrophobicContact CD2-CG2 4.36Å; L50-I222 HydrophobicContact CG-CG2 4.4Å; L50-R226 HydrophobicContact CD2-CB 4.01Å; L50-R226 HydrophobicContact CD2-CG 4.41Å; L50-I229 HydrophobicContact CD2-CD1 4.19Å |
| 51 | A | 93.4 | Very high | 95.2 | Very high | 42 Ų | 42 | 38.4 Ų | 38.4 | 35% | 0.347 | 21% | 0.205 | S | C | . | . | trans | -104.2 | 136.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D49 R226 | D49-A51 VanDerWaalsContact C-N 3.29Å; D49-A51 PolarHBondContact O-N 3.45Å; D49-A51 WeakPolarHBondContact OD1-CB 3.47Å; D49-A51 PolarHBondContact OD1-N 3.41Å; A51-R226 PolarHBondContact O-NH1 3.14Å; A51-R226 PolarHBondContact O-NH2 3.3Å; A51-R226 VanDerWaalsContact O-NH2 3.13Å | ||
| 52 | F | 95.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | trans | -135.7 | 155.5 | -170.4 | -58.8 | -82 | 0 | 0 | 0 | 111.8 | P17 T18 L50 H54 I55 V57 R226 I229 L230 | P17-F52 VanDerWaalsContact CA-O 3.25Å; P17-F52 WeakPolarHBondContact CA-O 3.36Å; T18-F52 PolarHBondContact N-O 3.34Å; L50-F52 HydrophobicContact CB-CE2 4.01Å; L50-F52 HydrophobicContact CB-CZ 4.45Å; L50-F52 HydrophobicContact CD2-CE2 4.24Å; L50-F52 HydrophobicContact CD2-CZ 3.87Å; F52-H54 PolarHBondContact O-N 3.01Å; F52-I55 HydrophobicContact CB-CB 3.63Å; F52-I55 HydrophobicContact CB-CD1 4.15Å; F52-I55 HydrophobicContact CB-CG1 4Å; F52-I55 HydrophobicContact CD1-CD1 4.01Å; F52-I55 HydrophobicContact CD2-CB 3.88Å; F52-I55 HydrophobicContact CD2-CD1 4.31Å; F52-I55 HydrophobicContact CD2-CG2 4.23Å; F52-I55 HydrophobicContact CE1-CD1 4.46Å; F52-I55 HydrophobicContact CG-CB 3.89Å; F52-I55 HydrophobicContact CG-CD1 3.91Å; F52-I55 HydrophobicContact CG-CG1 4.24Å; F52-V57 HydrophobicContact CD2-CG2 3.88Å; F52-V57 HydrophobicContact CE2-CG2 3.87Å; F52-R226 HydrophobicContact CE1-CG 3.68Å; F52-R226 VanDerWaalsContact CE1-NH1 3.33Å; F52-R226 HydrophobicContact CZ-CG 3.98Å; F52-I229 HydrophobicContact CE1-CG2 4.17Å; F52-I229 HydrophobicContact CE2-CG2 4.33Å; F52-I229 HydrophobicContact CZ-CB 4.37Å; F52-I229 HydrophobicContact CZ-CD1 4.29Å; F52-I229 HydrophobicContact CZ-CG2 3.83Å; F52-L230 HydrophobicContact CD1-CD2 3.75Å; F52-L230 HydrophobicContact CD1-CG 4.26Å; F52-L230 HydrophobicContact CE1-CD1 4.49Å; F52-L230 HydrophobicContact CE1-CD2 4Å; F52-L230 HydrophobicContact CE1-CG 4Å | ||
| 53 | P | 95.3 | Very high | 95.2 | Very high | 75 Ų | 75 | 38.2 Ų | 38.2 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -63.4 | -37.6 | 178.3 | -25.7 | 36 | 0 | 0 | 0 | 114.7 | P17 T18 G19 | P17-P53 WeakPolarHBondContact CB-O 3.35Å; T18-P53 PolarHBondContact N-O 3Å; T18-P53 WeakPolarHBondContact OG1-CA 3.41Å; G19-P53 VanDerWaalsContact CA-O 3.28Å; G19-P53 WeakPolarHBondContact CA-O 2.9Å; G19-P53 PolarHBondContact N-O 2.84Å |
| 54 | H | 97.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 6% | 0.06 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -127.5 | -5.3 | -174.5 | 66.3 | -64.2 | 0 | 0 | 0 | 114.5 | K20 S22 A23 F52 L233 | K20-H54 WeakPolarHBondContact O-CA 3.4Å; K20-H54 WeakPolarHBondContact O-CB 3.46Å; S22-H54 PolarHBondContact N-O 2.91Å; S22-H54 PolarHBondContact OG-CD2 2.93Å; S22-H54 VanDerWaalsContact OG-CD2 3.32Å; A23-H54 PolarHBondContact N-O 3.38Å; F52-H54 PolarHBondContact O-N 3.01Å; H54-L233 PolarHBondContact CE1-O 3.07Å; H54-L233 VanDerWaalsContact CE1-O 3.27Å; H54-L233 PolarHBondContact NE2-O 2.95Å |
| 55 | I | 98.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.1 | -178 | -47.7 | 170 | 0 | 0 | 0 | 109.6 | A23 V25 F52 I229 L230 L233 | A23-I55 HydrophobicContact CB-CG1 4.06Å; A23-I55 HydrophobicContact CB-CG2 4.4Å; A23-I55 WeakPolarHBondContact O-CA 3.46Å; V25-I55 HydrophobicContact CB-CG2 4.44Å; V25-I55 HydrophobicContact CG2-CG2 3.71Å; F52-I55 HydrophobicContact CB-CB 3.63Å; F52-I55 HydrophobicContact CB-CD1 4.15Å; F52-I55 HydrophobicContact CB-CG1 4Å; F52-I55 HydrophobicContact CD1-CD1 4.01Å; F52-I55 HydrophobicContact CD2-CB 3.88Å; F52-I55 HydrophobicContact CD2-CD1 4.31Å; F52-I55 HydrophobicContact CD2-CG2 4.23Å; F52-I55 HydrophobicContact CE1-CD1 4.46Å; F52-I55 HydrophobicContact CG-CB 3.89Å; F52-I55 HydrophobicContact CG-CD1 3.91Å; F52-I55 HydrophobicContact CG-CG1 4.24Å; I55-I229 HydrophobicContact CD1-CG2 3.79Å; I55-L230 HydrophobicContact CD1-CD2 4.31Å; I55-L233 HydrophobicContact CD1-CB 3.78Å; I55-L233 HydrophobicContact CD1-CD1 4.19Å; I55-L233 HydrophobicContact CG1-CB 4.28Å; I55-L233 HydrophobicContact CG2-CD1 4.07Å |
| 56 | R | 98.1 | Very high | 95.5 | Very high | 63 Ų | 63 | 34.2 Ų | 34.2 | 24% | 0.238 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 133.6 | 168.1 | -179 | -172.8 | -70.3 | 174.7 | -0.2 | 109.5 | V14 H21 A23 S24 V25 V58 E109 | V14-R56 HydrophobicContact CG1-CG 3.52Å; H21-R56 PolarHBondContact CE1-NE 2.96Å; H21-R56 VanDerWaalsContact CE1-NE 3.34Å; H21-R56 PolarHBondContact ND1-NE 2.97Å; H21-R56 PolarHBondContact ND1-NH2 3.48Å; H21-R56 VanDerWaalsContact NE2-CB 3.31Å; H21-R56 WeakPolarHBondContact NE2-CB 3.35Å; A23-R56 PolarHBondContact O-N 2.86Å; S24-R56 CarbonylContact C-O 3.58Å; S24-R56 VanDerWaalsContact CA-O 3.26Å; S24-R56 WeakPolarHBondContact CA-O 3.32Å; V25-R56 PolarHBondContact N-O 3.2Å; R56-V58 HydrophobicContact CG-CG2 4.04Å; R56-E109 IonicContact NH1-OE1 2.94Å; R56-E109 PolarHBondContact NH1-OE1 3.36Å; R56-E109 IonicContact NH1-OE2 3.94Å |
| 57 | V | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.3 | 169.7 | -165.7 | 0 | 0 | 0 | 0 | 110.3 | V14 A15 V25 F27 L50 F52 Y59 | V14-V57 WeakPolarHBondContact CA-O 3.23Å; A15-V57 HydrophobicContact CB-CB 4.26Å; A15-V57 PolarHBondContact N-O 3.3Å; A15-V57 PolarHBondContact O-N 3.22Å; V25-V57 HydrophobicContact CB-CB 4.47Å; V25-V57 HydrophobicContact CB-CG1 4.03Å; V25-V57 HydrophobicContact CB-CG2 4.17Å; V25-V57 HydrophobicContact CG1-CG1 4.02Å; V25-V57 CarbonylContact O-C 3.58Å; V25-V57 WeakPolarHBondContact O-CA 3.23Å; F27-V57 HydrophobicContact CB-CG1 4.28Å; L50-V57 HydrophobicContact CB-CG2 4.45Å; L50-V57 WeakPolarHBondContact O-CG2 3.44Å; F52-V57 HydrophobicContact CD2-CG2 3.88Å; F52-V57 HydrophobicContact CE2-CG2 3.87Å; V57-Y59 HydrophobicContact CB-CE2 3.74Å; V57-Y59 HydrophobicContact CG1-CD2 4.09Å; V57-Y59 HydrophobicContact CG1-CE1 4.04Å; V57-Y59 HydrophobicContact CG1-CE2 3.38Å; V57-Y59 WeakPolarHBondContact CG1-OH 3.4Å |
| 58 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.2 | 179.8 | -175 | 0 | 0 | 0 | 0 | 108.7 | R12 V25 I26 F27 R56 P60 V105 | R12-V58 HydrophobicContact CB-CG1 4.4Å; R12-V58 HydrophobicContact CG-CG1 4.47Å; V25-V58 PolarHBondContact O-N 2.9Å; I26-V58 WeakPolarHBondContact CA-O 3.25Å; F27-V58 PolarHBondContact N-O 3.37Å; R56-V58 HydrophobicContact CG-CG2 4.04Å; V58-P60 VanDerWaalsContact O-CD 3.27Å; V58-P60 WeakPolarHBondContact O-CD 3.35Å; V58-V105 HydrophobicContact CG1-CG1 4.18Å |
| 59 | Y | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 86.7 | 177.4 | -59.2 | -91.1 | 0 | 0 | 0 | 109 | R12 C13 A15 F27 G35 V38 R39 V57 | R12-Y59 WeakPolarHBondContact CA-O 3.16Å; C13-Y59 PolarHBondContact N-O 3.32Å; C13-Y59 PolarHBondContact O-N 3.28Å; A15-Y59 HydrophobicContact CB-CE2 4.34Å; F27-Y59 HydrophobicContact CB-CD1 3.62Å; F27-Y59 HydrophobicContact CB-CE1 3.58Å; F27-Y59 HydrophobicContact CD1-CD1 4.43Å; F27-Y59 HydrophobicContact CD1-CE1 4.35Å; F27-Y59 AromaticContact CD2-CE1 3.87Å; F27-Y59 HydrophobicContact CD2-CE1 3.87Å; F27-Y59 HydrophobicContact CG-CD1 4Å; F27-Y59 AromaticContact CG-CE1 3.68Å; F27-Y59 HydrophobicContact CG-CE1 3.68Å; G35-Y59 WeakPolarHBondContact CA-O 3.35Å; G35-Y59 WeakPolarHBondContact O-CB 3.43Å; V38-Y59 HydrophobicContact CG1-CD1 3.6Å; V38-Y59 HydrophobicContact CG1-CE1 4.25Å; V38-Y59 HydrophobicContact CG1-CG 4.47Å; R39-Y59 HydrophobicContact CB-CD1 4.19Å; R39-Y59 HydrophobicContact CB-CD2 3.95Å; R39-Y59 HydrophobicContact CB-CE1 4.26Å; R39-Y59 HydrophobicContact CB-CE2 4.03Å; R39-Y59 HydrophobicContact CB-CG 4.02Å; R39-Y59 HydrophobicContact CG-CD2 4.05Å; R39-Y59 HydrophobicContact CG-CE2 3.81Å; V57-Y59 HydrophobicContact CB-CE2 3.74Å; V57-Y59 HydrophobicContact CG1-CD2 4.09Å; V57-Y59 HydrophobicContact CG1-CE1 4.04Å; V57-Y59 HydrophobicContact CG1-CE2 3.38Å; V57-Y59 WeakPolarHBondContact CG1-OH 3.4Å |
| 60 | P | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 157.9 | 174.8 | 30.9 | -34.7 | 0 | 0 | 0 | 110.9 | L10 G11 I26 L28 H29 G35 V58 W78 L102 | L10-P60 HydrophobicContact CB-CB 4.47Å; L10-P60 HydrophobicContact CD1-CB 4.4Å; G11-P60 CarbonylContact O-C 2.92Å; I26-P60 HydrophobicContact CG2-CG 4.26Å; L28-P60 HydrophobicContact CD2-CG 3.46Å; L28-P60 VanDerWaalsContact CD2-CG 3.46Å; H29-P60 PolarHBondContact CD2-O 2.99Å; H29-P60 VanDerWaalsContact CD2-O 3.31Å; G35-P60 WeakPolarHBondContact CA-O 3.45Å; V58-P60 VanDerWaalsContact O-CD 3.27Å; V58-P60 WeakPolarHBondContact O-CD 3.35Å; P60-W78 HydrophobicContact CB-CH2 3.99Å; P60-W78 HydrophobicContact CG-CH2 3.82Å; P60-W78 HydrophobicContact CG-CZ2 4.47Å; P60-L102 HydrophobicContact CG-CD2 4.19Å |
| 61 | T | 98.6 | Very high | 97.5 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | trans | -112.2 | 125.1 | 175.4 | -56.9 | 0 | 0 | 0 | 0 | 108.9 | G11 T34 G35 | G11-T61 WeakPolarHBondContact O-CB 3.32Å; G11-T61 PolarHBondContact O-N 3.45Å; G11-T61 PolarHBondContact O-OG1 3.04Å; T34-T61 HydrophobicContact CG2-CG2 3.95Å; G35-T61 PolarHBondContact N-OG1 3.42Å | ||
| 62 | A | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 138 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | H29 N76 W78 | H29-A62 PolarHBondContact NE2-N 2.94Å; A62-N76 PolarHBondContact O-OD1 3.42Å; A62-W78 HydrophobicContact CB-CD2 3.72Å; A62-W78 HydrophobicContact CB-CE3 3.67Å; A62-W78 HydrophobicContact CB-CG 4.29Å; A62-W78 HydrophobicContact CB-CH2 4.08Å; A62-W78 HydrophobicContact CB-CZ2 4.14Å; A62-W78 HydrophobicContact CB-CZ3 3.85Å |
| 63 | P | 97.6 | Very high | 97.8 | Very high | 62 Ų | 62 | 48 Ų | 48 | 40% | 0.403 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 144.7 | 173.9 | 29 | -33 | 0 | 0 | 0 | 110.2 | L10 R65 M98 | L10-P63 HydrophobicContact CD2-CG 4.45Å; P63-R65 PolarHBondContact O-N 3.2Å; P63-M98 HydrophobicContact CG-CE 3.94Å |
| 64 | A | 97.6 | Very high | 97.9 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 51% | 0.512 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 128.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S75 N76 | A64-S75 WeakPolarHBondContact CA-O 2.99Å; A64-N76 WeakPolarHBondContact CA-OD1 3.42Å; A64-N76 WeakPolarHBondContact CB-OD1 3.43Å; A64-N76 PolarHBondContact N-OD1 3.25Å |
| 65 | R | 97.7 | Very high | 98 | Very high | 63 Ų | 63 | 50.5 Ų | 50.5 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 159.7 | 178.4 | 60.6 | -179.3 | -71.7 | 167.9 | 6.7 | 110.8 | P63 Y67 L74 S75 V77 S94 | P63-R65 PolarHBondContact O-N 3.2Å; R65-Y67 PolarHBondContact O-N 2.69Å; R65-L74 WeakPolarHBondContact O-CA 3.31Å; R65-S75 PolarHBondContact N-O 3.07Å; R65-S75 PolarHBondContact O-N 3.38Å; R65-V77 WeakPolarHBondContact CD-O 3.47Å; R65-V77 HydrophobicContact CG-CG2 3.37Å; R65-S94 VanDerWaalsContact NH2-CB 3.35Å |
| 66 | P | 98.3 | Very high | 98 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 137.5 | 171.2 | -24.8 | 35.2 | 0 | 0 | 0 | 111 | L74 | P66-L74 HydrophobicContact CG-CD2 3.97Å |
| 67 | Y | 98.4 | Very high | 98 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | trans | -123.8 | 118.8 | 178.2 | -172 | -134.9 | 0 | 0 | 0 | 110.7 | R65 P69 M70 G72 A73 V77 D80 R81 I84 M126 | R65-Y67 PolarHBondContact O-N 2.69Å; Y67-P69 HydrophobicContact CD1-CB 4.31Å; Y67-P69 HydrophobicContact CD1-CG 4.34Å; Y67-P69 HydrophobicContact CD2-CG 4.37Å; Y67-P69 HydrophobicContact CE1-CB 3.86Å; Y67-P69 HydrophobicContact CE1-CG 3.81Å; Y67-P69 HydrophobicContact CE2-CG 3.85Å; Y67-M70 HydrophobicContact CD1-CB 4.22Å; Y67-M70 HydrophobicContact CD1-CG 3.75Å; Y67-M70 HydrophobicContact CD1-SD 3.95Å; Y67-M70 HydrophobicContact CE1-CG 4.45Å; Y67-M70 CarbonylContact O-C 3.55Å; Y67-M70 WeakPolarHBondContact O-CA 3.38Å; Y67-M70 PolarHBondContact O-N 2.92Å; Y67-G72 PolarHBondContact O-N 3.29Å; Y67-A73 PolarHBondContact N-O 3.32Å; Y67-A73 VanDerWaalsContact N-O 3.08Å; Y67-V77 HydrophobicContact CD1-CG1 4.12Å; Y67-V77 HydrophobicContact CD2-CB 4.32Å; Y67-V77 HydrophobicContact CD2-CG1 4.1Å; Y67-V77 HydrophobicContact CD2-CG2 3.96Å; Y67-V77 HydrophobicContact CE1-CG1 4.42Å; Y67-V77 HydrophobicContact CE2-CG1 4.4Å; Y67-V77 HydrophobicContact CG-CG1 3.97Å; Y67-V77 HydrophobicContact CG-CG2 4.19Å; Y67-D80 VanDerWaalsContact CD2-OD1 3.23Å; Y67-D80 WeakPolarHBondContact CD2-OD1 3.33Å; Y67-R81 HydrophobicContact CE2-CB 4.21Å; Y67-R81 HydrophobicContact CE2-CG 4.47Å; Y67-I84 VanDerWaalsContact OH-CD1 3.31Å; Y67-I84 WeakPolarHBondContact OH-CD1 2.87Å; Y67-M126 HydrophobicContact CE2-CE 3.62Å; Y67-M126 WeakPolarHBondContact OH-CE 3.4Å | ||
| 68 | T | 98.2 | Very high | 98 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -57.8 | -43.6 | -173.1 | -71 | 0 | 0 | 0 | 0 | 113.2 | M70 R71 D80 R81 | T68-M70 PolarHBondContact O-N 3.23Å; T68-M70 VanDerWaalsContact O-N 3.14Å; T68-R71 PolarHBondContact O-N 3.06Å; T68-D80 WeakPolarHBondContact CB-OD1 3.29Å; T68-D80 WeakPolarHBondContact CB-OD2 3.35Å; T68-D80 PolarHBondContact N-OD1 3.39Å; T68-D80 PolarHBondContact OG1-OD1 3.41Å; T68-D80 PolarHBondContact OG1-OD2 3.1Å; T68-R81 WeakPolarHBondContact CB-O 3.41Å |
| 69 | P | 97.1 | Very high | 98 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 33% | 0.331 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -63.6 | -20.6 | 176.7 | -25.2 | 38.9 | 0 | 0 | 0 | 113.7 | Y67 R81 I84 | Y67-P69 HydrophobicContact CD1-CB 4.31Å; Y67-P69 HydrophobicContact CD1-CG 4.34Å; Y67-P69 HydrophobicContact CD2-CG 4.37Å; Y67-P69 HydrophobicContact CE1-CB 3.86Å; Y67-P69 HydrophobicContact CE1-CG 3.81Å; Y67-P69 HydrophobicContact CE2-CG 3.85Å; P69-R81 WeakPolarHBondContact CD-O 3.41Å; P69-R81 HydrophobicContact CG-CB 4.12Å; P69-R81 VanDerWaalsContact CG-O 3.31Å; P69-R81 WeakPolarHBondContact CG-O 3.41Å; P69-I84 HydrophobicContact CB-CD1 4.01Å; P69-I84 HydrophobicContact CB-CG1 4.18Å; P69-I84 HydrophobicContact CG-CD1 3.82Å; P69-I84 HydrophobicContact CG-CG1 4.38Å |
| 70 | M | 97 | Very high | 98 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 46% | 0.458 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -98 | 26 | 173.1 | -68.4 | -179.7 | 69.7 | 0 | 0 | 112.6 | Y67 T68 G72 A73 | Y67-M70 HydrophobicContact CD1-CB 4.22Å; Y67-M70 HydrophobicContact CD1-CG 3.75Å; Y67-M70 HydrophobicContact CD1-SD 3.95Å; Y67-M70 HydrophobicContact CE1-CG 4.45Å; Y67-M70 CarbonylContact O-C 3.55Å; Y67-M70 WeakPolarHBondContact O-CA 3.38Å; Y67-M70 PolarHBondContact O-N 2.92Å; T68-M70 PolarHBondContact O-N 3.23Å; T68-M70 VanDerWaalsContact O-N 3.14Å; M70-G72 PolarHBondContact O-N 3.03Å; M70-A73 HydrophobicContact CB-CB 4.13Å; M70-A73 HydrophobicContact CE-CB 4.41Å; M70-A73 WeakPolarHBondContact O-CB 3.31Å; M70-A73 PolarHBondContact O-N 3.32Å; M70-A73 VanDerWaalsContact O-N 3.07Å |
| 71 | R | 97 | Very high | 98 | Very high | 246 Ų | 246 | 50.9 Ų | 50.9 | 93% | 0.928 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 34 | 179.4 | -54.7 | 179.5 | -177.9 | -117.3 | 1 | 113.1 | T68 | T68-R71 PolarHBondContact O-N 3.06Š|
| 72 | G | 96.9 | Very high | 97.9 | Very high | 40 Ų | 40 | 55 Ų | 55 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 4.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y67 M70 | Y67-G72 PolarHBondContact O-N 3.29Å; M70-G72 PolarHBondContact O-N 3.03Å |
| 73 | A | 97.8 | Very high | 97.8 | Very high | 45 Ų | 45 | 61.7 Ų | 61.7 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | trans | -59.9 | 147.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y67 M70 | Y67-A73 PolarHBondContact N-O 3.32Å; Y67-A73 VanDerWaalsContact N-O 3.08Å; M70-A73 HydrophobicContact CB-CB 4.13Å; M70-A73 HydrophobicContact CE-CB 4.41Å; M70-A73 WeakPolarHBondContact O-CB 3.31Å; M70-A73 PolarHBondContact O-N 3.32Å; M70-A73 VanDerWaalsContact O-N 3.07Å | ||
| 74 | L | 98.1 | Very high | 97.6 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 66% | 0.66 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 130.9 | 176.8 | -65.5 | -178.9 | 0 | 0 | 0 | 110.4 | R65 P66 | R65-L74 WeakPolarHBondContact O-CA 3.31Å; P66-L74 HydrophobicContact CG-CD2 3.97Å |
| 75 | S | 98.2 | Very high | 97.5 | Very high | 15 Ų | 15 | 61 Ų | 61 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 153.2 | 175.6 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | G32 A64 R65 V77 | G32-S75 VanDerWaalsContact CA-OG 3.32Å; G32-S75 WeakPolarHBondContact CA-OG 3.47Å; A64-S75 WeakPolarHBondContact CA-O 2.99Å; R65-S75 PolarHBondContact N-O 3.07Å; R65-S75 PolarHBondContact O-N 3.38Å; S75-V77 PolarHBondContact O-N 3.06Å; S75-V77 VanDerWaalsContact O-N 3.1Å |
| 76 | N | 98.6 | Very high | 97.4 | Very high | 41 Ų | 41 | 59.1 Ų | 59.1 | 22% | 0.219 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 94.5 | 173.2 | -64.2 | -30.5 | 0 | 0 | 0 | 108.6 | G32 D33 A62 A64 | G32-N76 PolarHBondContact N-O 2.83Å; D33-N76 WeakPolarHBondContact O-CB 3.36Å; D33-N76 PolarHBondContact O-ND2 3.02Å; A62-N76 PolarHBondContact O-OD1 3.42Å; A64-N76 WeakPolarHBondContact CA-OD1 3.42Å; A64-N76 WeakPolarHBondContact CB-OD1 3.43Å; A64-N76 PolarHBondContact N-OD1 3.25Å |
| 77 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -131.5 | 139.4 | -176.9 | -65.1 | 0 | 0 | 0 | 0 | 110.5 | R65 Y67 S75 M126 | R65-V77 WeakPolarHBondContact CD-O 3.47Å; R65-V77 HydrophobicContact CG-CG2 3.37Å; Y67-V77 HydrophobicContact CD1-CG1 4.12Å; Y67-V77 HydrophobicContact CD2-CB 4.32Å; Y67-V77 HydrophobicContact CD2-CG1 4.1Å; Y67-V77 HydrophobicContact CD2-CG2 3.96Å; Y67-V77 HydrophobicContact CE1-CG1 4.42Å; Y67-V77 HydrophobicContact CE2-CG1 4.4Å; Y67-V77 HydrophobicContact CG-CG1 3.97Å; Y67-V77 HydrophobicContact CG-CG2 4.19Å; S75-V77 PolarHBondContact O-N 3.06Å; S75-V77 VanDerWaalsContact O-N 3.1Å; V77-M126 HydrophobicContact CB-CE 3.87Å; V77-M126 HydrophobicContact CB-SD 3.59Å; V77-M126 VanDerWaalsContact CB-SD 3.59Å; V77-M126 HydrophobicContact CG1-CE 3.89Å; V77-M126 HydrophobicContact CG1-SD 4.01Å | ||
| 78 | W | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -67.2 | -41.9 | -179.7 | -62.7 | 109.9 | 0 | 0 | 0 | 111.3 | L10 L28 H29 P60 A62 M98 L102 M126 M130 | L10-W78 HydrophobicContact CD1-CZ3 4.18Å; L28-W78 HydrophobicContact CB-CZ2 3.94Å; L28-W78 HydrophobicContact CD2-CH2 4Å; L28-W78 HydrophobicContact CD2-CZ2 3.96Å; L28-W78 HydrophobicContact CG-CZ2 4.49Å; H29-W78 AromaticContact CD2-CZ2 3.54Å; H29-W78 AromaticContact NE2-CZ2 3.6Å; H29-W78 PolarHBondContact O-NE1 3.47Å; P60-W78 HydrophobicContact CB-CH2 3.99Å; P60-W78 HydrophobicContact CG-CH2 3.82Å; P60-W78 HydrophobicContact CG-CZ2 4.47Å; A62-W78 HydrophobicContact CB-CD2 3.72Å; A62-W78 HydrophobicContact CB-CE3 3.67Å; A62-W78 HydrophobicContact CB-CG 4.29Å; A62-W78 HydrophobicContact CB-CH2 4.08Å; A62-W78 HydrophobicContact CB-CZ2 4.14Å; A62-W78 HydrophobicContact CB-CZ3 3.85Å; W78-M98 HydrophobicContact CB-CG 4.13Å; W78-M98 HydrophobicContact CE3-CE 4.32Å; W78-M98 HydrophobicContact CE3-CG 3.85Å; W78-M98 HydrophobicContact CE3-SD 3.63Å; W78-M98 HydrophobicContact CZ3-SD 4.08Å; W78-M98 WeakPolarHBondContact O-CB 3.41Å; W78-M98 WeakPolarHBondContact O-CE 3.37Å; W78-M98 VanDerWaalsContact O-CG 3.26Å; W78-M98 WeakPolarHBondContact O-CG 3.5Å; W78-L102 HydrophobicContact CE3-CD1 4.17Å; W78-L102 HydrophobicContact CE3-CD2 4.41Å; W78-L102 HydrophobicContact CH2-CD2 4.3Å; W78-L102 HydrophobicContact CZ3-CD1 4.36Å; W78-L102 HydrophobicContact CZ3-CD2 3.79Å; W78-L102 HydrophobicContact CZ3-CG 4.32Å; W78-M126 HydrophobicContact CB-CG 4.26Å; W78-M126 HydrophobicContact CB-SD 4.15Å; W78-M126 PolarHBondContact N-SD 3.32Å; W78-M130 HydrophobicContact CB-CB 4.15Å; W78-M130 HydrophobicContact CB-CG 4.01Å; W78-M130 HydrophobicContact CB-SD 4.28Å; W78-M130 HydrophobicContact CG-CB 4.25Å; W78-M130 HydrophobicContact CG-CG 4.26Å |
| 79 | F | 98.7 | Very high | 97 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -151.2 | 166.2 | -177.6 | 58.4 | -93.4 | 0 | 0 | 0 | 109.7 | R81 S94 I95 M126 A129 M130 | F79-R81 HydrophobicContact CD2-CG 4.37Å; F79-R81 HydrophobicContact CE2-CG 3.98Å; F79-S94 WeakPolarHBondContact CB-OG 3.38Å; F79-I95 HydrophobicContact CB-CB 4.43Å; F79-I95 HydrophobicContact CB-CG1 3.59Å; F79-I95 HydrophobicContact CD1-CG1 4.14Å; F79-I95 HydrophobicContact CD2-CD1 4.14Å; F79-I95 HydrophobicContact CD2-CG1 3.76Å; F79-I95 HydrophobicContact CE2-CD1 4.48Å; F79-I95 HydrophobicContact CE2-CG1 4.47Å; F79-I95 HydrophobicContact CG-CD1 4.42Å; F79-I95 HydrophobicContact CG-CG1 3.58Å; F79-M126 HydrophobicContact CD1-CG 4.08Å; F79-M126 HydrophobicContact CE1-CG 3.57Å; F79-M126 WeakPolarHBondContact CE1-O 3.5Å; F79-M126 HydrophobicContact CE2-CG 4.44Å; F79-M126 HydrophobicContact CZ-CG 3.78Å; F79-A129 HydrophobicContact CE1-CB 4.29Å; F79-A129 HydrophobicContact CZ-CB 3.9Å; F79-M130 HydrophobicContact CD1-CB 4.21Å; F79-M130 HydrophobicContact CD1-SD 3.77Å; F79-M130 HydrophobicContact CE1-CB 3.93Å; F79-M130 HydrophobicContact CE1-SD 4.32Å |
| 80 | D | 98.5 | Very high | 97 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.08 | 32% | 0.317 | C | S | . | . | trans | -89.3 | 157.3 | 179.1 | -162.2 | 17.8 | 0 | 0 | 0 | 111.7 | Y67 T68 H91 S94 | Y67-D80 VanDerWaalsContact CD2-OD1 3.23Å; Y67-D80 WeakPolarHBondContact CD2-OD1 3.33Å; T68-D80 WeakPolarHBondContact CB-OD1 3.29Å; T68-D80 WeakPolarHBondContact CB-OD2 3.35Å; T68-D80 PolarHBondContact N-OD1 3.39Å; T68-D80 PolarHBondContact OG1-OD1 3.41Å; T68-D80 PolarHBondContact OG1-OD2 3.1Å; D80-H91 HydrophobicContact CB-CB 4.42Å; D80-H91 VanDerWaalsContact O-CB 3.24Å; D80-H91 WeakPolarHBondContact O-CB 3.21Å; D80-S94 PolarHBondContact N-OG 3.38Å | ||
| 81 | R | 98.3 | Very high | 97 | Very high | 17 Ų | 17 | 59.9 Ų | 59.9 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | trans | -129.6 | 131.2 | 174.1 | -71.5 | -173.3 | 173.7 | -81.2 | 6.1 | 109.1 | Y67 T68 P69 F79 K83 F151 N153 | Y67-R81 HydrophobicContact CE2-CB 4.21Å; Y67-R81 HydrophobicContact CE2-CG 4.47Å; T68-R81 WeakPolarHBondContact CB-O 3.41Å; P69-R81 WeakPolarHBondContact CD-O 3.41Å; P69-R81 HydrophobicContact CG-CB 4.12Å; P69-R81 VanDerWaalsContact CG-O 3.31Å; P69-R81 WeakPolarHBondContact CG-O 3.41Å; F79-R81 HydrophobicContact CD2-CG 4.37Å; F79-R81 HydrophobicContact CE2-CG 3.98Å; R81-K83 VanDerWaalsContact C-N 3.27Å; R81-K83 PolarHBondContact O-N 3.28Å; R81-F151 VanDerWaalsContact CZ-CZ 3.5Å; R81-F151 VanDerWaalsContact NH1-CZ 3.32Å; R81-N153 PolarHBondContact NH1-OD1 3.46Å; R81-N153 VanDerWaalsContact NH1-OD1 3.11Å | ||
| 82 | Y | 96.9 | Very high | 97.1 | Very high | 119 Ų | 119 | 51.1 Ų | 51.1 | 47% | 0.467 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -63 | -39.4 | 172.1 | -60.3 | -65.6 | 0 | 0 | 0 | 111.5 | L89 H91 | Y82-L89 HydrophobicContact CD2-CB 4.5Å; Y82-L89 WeakPolarHBondContact CD2-O 3.41Å; Y82-L89 HydrophobicContact CE2-CB 4.38Å; Y82-H91 AromaticContact CE1-CD2 3.71Å; Y82-H91 HydrophobicContact CE2-CB 4.16Å; Y82-H91 AromaticContact CZ-CD2 3.59Å |
| 83 | K | 95.6 | Very high | 97.2 | Very high | 141 Ų | 141 | 56.6 Ų | 56.6 | 61% | 0.613 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -147.3 | 156.1 | 177.7 | -60.8 | -177.9 | -176.3 | 175.9 | 0 | 110 | R81 S85 | R81-K83 VanDerWaalsContact C-N 3.27Å; R81-K83 PolarHBondContact O-N 3.28Å; K83-S85 PolarHBondContact O-N 3.47Å |
| 84 | I | 94.4 | Very high | 97.2 | Very high | 82 Ų | 82 | 54.7 Ų | 54.7 | 42% | 0.421 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -80.8 | 78.9 | 166.3 | -50.8 | -55.7 | 0 | 0 | 0 | 107.9 | Y67 P69 | Y67-I84 VanDerWaalsContact OH-CD1 3.31Å; Y67-I84 WeakPolarHBondContact OH-CD1 2.87Å; P69-I84 HydrophobicContact CB-CD1 4.01Å; P69-I84 HydrophobicContact CB-CG1 4.18Å; P69-I84 HydrophobicContact CG-CD1 3.82Å; P69-I84 HydrophobicContact CG-CG1 4.38Å |
| 85 | S | 95.2 | Very high | 97.2 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -158.2 | 145.3 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | K83 D87 C88 N153 | K83-S85 PolarHBondContact O-N 3.47Å; S85-D87 PolarHBondContact OG-N 2.71Å; S85-C88 PolarHBondContact O-SG 2.75Å; S85-C88 VanDerWaalsContact O-SG 3.4Å; S85-N153 PolarHBondContact O-ND2 3.11Å |
| 86 | H | 94.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 11% | 0.106 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -73 | -20.1 | 166.5 | 75.8 | -59 | 0 | 0 | 0 | 112.4 | C88 F151 N153 K154 W190 E193 | H86-C88 VanDerWaalsContact C-N 3.27Å; H86-C88 PolarHBondContact O-N 2.87Å; H86-F151 VanDerWaalsContact CA-CE2 3.5Å; H86-F151 HydrophobicContact CB-CD2 3.56Å; H86-F151 HydrophobicContact CB-CE2 3.82Å; H86-N153 WeakPolarHBondContact O-CA 3.44Å; H86-N153 PolarHBondContact O-ND2 2.85Å; H86-K154 WeakPolarHBondContact CD2-CE 3.44Å; H86-K154 WeakPolarHBondContact NE2-CE 3.47Å; H86-K154 PolarHBondContact O-N 3.47Å; H86-W190 HydrophobicContact CB-CB 4.39Å; H86-W190 HydrophobicContact CB-CD2 4.29Å; H86-W190 HydrophobicContact CB-CG 4.13Å; H86-W190 AromaticContact CE1-CD1 3.47Å; H86-W190 VanDerWaalsContact CE1-CD1 3.47Å; H86-W190 AromaticContact CE1-NE1 3.26Å; H86-W190 PolarHBondContact CE1-NE1 3.27Å; H86-W190 VanDerWaalsContact CE1-NE1 3.26Å; H86-W190 AromaticContact CG-CD1 3.69Å; H86-W190 AromaticContact CG-CG 3.89Å; H86-W190 AromaticContact CG-NE1 3.94Å; H86-W190 AromaticContact ND1-CD1 3.23Å; H86-W190 AromaticContact ND1-CD2 3.78Å; H86-W190 AromaticContact ND1-CE2 3.36Å; H86-W190 AromaticContact ND1-CG 3.71Å; H86-W190 AromaticContact ND1-NE1 3.03Å; H86-W190 PolarHBondContact ND1-NE1 3.11Å; H86-E193 IonicContact CD2-OE2 2.64Å; H86-E193 PolarHBondContact CD2-OE2 3.33Å; H86-E193 IonicContact NE2-OE2 3.51Å; H86-E193 PolarHBondContact NE2-OE2 3.49Å |
| 87 | D | 95.9 | Very high | 97.2 | Very high | 105 Ų | 105 | 50.6 Ų | 50.6 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -92.3 | 50.5 | -178.2 | -158.8 | 42.7 | 0 | 0 | 0 | 111.7 | S85 K154 | S85-D87 PolarHBondContact OG-N 2.71Å; D87-K154 WeakPolarHBondContact OD1-CD 3.39Å; D87-K154 WeakPolarHBondContact OD1-CE 3.37Å; D87-K154 IonicContact OD1-NZ 3.67Å; D87-K154 PolarHBondContact OD1-NZ 2.64Å; D87-K154 IonicContact OD2-NZ 3.95Å |
| 88 | C | 95.1 | Very high | 97.2 | Very high | 33 Ų | 33 | 50.9 Ų | 50.9 | 22% | 0.223 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -153.1 | 169.3 | 169.5 | 71.6 | 0 | 0 | 0 | 0 | 109.7 | S85 H86 N153 | S85-C88 PolarHBondContact O-SG 2.75Å; S85-C88 VanDerWaalsContact O-SG 3.4Å; H86-C88 VanDerWaalsContact C-N 3.27Å; H86-C88 PolarHBondContact O-N 2.87Å; C88-N153 WeakPolarHBondContact O-CB 3.42Å; C88-N153 PolarHBondContact O-ND2 3.17Å; C88-N153 PolarHBondContact SG-ND2 3.35Å |
| 89 | L | 95.7 | Very high | 97.1 | Very high | 125 Ų | 125 | 51 Ų | 51 | 65% | 0.654 | 26% | 0.259 | S | S | * | . | trans | -65.5 | 148.9 | 173.3 | -62.1 | 177.6 | 0 | 0 | 0 | 111.1 | Y82 | Y82-L89 HydrophobicContact CD2-CB 4.5Å; Y82-L89 WeakPolarHBondContact CD2-O 3.41Å; Y82-L89 HydrophobicContact CE2-CB 4.38Å | ||
| 90 | E | 97.3 | Very high | 97 | Very high | 21 Ų | 21 | 56.2 Ų | 56.2 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | trans | -80.8 | 147.7 | 167.6 | 67.8 | -164 | 177.1 | 0 | 0 | 110.3 | L92 I95 H133 N153 S156 V157 | E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 HydrophobicContact CG-CD2 3.7Å; E90-L92 HydrophobicContact CG-CG 3.76Å; E90-L92 PolarHBondContact O-N 3.1Å; E90-L92 WeakPolarHBondContact OE1-CD2 3.45Å; E90-I95 HydrophobicContact CB-CD1 3.89Å; E90-I95 HydrophobicContact CG-CD1 4.19Å; E90-H133 IonicContact OE1-CE1 3.9Å; E90-H133 IonicContact OE2-CE1 3Å; E90-H133 PolarHBondContact OE2-CE1 3.43Å; E90-H133 IonicContact OE2-NE2 2.71Å; E90-H133 PolarHBondContact OE2-NE2 2.77Å; E90-N153 HydrophobicContact CB-CB 4.28Å; E90-S156 WeakPolarHBondContact OE2-CA 3.04Å; E90-S156 VanDerWaalsContact OE2-CB 3.28Å; E90-S156 WeakPolarHBondContact OE2-CB 3.35Å; E90-S156 PolarHBondContact OE2-OG 3.31Å; E90-V157 WeakPolarHBondContact OE1-CG2 3.16Å; E90-V157 PolarHBondContact OE1-N 2.89Å | ||
| 91 | H | 98.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 57.4 Ų | 57.4 | 15% | 0.148 | 30% | 0.297 | C | S | . | . | trans | -84.9 | 72.1 | 179 | -165.6 | -49.2 | 0 | 0 | 0 | 110.6 | D80 Y82 E93 S94 I95 | D80-H91 HydrophobicContact CB-CB 4.42Å; D80-H91 VanDerWaalsContact O-CB 3.24Å; D80-H91 WeakPolarHBondContact O-CB 3.21Å; Y82-H91 AromaticContact CE1-CD2 3.71Å; Y82-H91 HydrophobicContact CE2-CB 4.16Å; Y82-H91 AromaticContact CZ-CD2 3.59Å; H91-E93 VanDerWaalsContact C-N 3.32Å; H91-E93 IonicContact CE1-OE2 3.3Å; H91-E93 PolarHBondContact O-N 3.08Å; H91-E93 VanDerWaalsContact O-N 3.17Å; H91-S94 PolarHBondContact ND1-N 2.77Å; H91-S94 PolarHBondContact ND1-OG 2.83Å; H91-S94 PolarHBondContact O-N 3.29Å; H91-S94 PolarHBondContact O-OG 3.17Å; H91-I95 PolarHBondContact O-N 2.82Å | ||
| 92 | L | 98.3 | Very high | 96.8 | Very high | 62 Ų | 62 | 56.7 Ų | 56.7 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -48.7 | -45 | -171.7 | -78.5 | 178.7 | 0 | 0 | 0 | 114.7 | E90 S94 I95 D96 V157 | E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 HydrophobicContact CG-CD2 3.7Å; E90-L92 HydrophobicContact CG-CG 3.76Å; E90-L92 PolarHBondContact O-N 3.1Å; E90-L92 WeakPolarHBondContact OE1-CD2 3.45Å; L92-S94 PolarHBondContact O-N 3.07Å; L92-I95 PolarHBondContact O-N 3.2Å; L92-I95 VanDerWaalsContact O-N 3.07Å; L92-D96 WeakPolarHBondContact O-CB 3.26Å; L92-D96 PolarHBondContact O-N 2.85Å; L92-V157 HydrophobicContact CD1-CG1 3.96Å; L92-V157 HydrophobicContact CD2-CG1 4.16Å; L92-V157 HydrophobicContact CD2-CG2 3.78Å |
| 93 | E | 98.4 | Very high | 96.7 | Very high | 155 Ų | 155 | 51.6 Ų | 51.6 | 72% | 0.724 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -53.8 | -43.1 | 179.6 | -176.6 | -172.2 | 173.4 | 0 | 0 | 112.1 | H91 A97 | H91-E93 VanDerWaalsContact C-N 3.32Å; H91-E93 IonicContact CE1-OE2 3.3Å; H91-E93 PolarHBondContact O-N 3.08Å; H91-E93 VanDerWaalsContact O-N 3.17Å; E93-A97 WeakPolarHBondContact O-CB 3.31Å; E93-A97 PolarHBondContact O-N 3.41Å; E93-A97 VanDerWaalsContact O-N 3.1Å |
| 94 | S | 98.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.4 | -32.5 | -178.8 | 72.7 | 0 | 0 | 0 | 0 | 112.7 | R65 F79 D80 H91 L92 M98 | R65-S94 VanDerWaalsContact NH2-CB 3.35Å; F79-S94 WeakPolarHBondContact CB-OG 3.38Å; D80-S94 PolarHBondContact N-OG 3.38Å; H91-S94 PolarHBondContact ND1-N 2.77Å; H91-S94 PolarHBondContact ND1-OG 2.83Å; H91-S94 PolarHBondContact O-N 3.29Å; H91-S94 PolarHBondContact O-OG 3.17Å; L92-S94 PolarHBondContact O-N 3.07Å; S94-M98 WeakPolarHBondContact O-CB 3.37Å; S94-M98 PolarHBondContact O-N 2.81Å |
| 95 | I | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.5 | -46.9 | 175.9 | -67.2 | 166.7 | 0 | 0 | 0 | 109.8 | F79 E90 H91 L92 M98 A99 M130 H133 | F79-I95 HydrophobicContact CB-CB 4.43Å; F79-I95 HydrophobicContact CB-CG1 3.59Å; F79-I95 HydrophobicContact CD1-CG1 4.14Å; F79-I95 HydrophobicContact CD2-CD1 4.14Å; F79-I95 HydrophobicContact CD2-CG1 3.76Å; F79-I95 HydrophobicContact CE2-CD1 4.48Å; F79-I95 HydrophobicContact CE2-CG1 4.47Å; F79-I95 HydrophobicContact CG-CD1 4.42Å; F79-I95 HydrophobicContact CG-CG1 3.58Å; E90-I95 HydrophobicContact CB-CD1 3.89Å; E90-I95 HydrophobicContact CG-CD1 4.19Å; H91-I95 PolarHBondContact O-N 2.82Å; L92-I95 PolarHBondContact O-N 3.2Å; L92-I95 VanDerWaalsContact O-N 3.07Å; I95-M98 PolarHBondContact O-N 3.4Å; I95-A99 PolarHBondContact O-N 3.41Å; I95-M130 HydrophobicContact CG2-CE 4.18Å; I95-M130 HydrophobicContact CG2-SD 4.41Å; I95-H133 HydrophobicContact CG2-CB 3.91Å |
| 96 | D | 98.4 | Very high | 96.8 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 24% | 0.235 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.9 | -39.6 | -177.4 | -68.1 | -15.6 | 0 | 0 | 0 | 111.5 | L92 M98 A99 N100 R137 Y138 | L92-D96 WeakPolarHBondContact O-CB 3.26Å; L92-D96 PolarHBondContact O-N 2.85Å; D96-M98 VanDerWaalsContact C-N 3.28Å; D96-M98 PolarHBondContact O-N 3.11Å; D96-A99 PolarHBondContact O-N 2.91Å; D96-N100 PolarHBondContact O-N 3.3Å; D96-N100 VanDerWaalsContact O-N 3.08Å; D96-N100 PolarHBondContact O-ND2 2.88Å; D96-R137 IonicContact OD1-CZ 3.88Å; D96-R137 IonicContact OD1-NH1 3.09Å; D96-R137 PolarHBondContact OD1-NH1 3Å; D96-R137 IonicContact OD1-NH2 2.61Å; D96-R137 PolarHBondContact OD1-NH2 3.29Å; D96-R137 IonicContact OD2-NH2 3.31Å; D96-Y138 PolarHBondContact OD1-OH 3.03Å |
| 97 | A | 97.6 | Very high | 96.9 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E93 S101 | E93-A97 WeakPolarHBondContact O-CB 3.31Å; E93-A97 PolarHBondContact O-N 3.41Å; E93-A97 VanDerWaalsContact O-N 3.1Å; A97-S101 PolarHBondContact O-N 2.95Å; A97-S101 PolarHBondContact O-OG 3.05Å |
| 98 | M | 98.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.7 | -35.7 | 177.6 | -170.4 | 52.6 | 65.5 | 0 | 0 | 112.6 | P63 W78 S94 I95 D96 N100 S101 L102 M130 | P63-M98 HydrophobicContact CG-CE 3.94Å; W78-M98 HydrophobicContact CB-CG 4.13Å; W78-M98 HydrophobicContact CE3-CE 4.32Å; W78-M98 HydrophobicContact CE3-CG 3.85Å; W78-M98 HydrophobicContact CE3-SD 3.63Å; W78-M98 HydrophobicContact CZ3-SD 4.08Å; W78-M98 WeakPolarHBondContact O-CB 3.41Å; W78-M98 WeakPolarHBondContact O-CE 3.37Å; W78-M98 VanDerWaalsContact O-CG 3.26Å; W78-M98 WeakPolarHBondContact O-CG 3.5Å; S94-M98 WeakPolarHBondContact O-CB 3.37Å; S94-M98 PolarHBondContact O-N 2.81Å; I95-M98 PolarHBondContact O-N 3.4Å; D96-M98 VanDerWaalsContact C-N 3.28Å; D96-M98 PolarHBondContact O-N 3.11Å; M98-N100 VanDerWaalsContact C-N 3.29Å; M98-N100 PolarHBondContact O-N 3.17Å; M98-S101 WeakPolarHBondContact O-CB 3.28Å; M98-S101 PolarHBondContact O-N 3.07Å; M98-S101 VanDerWaalsContact O-N 3.1Å; M98-L102 HydrophobicContact CG-CD1 3.99Å; M98-L102 HydrophobicContact CG-CG 4.35Å; M98-L102 PolarHBondContact O-N 3.11Å; M98-L102 HydrophobicContact SD-CG 4.31Å; M98-M130 HydrophobicContact CB-CE 4.35Å; M98-M130 HydrophobicContact CB-SD 4Å; M98-M130 HydrophobicContact CG-CE 4.47Å; M98-M130 HydrophobicContact CG-CG 4.42Å; M98-M130 HydrophobicContact CG-SD 3.91Å |
| 99 | A | 97.8 | Very high | 97 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I95 D96 S101 L102 G103 M130 L134 Y138 | I95-A99 PolarHBondContact O-N 3.41Å; D96-A99 PolarHBondContact O-N 2.91Å; A99-S101 VanDerWaalsContact C-N 3.35Å; A99-S101 PolarHBondContact O-N 3.03Å; A99-L102 PolarHBondContact O-N 3.35Å; A99-G103 PolarHBondContact O-N 3.39Å; A99-M130 HydrophobicContact CB-CE 3.89Å; A99-L134 HydrophobicContact CB-CD1 4.16Å; A99-Y138 HydrophobicContact CB-CD2 3.73Å; A99-Y138 HydrophobicContact CB-CE2 3.45Å; A99-Y138 VanDerWaalsContact CB-CE2 3.45Å; A99-Y138 HydrophobicContact CB-CG 4.39Å |
| 100 | N | 94.9 | Very high | 97.1 | Very high | 114 Ų | 114 | 36.2 Ų | 36.2 | 61% | 0.61 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -60.5 | -43.2 | 173.1 | -70.8 | -30 | 0 | 0 | 0 | 112.2 | D96 M98 G103 A104 | D96-N100 PolarHBondContact O-N 3.3Å; D96-N100 VanDerWaalsContact O-N 3.08Å; D96-N100 PolarHBondContact O-ND2 2.88Å; M98-N100 VanDerWaalsContact C-N 3.29Å; M98-N100 PolarHBondContact O-N 3.17Å; N100-G103 PolarHBondContact O-N 2.54Å; N100-A104 PolarHBondContact O-N 3.31Å |
| 101 | S | 95.8 | Very high | 97.1 | Very high | 40 Ų | 40 | 44 Ų | 44 | 28% | 0.28 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 179.2 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | A97 M98 A99 G103 A104 | A97-S101 PolarHBondContact O-N 2.95Å; A97-S101 PolarHBondContact O-OG 3.05Å; M98-S101 WeakPolarHBondContact O-CB 3.28Å; M98-S101 PolarHBondContact O-N 3.07Å; M98-S101 VanDerWaalsContact O-N 3.1Å; A99-S101 VanDerWaalsContact C-N 3.35Å; A99-S101 PolarHBondContact O-N 3.03Å; S101-G103 VanDerWaalsContact C-N 3.33Å; S101-A104 WeakPolarHBondContact O-CB 3.15Å; S101-A104 PolarHBondContact O-N 3.31Å |
| 102 | L | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.3 | -27.4 | 175.5 | -73.3 | 168.8 | 0 | 0 | 0 | 112.4 | L10 L28 P60 W78 M98 A99 A104 V105 I106 M130 L134 | L10-L102 HydrophobicContact CD1-CD2 3.78Å; L10-L102 HydrophobicContact CD1-CG 4.34Å; L28-L102 HydrophobicContact CD1-CD1 3.87Å; L28-L102 HydrophobicContact CD2-CD1 4.33Å; L28-L102 HydrophobicContact CD2-CD2 3.78Å; P60-L102 HydrophobicContact CG-CD2 4.19Å; W78-L102 HydrophobicContact CE3-CD1 4.17Å; W78-L102 HydrophobicContact CE3-CD2 4.41Å; W78-L102 HydrophobicContact CH2-CD2 4.3Å; W78-L102 HydrophobicContact CZ3-CD1 4.36Å; W78-L102 HydrophobicContact CZ3-CD2 3.79Å; W78-L102 HydrophobicContact CZ3-CG 4.32Å; M98-L102 HydrophobicContact CG-CD1 3.99Å; M98-L102 HydrophobicContact CG-CG 4.35Å; M98-L102 PolarHBondContact O-N 3.11Å; M98-L102 HydrophobicContact SD-CG 4.31Å; A99-L102 PolarHBondContact O-N 3.35Å; L102-A104 PolarHBondContact O-N 3.04Å; L102-V105 WeakPolarHBondContact O-CB 3.37Å; L102-V105 PolarHBondContact O-N 2.68Å; L102-I106 PolarHBondContact O-N 3.09Å; L102-I106 VanDerWaalsContact O-N 3.11Å; L102-M130 HydrophobicContact CD1-CE 4.28Å; L102-M130 HydrophobicContact CD1-CG 3.63Å; L102-M130 HydrophobicContact CD1-SD 4.48Å; L102-L134 HydrophobicContact CB-CD1 4.31Å; L102-L134 HydrophobicContact CB-CD2 3.64Å; L102-L134 HydrophobicContact CD1-CD2 4.01Å; L102-L134 HydrophobicContact CG-CD2 4.4Å |
| 103 | G | 95.3 | Very high | 96.9 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55 | -36.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | A99 N100 S101 V105 I106 Q107 | A99-G103 PolarHBondContact O-N 3.39Å; N100-G103 PolarHBondContact O-N 2.54Å; S101-G103 VanDerWaalsContact C-N 3.33Å; G103-V105 VanDerWaalsContact C-N 3.35Å; G103-V105 PolarHBondContact O-N 3Å; G103-I106 PolarHBondContact O-N 3.12Å; G103-Q107 VanDerWaalsContact O-CG 3.29Å; G103-Q107 WeakPolarHBondContact O-CG 3.43Å; G103-Q107 PolarHBondContact O-N 3.26Å |
| 104 | A | 94.4 | Very high | 96.9 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -37.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N100 S101 L102 Q107 E108 | N100-A104 PolarHBondContact O-N 3.31Å; S101-A104 WeakPolarHBondContact O-CB 3.15Å; S101-A104 PolarHBondContact O-N 3.31Å; L102-A104 PolarHBondContact O-N 3.04Å; A104-Q107 PolarHBondContact O-N 2.9Å; A104-E108 WeakPolarHBondContact O-CG 3.29Å; A104-E108 PolarHBondContact O-N 3.36Å; A104-E108 VanDerWaalsContact O-N 3.11Å |
| 105 | V | 96.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 175.4 | -178.6 | 0 | 0 | 0 | 0 | 110.6 | L10 I26 V58 L102 G103 Q107 E108 E109 | L10-V105 HydrophobicContact CB-CG2 4.49Å; L10-V105 HydrophobicContact CD1-CG2 4.1Å; I26-V105 HydrophobicContact CD1-CG1 4.41Å; V58-V105 HydrophobicContact CG1-CG1 4.18Å; L102-V105 WeakPolarHBondContact O-CB 3.37Å; L102-V105 PolarHBondContact O-N 2.68Å; G103-V105 VanDerWaalsContact C-N 3.35Å; G103-V105 PolarHBondContact O-N 3Å; V105-Q107 VanDerWaalsContact C-N 3.33Å; V105-Q107 PolarHBondContact O-N 2.85Å; V105-E108 PolarHBondContact O-N 2.91Å; V105-E109 PolarHBondContact O-N 3.27Å |
| 106 | I | 96.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.2 | -66.8 | 167.6 | 0 | 0 | 0 | 110.5 | I26 L102 G103 E108 E109 I110 M119 I121 L134 H139 | I26-I106 HydrophobicContact CD1-CG1 3.64Å; L102-I106 PolarHBondContact O-N 3.09Å; L102-I106 VanDerWaalsContact O-N 3.11Å; G103-I106 PolarHBondContact O-N 3.12Å; I106-E108 PolarHBondContact O-N 2.78Å; I106-E109 PolarHBondContact O-N 3.18Å; I106-E109 VanDerWaalsContact O-N 3.17Å; I106-I110 HydrophobicContact CG2-CD1 4.03Å; I106-I110 HydrophobicContact CG2-CG1 4.49Å; I106-I110 WeakPolarHBondContact O-CG1 3.33Å; I106-I110 PolarHBondContact O-N 3.33Å; I106-M119 HydrophobicContact CG2-SD 4.06Å; I106-I121 HydrophobicContact CD1-CD1 3.68Å; I106-I121 HydrophobicContact CG1-CD1 4.4Å; I106-L134 HydrophobicContact CD1-CD1 4.28Å; I106-L134 HydrophobicContact CD1-CD2 3.85Å; I106-L134 HydrophobicContact CD1-CG 4.07Å; I106-H139 HydrophobicContact CD1-CB 4.43Å; I106-H139 WeakPolarHBondContact CD1-CD2 3.34Å; I106-H139 WeakPolarHBondContact CD1-NE2 3.28Å |
| 107 | Q | 96.6 | Very high | 96.8 | Very high | 94 Ų | 94 | 45.7 Ų | 45.7 | 44% | 0.439 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.1 | -26.4 | 179.2 | -70.5 | -63.2 | -1.6 | 0 | 0 | 113.7 | G103 A104 V105 R111 | G103-Q107 VanDerWaalsContact O-CG 3.29Å; G103-Q107 WeakPolarHBondContact O-CG 3.43Å; G103-Q107 PolarHBondContact O-N 3.26Å; A104-Q107 PolarHBondContact O-N 2.9Å; V105-Q107 VanDerWaalsContact C-N 3.33Å; V105-Q107 PolarHBondContact O-N 2.85Å; Q107-R111 WeakPolarHBondContact O-CB 3.26Å; Q107-R111 WeakPolarHBondContact O-CG 3.3Å; Q107-R111 PolarHBondContact O-N 3.26Å; Q107-R111 PolarHBondContact O-NE 3.49Å |
| 108 | E | 95.5 | Very high | 96.8 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 16% | 0.159 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.2 | -39.8 | 172.7 | -72 | 170.6 | 132.5 | 0 | 0 | 112.4 | L9 R12 A104 V105 I106 I110 R111 A112 | L9-E108 WeakPolarHBondContact CD2-OE1 3.28Å; R12-E108 IonicContact CZ-OE1 2.95Å; R12-E108 IonicContact CZ-OE2 3.18Å; R12-E108 IonicContact NH1-OE1 3.61Å; R12-E108 IonicContact NH1-OE2 2.77Å; R12-E108 PolarHBondContact NH1-OE2 2.87Å; R12-E108 IonicContact NH2-OE1 3.58Å; R12-E108 PolarHBondContact NH2-OE1 3.38Å; R12-E108 IonicContact NH2-OE2 2.75Å; R12-E108 PolarHBondContact NH2-OE2 2.76Å; A104-E108 WeakPolarHBondContact O-CG 3.29Å; A104-E108 PolarHBondContact O-N 3.36Å; A104-E108 VanDerWaalsContact O-N 3.11Å; V105-E108 PolarHBondContact O-N 2.91Å; I106-E108 PolarHBondContact O-N 2.78Å; E108-I110 VanDerWaalsContact C-N 3.31Å; E108-R111 CarbonylContact O-C 3.52Å; E108-R111 PolarHBondContact O-N 3.32Å; E108-A112 WeakPolarHBondContact O-CB 3.34Å; E108-A112 PolarHBondContact O-N 2.92Å |
| 109 | E | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.7 | -35.4 | 175.7 | -64.8 | -62.6 | 123.1 | 0 | 0 | 111 | H21 S24 R56 V105 I106 A112 G113 V114 M119 | H21-E109 IonicContact CE1-OE2 3.33Å; H21-E109 PolarHBondContact CE1-OE2 3.19Å; H21-E109 VanDerWaalsContact CE1-OE2 3.31Å; H21-E109 IonicContact NE2-OE2 3.98Å; S24-E109 WeakPolarHBondContact CB-OE2 3.34Å; S24-E109 PolarHBondContact OG-OE2 3.05Å; R56-E109 IonicContact NH1-OE1 2.94Å; R56-E109 PolarHBondContact NH1-OE1 3.36Å; R56-E109 IonicContact NH1-OE2 3.94Å; V105-E109 PolarHBondContact O-N 3.27Å; I106-E109 PolarHBondContact O-N 3.18Å; I106-E109 VanDerWaalsContact O-N 3.17Å; E109-A112 CarbonylContact O-C 3.5Å; E109-A112 WeakPolarHBondContact O-CB 3.46Å; E109-A112 PolarHBondContact O-N 3.41Å; E109-G113 PolarHBondContact O-N 3.49Å; E109-V114 WeakPolarHBondContact O-CB 3.22Å; E109-V114 PolarHBondContact O-N 2.88Å; E109-M119 HydrophobicContact CB-CE 3.51Å; E109-M119 HydrophobicContact CB-SD 4.2Å |
| 110 | I | 97.8 | Very high | 96.9 | Very high | 58 Ų | 58 | 44.1 Ų | 44.1 | 30% | 0.297 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 169.6 | -66.4 | 171.8 | 0 | 0 | 0 | 110.8 | I106 E108 A112 G113 V114 K116 M119 | I106-I110 HydrophobicContact CG2-CD1 4.03Å; I106-I110 HydrophobicContact CG2-CG1 4.49Å; I106-I110 WeakPolarHBondContact O-CG1 3.33Å; I106-I110 PolarHBondContact O-N 3.33Å; E108-I110 VanDerWaalsContact C-N 3.31Å; I110-A112 PolarHBondContact O-N 2.87Å; I110-G113 PolarHBondContact O-N 2.9Å; I110-V114 WeakPolarHBondContact CA-O 3.4Å; I110-K116 HydrophobicContact CD1-CG 4.1Å; I110-M119 HydrophobicContact CG1-CE 3.63Å |
| 111 | R | 97.1 | Very high | 97.1 | Very high | 184 Ų | 184 | 38.7 Ų | 38.7 | 69% | 0.694 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -63.8 | -26.3 | 176.2 | -78 | -178.4 | -76.5 | 140.8 | -12.8 | 113.2 | Q107 E108 G113 | Q107-R111 WeakPolarHBondContact O-CB 3.26Å; Q107-R111 WeakPolarHBondContact O-CG 3.3Å; Q107-R111 PolarHBondContact O-N 3.26Å; Q107-R111 PolarHBondContact O-NE 3.49Å; E108-R111 CarbonylContact O-C 3.52Å; E108-R111 PolarHBondContact O-N 3.32Å; R111-G113 PolarHBondContact O-N 2.84Å |
| 112 | A | 95.6 | Very high | 97.3 | Very high | 51 Ų | 51 | 36.8 Ų | 36.8 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 2.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E108 E109 I110 | E108-A112 WeakPolarHBondContact O-CB 3.34Å; E108-A112 PolarHBondContact O-N 2.92Å; E109-A112 CarbonylContact O-C 3.5Å; E109-A112 WeakPolarHBondContact O-CB 3.46Å; E109-A112 PolarHBondContact O-N 3.41Å; I110-A112 PolarHBondContact O-N 2.87Å |
| 113 | G | 96.8 | Very high | 97.3 | Very high | 63 Ų | 63 | 36.8 Ų | 36.8 | 65% | 0.649 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.5 | 9.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E109 I110 R111 P115 | E109-G113 PolarHBondContact O-N 3.49Å; I110-G113 PolarHBondContact O-N 2.9Å; R111-G113 PolarHBondContact O-N 2.84Å; G113-P115 WeakPolarHBondContact O-CD 3.34Å |
| 114 | V | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | trans | -95.6 | 114.4 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | H21 E109 I110 R118 M119 | H21-V114 VanDerWaalsContact CE1-CG2 3.46Å; H21-V114 WeakPolarHBondContact CE1-CG2 3.39Å; H21-V114 WeakPolarHBondContact NE2-CG2 3.28Å; E109-V114 WeakPolarHBondContact O-CB 3.22Å; E109-V114 PolarHBondContact O-N 2.88Å; I110-V114 WeakPolarHBondContact CA-O 3.4Å; V114-R118 HydrophobicContact CG1-CB 3.75Å; V114-M119 HydrophobicContact CB-CE 4.05Å; V114-M119 HydrophobicContact CG1-CE 4.01Å; V114-M119 HydrophobicContact CG1-CG 3.87Å; V114-M119 WeakPolarHBondContact O-CE 3.21Å | ||
| 115 | P | 97.8 | Very high | 97.7 | Very high | 52 Ų | 52 | 36.4 Ų | 36.4 | 34% | 0.338 | 19% | 0.193 | S | C | . | . | trans | -73.5 | 158 | 175.8 | 30.9 | -35.4 | 0 | 0 | 0 | 111.5 | G113 H117 R118 | G113-P115 WeakPolarHBondContact O-CD 3.34Å; P115-H117 VanDerWaalsContact C-N 3.3Å; P115-H117 WeakPolarHBondContact CG-CE1 3.36Å; P115-H117 PolarHBondContact O-N 2.61Å; P115-R118 HydrophobicContact CG-CB 4.06Å; P115-R118 HydrophobicContact CG-CG 3.63Å; P115-R118 WeakPolarHBondContact O-CA 3.49Å; P115-R118 WeakPolarHBondContact O-CB 3.37Å; P115-R118 PolarHBondContact O-N 2.94Å | ||
| 116 | K | 97.8 | Very high | 97.8 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -53.7 | -41.5 | -177 | -68.7 | -176.2 | -178.4 | -179.4 | 0 | 113.6 | I110 R118 M119 E141 V142 | I110-K116 HydrophobicContact CD1-CG 4.1Å; K116-R118 PolarHBondContact O-N 3.21Å; K116-M119 WeakPolarHBondContact O-CA 3.46Å; K116-M119 VanDerWaalsContact O-CB 3.31Å; K116-M119 WeakPolarHBondContact O-CB 3.13Å; K116-M119 PolarHBondContact O-N 3.27Å; K116-E141 CarbonylContact C-O 3.52Å; K116-E141 HydrophobicContact CB-CB 4.2Å; K116-E141 HydrophobicContact CD-CB 4.14Å; K116-E141 HydrophobicContact CD-CG 4.46Å; K116-E141 WeakPolarHBondContact CD-OE2 3.37Å; K116-E141 IonicContact NZ-OE1 3.5Å; K116-E141 PolarHBondContact NZ-OE1 3.25Å; K116-E141 IonicContact NZ-OE2 2.77Å; K116-E141 PolarHBondContact NZ-OE2 2.88Å; K116-V142 WeakPolarHBondContact O-CA 3.36Å |
| 117 | H | 97.9 | Very high | 97.9 | Very high | 123 Ų | 123 | 36.4 Ų | 36.4 | 57% | 0.569 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -68.2 | -1.5 | 178.2 | 69.4 | -97.2 | 0 | 0 | 0 | 113.9 | P115 E141 A143 | P115-H117 VanDerWaalsContact C-N 3.3Å; P115-H117 WeakPolarHBondContact CG-CE1 3.36Å; P115-H117 PolarHBondContact O-N 2.61Å; H117-E141 VanDerWaalsContact CA-O 3.23Å; H117-E141 WeakPolarHBondContact CA-O 3.47Å; H117-E141 PolarHBondContact N-O 3.02Å; H117-A143 WeakPolarHBondContact O-CB 3.47Å |
| 118 | R | 98.4 | Very high | 98 | Very high | 27 Ų | 27 | 31.9 Ų | 31.9 | 10% | 0.102 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -109.6 | 15.8 | 169.7 | -63.6 | -70.9 | -66.9 | 175.7 | -8.3 | 112 | S22 A23 S24 V114 P115 K116 L233 R234 D236 | S22-R118 PolarHBondContact O-NE 3.31Å; S22-R118 PolarHBondContact O-NH2 3.49Å; S22-R118 PolarHBondContact OG-NH2 3.16Å; A23-R118 VanDerWaalsContact CA-O 3.29Å; A23-R118 WeakPolarHBondContact CA-O 3.24Å; A23-R118 HydrophobicContact CB-CB 4.39Å; A23-R118 WeakPolarHBondContact CB-O 3.42Å; S24-R118 PolarHBondContact N-O 2.67Å; V114-R118 HydrophobicContact CG1-CB 3.75Å; P115-R118 HydrophobicContact CG-CB 4.06Å; P115-R118 HydrophobicContact CG-CG 3.63Å; P115-R118 WeakPolarHBondContact O-CA 3.49Å; P115-R118 WeakPolarHBondContact O-CB 3.37Å; P115-R118 PolarHBondContact O-N 2.94Å; K116-R118 PolarHBondContact O-N 3.21Å; R118-L233 VanDerWaalsContact C-CD2 3.44Å; R118-L233 WeakPolarHBondContact O-CD2 3.48Å; R118-R234 VanDerWaalsContact CZ-O 3.24Å; R118-R234 PolarHBondContact NH1-O 3.04Å; R118-R234 PolarHBondContact NH2-O 2.92Å; R118-D236 IonicContact CZ-OD1 3.3Å; R118-D236 IonicContact NE-OD1 2.83Å; R118-D236 IonicContact NH1-OD1 3.47Å; R118-D236 IonicContact NH2-OD1 3.86Å; R118-D236 PolarHBondContact NH2-OD1 3.4Å |
| 119 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142 | 177 | -55.7 | -173.9 | -172.3 | 0 | 0 | 111.1 | S24 I106 E109 I110 V114 K116 V142 A143 | S24-M119 CarbonylContact O-C 3.55Å; S24-M119 WeakPolarHBondContact O-CA 3.19Å; I106-M119 HydrophobicContact CG2-SD 4.06Å; E109-M119 HydrophobicContact CB-CE 3.51Å; E109-M119 HydrophobicContact CB-SD 4.2Å; I110-M119 HydrophobicContact CG1-CE 3.63Å; V114-M119 HydrophobicContact CB-CE 4.05Å; V114-M119 HydrophobicContact CG1-CE 4.01Å; V114-M119 HydrophobicContact CG1-CG 3.87Å; V114-M119 WeakPolarHBondContact O-CE 3.21Å; K116-M119 WeakPolarHBondContact O-CA 3.46Å; K116-M119 VanDerWaalsContact O-CB 3.31Å; K116-M119 WeakPolarHBondContact O-CB 3.13Å; K116-M119 PolarHBondContact O-N 3.27Å; M119-V142 HydrophobicContact CB-CG1 4.37Å; M119-V142 WeakPolarHBondContact O-CB 3.23Å; M119-A143 VanDerWaalsContact O-CB 3.28Å; M119-A143 WeakPolarHBondContact O-CB 3.26Å; M119-A143 PolarHBondContact O-N 3.45Å |
| 120 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.5 | 164.2 | -69.9 | 172.1 | 0 | 0 | 0 | 107.9 | S24 V25 I26 A143 G144 F146 W228 I229 K232 L233 | S24-I120 PolarHBondContact O-N 3.01Å; V25-I120 CarbonylContact C-O 3.56Å; V25-I120 WeakPolarHBondContact CA-O 3.47Å; V25-I120 HydrophobicContact CG2-CB 4.21Å; I26-I120 PolarHBondContact N-O 3.19Å; I120-A143 HydrophobicContact CG1-CB 4.08Å; I120-G144 WeakPolarHBondContact CA-O 3.49Å; I120-F146 HydrophobicContact CG2-CD1 3.58Å; I120-F146 HydrophobicContact CG2-CE1 3.89Å; I120-W228 HydrophobicContact CD1-CE3 4.47Å; I120-W228 HydrophobicContact CD1-CH2 4.38Å; I120-W228 HydrophobicContact CD1-CZ3 3.89Å; I120-W228 HydrophobicContact CG2-CH2 4.36Å; I120-W228 HydrophobicContact CG2-CZ3 3.95Å; I120-I229 HydrophobicContact CD1-CB 4.32Å; I120-I229 HydrophobicContact CD1-CG1 4.05Å; I120-I229 HydrophobicContact CD1-CG2 4.26Å; I120-K232 HydrophobicContact CD1-CB 3.85Å; I120-K232 HydrophobicContact CD1-CG 4.39Å; I120-L233 HydrophobicContact CB-CD1 4.38Å; I120-L233 HydrophobicContact CD1-CD1 3.62Å; I120-L233 HydrophobicContact CD1-CG 3.76Å; I120-L233 HydrophobicContact CG1-CD1 3.83Å; I120-L233 HydrophobicContact CG1-CD2 4.43Å; I120-L233 HydrophobicContact CG1-CG 4.08Å |
| 121 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.4 | 174.6 | -53.4 | 176.6 | 0 | 0 | 0 | 107.5 | I26 I106 A131 L134 H139 V142 G144 V145 F146 | I26-I121 HydrophobicContact CD1-CG1 4.45Å; I106-I121 HydrophobicContact CD1-CD1 3.68Å; I106-I121 HydrophobicContact CG1-CD1 4.4Å; I121-A131 HydrophobicContact CG2-CB 3.83Å; I121-L134 HydrophobicContact CD1-CD2 4.06Å; I121-L134 HydrophobicContact CD1-CG 4.15Å; I121-L134 HydrophobicContact CG2-CD2 4.07Å; I121-H139 HydrophobicContact CD1-CB 4.45Å; I121-V142 HydrophobicContact CD1-CG1 3.85Å; I121-V142 HydrophobicContact CG1-CG1 4.19Å; I121-G144 PolarHBondContact N-O 3.38Å; I121-V145 WeakPolarHBondContact O-CA 3.36Å; I121-V145 WeakPolarHBondContact O-CG2 3.33Å; I121-F146 PolarHBondContact O-N 3.48Å; I121-F146 VanDerWaalsContact O-N 3.14Å |
| 122 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.2 | -178.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I26 F27 L28 A131 F146 | I26-G122 PolarHBondContact O-N 3.24Å; I26-G122 VanDerWaalsContact O-O 3.13Å; F27-G122 CarbonylContact C-O 3.55Å; F27-G122 WeakPolarHBondContact CA-O 3.44Å; L28-G122 PolarHBondContact N-O 2.9Å; G122-A131 VanDerWaalsContact CA-CB 3.46Å; G122-F146 VanDerWaalsContact C-CE2 3.48Å; G122-F146 VanDerWaalsContact C-CZ 3.46Å; G122-F146 CarbonylContact C-O 3.53Å; G122-F146 VanDerWaalsContact CA-CE1 3.46Å; G122-F146 VanDerWaalsContact CA-CZ 3.49Å; G122-F146 WeakPolarHBondContact CA-O 3.25Å |
| 123 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | 179.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L28 G128 F146 L148 | L28-G123 CarbonylContact O-C 3.52Å; L28-G123 WeakPolarHBondContact O-CA 3.41Å; G123-G128 WeakPolarHBondContact O-CA 2.95Å; G123-F146 PolarHBondContact N-O 2.77Å; G123-F146 VanDerWaalsContact N-O 3.11Å; G123-L148 PolarHBondContact O-N 2.98Å |
| 124 | F | 98.9 | Very high | 98.6 | Very high | 10 Ų | 10 | 13.4 Ų | 13.4 | 4% | 0.044 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 136 | 176.8 | 176.6 | -97.4 | 0 | 0 | 0 | 110.7 | F27 L28 G30 W41 M126 G127 L148 H215 L217 | F27-F124 HydrophobicContact CE1-CB 4.24Å; L28-F124 PolarHBondContact O-N 3.3Å; G30-F124 WeakPolarHBondContact CA-O 3.46Å; G30-F124 PolarHBondContact N-O 3.18Å; W41-F124 HydrophobicContact CH2-CD1 4.27Å; W41-F124 HydrophobicContact CH2-CD2 4.47Å; W41-F124 AromaticContact CH2-CE1 3.77Å; W41-F124 HydrophobicContact CH2-CE1 3.77Å; W41-F124 AromaticContact CH2-CE2 3.98Å; W41-F124 HydrophobicContact CH2-CE2 3.98Å; W41-F124 AromaticContact CH2-CZ 3.61Å; W41-F124 HydrophobicContact CH2-CZ 3.61Å; W41-F124 AromaticContact CZ3-CD1 3.78Å; W41-F124 HydrophobicContact CZ3-CD1 3.78Å; W41-F124 HydrophobicContact CZ3-CD2 4.36Å; W41-F124 AromaticContact CZ3-CE1 3.71Å; W41-F124 HydrophobicContact CZ3-CE1 3.71Å; W41-F124 HydrophobicContact CZ3-CE2 4.29Å; W41-F124 HydrophobicContact CZ3-CG 4.12Å; W41-F124 AromaticContact CZ3-CZ 3.99Å; W41-F124 HydrophobicContact CZ3-CZ 3.99Å; F124-M126 PolarHBondContact O-N 2.89Å; F124-G127 WeakPolarHBondContact O-CA 3.48Å; F124-G127 PolarHBondContact O-N 2.82Å; F124-L148 CarbonylContact C-O 3.59Å; F124-L148 WeakPolarHBondContact CA-O 3.41Å; F124-L148 HydrophobicContact CD2-CB 4.02Å; F124-H215 AromaticContact CE1-CD2 3.99Å; F124-H215 AromaticContact CE1-NE2 3.69Å; F124-H215 AromaticContact CZ-CD2 3.71Å; F124-H215 AromaticContact CZ-NE2 3.64Å; F124-L217 HydrophobicContact CD2-CD2 3.57Å; F124-L217 HydrophobicContact CD2-CG 4.24Å; F124-L217 HydrophobicContact CE2-CD2 4.13Å; F124-L217 HydrophobicContact CG-CD2 4.32Å |
| 125 | S | 98.7 | Very high | 98.7 | Very high | 15 Ų | 15 | 13.4 Ų | 13.4 | 11% | 0.105 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -115.3 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 112.5 | G127 G128 A129 L148 S149 S150 H215 | S125-G127 PolarHBondContact O-N 2.92Å; S125-G128 PolarHBondContact O-N 3.34Å; S125-G128 VanDerWaalsContact O-N 3.13Å; S125-A129 PolarHBondContact O-N 2.76Å; S125-L148 PolarHBondContact N-O 3.2Å; S125-S149 WeakPolarHBondContact CA-O 3.42Å; S125-S150 PolarHBondContact N-OG 2.99Å; S125-S150 PolarHBondContact O-OG 3.44Å; S125-H215 VanDerWaalsContact CB-NE2 3.32Å; S125-H215 WeakPolarHBondContact CB-NE2 3.43Å; S125-H215 PolarHBondContact OG-CE1 3.34Å; S125-H215 VanDerWaalsContact OG-CE1 3.31Å; S125-H215 PolarHBondContact OG-NE2 3.1Å |
| 126 | M | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 2% | 0.015 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -55.2 | -35.1 | 174.5 | -172 | -176.8 | -81.4 | 0 | 0 | 113.1 | Y67 V77 W78 F79 F124 A129 M130 | Y67-M126 HydrophobicContact CE2-CE 3.62Å; Y67-M126 WeakPolarHBondContact OH-CE 3.4Å; V77-M126 HydrophobicContact CB-CE 3.87Å; V77-M126 HydrophobicContact CB-SD 3.59Å; V77-M126 VanDerWaalsContact CB-SD 3.59Å; V77-M126 HydrophobicContact CG1-CE 3.89Å; V77-M126 HydrophobicContact CG1-SD 4.01Å; W78-M126 HydrophobicContact CB-CG 4.26Å; W78-M126 HydrophobicContact CB-SD 4.15Å; W78-M126 PolarHBondContact N-SD 3.32Å; F79-M126 HydrophobicContact CD1-CG 4.08Å; F79-M126 HydrophobicContact CE1-CG 3.57Å; F79-M126 WeakPolarHBondContact CE1-O 3.5Å; F79-M126 HydrophobicContact CE2-CG 4.44Å; F79-M126 HydrophobicContact CZ-CG 3.78Å; F124-M126 PolarHBondContact O-N 2.89Å; M126-A129 PolarHBondContact O-N 2.79Å; M126-M130 WeakPolarHBondContact O-CB 3.15Å; M126-M130 PolarHBondContact O-N 2.84Å |
| 127 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | H29 F124 S125 M130 A131 | H29-G127 WeakPolarHBondContact O-CA 3.36Å; H29-G127 PolarHBondContact O-N 2.97Å; F124-G127 WeakPolarHBondContact O-CA 3.48Å; F124-G127 PolarHBondContact O-N 2.82Å; S125-G127 PolarHBondContact O-N 2.92Å; G127-M130 PolarHBondContact O-N 3.5Å; G127-A131 WeakPolarHBondContact O-CB 3.28Å; G127-A131 PolarHBondContact O-N 3.44Å |
| 128 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -70.1 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G123 S125 M130 A131 L132 S150 | G123-G128 WeakPolarHBondContact O-CA 2.95Å; S125-G128 PolarHBondContact O-N 3.34Å; S125-G128 VanDerWaalsContact O-N 3.13Å; G128-M130 PolarHBondContact O-N 3.41Å; G128-A131 WeakPolarHBondContact O-CB 3.49Å; G128-A131 PolarHBondContact O-N 3.01Å; G128-L132 WeakPolarHBondContact O-CG 3.34Å; G128-L132 PolarHBondContact O-N 3.25Å; G128-S150 WeakPolarHBondContact CA-OG 3.13Å |
| 129 | A | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.008 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F79 S125 M126 A131 L132 H133 F151 | F79-A129 HydrophobicContact CE1-CB 4.29Å; F79-A129 HydrophobicContact CZ-CB 3.9Å; S125-A129 PolarHBondContact O-N 2.76Å; M126-A129 PolarHBondContact O-N 2.79Å; A129-A131 VanDerWaalsContact C-N 3.32Å; A129-A131 PolarHBondContact O-N 3.33Å; A129-L132 PolarHBondContact O-N 3.29Å; A129-H133 PolarHBondContact O-CD2 3.47Å; A129-H133 VanDerWaalsContact O-CD2 3.29Å; A129-H133 PolarHBondContact O-N 2.9Å; A129-F151 WeakPolarHBondContact CB-O 3.44Å |
| 130 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 175.6 | -170.4 | 64.5 | -125.4 | 0 | 0 | 111.8 | L28 W78 F79 I95 M98 A99 L102 M126 G127 G128 H133 L134 | L28-M130 HydrophobicContact CD1-CB 3.9Å; L28-M130 HydrophobicContact CD1-CG 3.9Å; W78-M130 HydrophobicContact CB-CB 4.15Å; W78-M130 HydrophobicContact CB-CG 4.01Å; W78-M130 HydrophobicContact CB-SD 4.28Å; W78-M130 HydrophobicContact CG-CB 4.25Å; W78-M130 HydrophobicContact CG-CG 4.26Å; F79-M130 HydrophobicContact CD1-CB 4.21Å; F79-M130 HydrophobicContact CD1-SD 3.77Å; F79-M130 HydrophobicContact CE1-CB 3.93Å; F79-M130 HydrophobicContact CE1-SD 4.32Å; I95-M130 HydrophobicContact CG2-CE 4.18Å; I95-M130 HydrophobicContact CG2-SD 4.41Å; M98-M130 HydrophobicContact CB-CE 4.35Å; M98-M130 HydrophobicContact CB-SD 4Å; M98-M130 HydrophobicContact CG-CE 4.47Å; M98-M130 HydrophobicContact CG-CG 4.42Å; M98-M130 HydrophobicContact CG-SD 3.91Å; A99-M130 HydrophobicContact CB-CE 3.89Å; L102-M130 HydrophobicContact CD1-CE 4.28Å; L102-M130 HydrophobicContact CD1-CG 3.63Å; L102-M130 HydrophobicContact CD1-SD 4.48Å; M126-M130 WeakPolarHBondContact O-CB 3.15Å; M126-M130 PolarHBondContact O-N 2.84Å; G127-M130 PolarHBondContact O-N 3.5Å; G128-M130 PolarHBondContact O-N 3.41Å; M130-H133 HydrophobicContact CE-CB 4.23Å; M130-H133 PolarHBondContact O-N 3.32Å; M130-L134 HydrophobicContact CE-CB 4.49Å; M130-L134 WeakPolarHBondContact O-CB 3.46Å; M130-L134 PolarHBondContact O-N 3.44Å |
| 131 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L28 I121 G122 G127 G128 A129 L134 A135 V145 | L28-A131 HydrophobicContact CD1-CB 4.26Å; I121-A131 HydrophobicContact CG2-CB 3.83Å; G122-A131 VanDerWaalsContact CA-CB 3.46Å; G127-A131 WeakPolarHBondContact O-CB 3.28Å; G127-A131 PolarHBondContact O-N 3.44Å; G128-A131 WeakPolarHBondContact O-CB 3.49Å; G128-A131 PolarHBondContact O-N 3.01Å; A129-A131 VanDerWaalsContact C-N 3.32Å; A129-A131 PolarHBondContact O-N 3.33Å; A131-L134 PolarHBondContact O-N 3.13Å; A131-A135 VanDerWaalsContact O-CB 3.29Å; A131-A135 WeakPolarHBondContact O-CB 3.49Å; A131-A135 PolarHBondContact O-N 3.01Å; A131-V145 HydrophobicContact CB-CG2 4.11Å |
| 132 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 174.2 | -74.3 | 169.6 | 0 | 0 | 0 | 111.7 | G128 A129 C136 V145 A147 L152 L175 T194 L198 | G128-L132 WeakPolarHBondContact O-CG 3.34Å; G128-L132 PolarHBondContact O-N 3.25Å; A129-L132 PolarHBondContact O-N 3.29Å; L132-C136 VanDerWaalsContact O-CB 3.25Å; L132-C136 WeakPolarHBondContact O-CB 3.11Å; L132-C136 PolarHBondContact O-N 2.94Å; L132-C136 PolarHBondContact O-SG 2.88Å; L132-V145 HydrophobicContact CD2-CG1 4.26Å; L132-V145 HydrophobicContact CD2-CG2 4.09Å; L132-V145 HydrophobicContact CG-CG2 4.49Å; L132-A147 HydrophobicContact CD1-CB 4.29Å; L132-A147 HydrophobicContact CG-CB 4.49Å; L132-L152 HydrophobicContact CB-CD1 4.36Å; L132-L152 HydrophobicContact CB-CD2 4.13Å; L132-L152 HydrophobicContact CD1-CD1 3.97Å; L132-L152 HydrophobicContact CD1-CD2 4.18Å; L132-L152 HydrophobicContact CD1-CG 3.81Å; L132-L175 HydrophobicContact CD2-CD1 3.87Å; L132-L175 HydrophobicContact CD2-CD2 4.33Å; L132-T194 HydrophobicContact CD1-CG2 4.11Å; L132-L198 HydrophobicContact CD1-CD1 4.39Å; L132-L198 HydrophobicContact CD2-CD1 3.85Å |
| 133 | H | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.019 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | 173.6 | -81.1 | -75.1 | 0 | 0 | 0 | 112 | E90 I95 A129 M130 R137 V158 | E90-H133 IonicContact OE1-CE1 3.9Å; E90-H133 IonicContact OE2-CE1 3Å; E90-H133 PolarHBondContact OE2-CE1 3.43Å; E90-H133 IonicContact OE2-NE2 2.71Å; E90-H133 PolarHBondContact OE2-NE2 2.77Å; I95-H133 HydrophobicContact CG2-CB 3.91Å; A129-H133 PolarHBondContact O-CD2 3.47Å; A129-H133 VanDerWaalsContact O-CD2 3.29Å; A129-H133 PolarHBondContact O-N 2.9Å; M130-H133 HydrophobicContact CE-CB 4.23Å; M130-H133 PolarHBondContact O-N 3.32Å; H133-R137 PolarHBondContact ND1-NH1 2.9Å; H133-R137 VanDerWaalsContact O-CB 3.23Å; H133-R137 WeakPolarHBondContact O-CB 3.36Å; H133-R137 WeakPolarHBondContact O-CG 3.45Å; H133-R137 PolarHBondContact O-N 3.14Å; H133-V158 HydrophobicContact CB-CG2 4.37Å; H133-V158 WeakPolarHBondContact ND1-CG2 3.42Å |
| 134 | L | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | I | π-helix | trans | -65 | -50.1 | -175.7 | -172.1 | 60.8 | 0 | 0 | 0 | 111.8 | A99 L102 I106 I121 M130 A131 Y138 H139 | A99-L134 HydrophobicContact CB-CD1 4.16Å; L102-L134 HydrophobicContact CB-CD1 4.31Å; L102-L134 HydrophobicContact CB-CD2 3.64Å; L102-L134 HydrophobicContact CD1-CD2 4.01Å; L102-L134 HydrophobicContact CG-CD2 4.4Å; I106-L134 HydrophobicContact CD1-CD1 4.28Å; I106-L134 HydrophobicContact CD1-CD2 3.85Å; I106-L134 HydrophobicContact CD1-CG 4.07Å; I121-L134 HydrophobicContact CD1-CD2 4.06Å; I121-L134 HydrophobicContact CD1-CG 4.15Å; I121-L134 HydrophobicContact CG2-CD2 4.07Å; M130-L134 HydrophobicContact CE-CB 4.49Å; M130-L134 WeakPolarHBondContact O-CB 3.46Å; M130-L134 PolarHBondContact O-N 3.44Å; A131-L134 PolarHBondContact O-N 3.13Å; L134-Y138 WeakPolarHBondContact O-CB 3.33Å; L134-Y138 PolarHBondContact O-N 2.91Å; L134-Y138 VanDerWaalsContact O-N 3.12Å; L134-H139 VanDerWaalsContact CD1-CD2 3.47Å; L134-H139 WeakPolarHBondContact CD1-CD2 3.22Å; L134-H139 PolarHBondContact O-N 3.41Å |
| 135 | A | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.066 | C | C | . | . | I | π-helix | trans | -69.2 | -49.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A131 H139 P140 V142 V145 P173 | A131-A135 VanDerWaalsContact O-CB 3.29Å; A131-A135 WeakPolarHBondContact O-CB 3.49Å; A131-A135 PolarHBondContact O-N 3.01Å; A135-H139 CarbonylContact O-C 3.49Å; A135-H139 PolarHBondContact O-N 3.27Å; A135-H139 VanDerWaalsContact O-O 3.12Å; A135-P140 WeakPolarHBondContact O-CA 3.44Å; A135-V142 HydrophobicContact CB-CG2 3.91Å; A135-V145 HydrophobicContact CB-CB 4.01Å; A135-V145 HydrophobicContact CB-CG2 4.19Å; A135-P173 HydrophobicContact CB-CG 4.19Å |
| 136 | C | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -75.8 | -32.6 | -171.2 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | L132 V158 V162 R165 | L132-C136 VanDerWaalsContact O-CB 3.25Å; L132-C136 WeakPolarHBondContact O-CB 3.11Å; L132-C136 PolarHBondContact O-N 2.94Å; L132-C136 PolarHBondContact O-SG 2.88Å; C136-V158 HydrophobicContact CB-CG1 3.74Å; C136-V162 HydrophobicContact CB-CG2 3.79Å; C136-R165 PolarHBondContact O-NE 3.3Å |
| 137 | R | 97.8 | Very high | 98.4 | Very high | 46 Ų | 46 | 12.7 Ų | 12.7 | 17% | 0.174 | 6% | 0.06 | C | C | . | . | I | π-helix | trans | -91.9 | -46.5 | -176.7 | -57.4 | 168.1 | 62.9 | -158.4 | -8.3 | 111.8 | D96 H133 V157 V158 A161 R165 | D96-R137 IonicContact OD1-CZ 3.88Å; D96-R137 IonicContact OD1-NH1 3.09Å; D96-R137 PolarHBondContact OD1-NH1 3Å; D96-R137 IonicContact OD1-NH2 2.61Å; D96-R137 PolarHBondContact OD1-NH2 3.29Å; D96-R137 IonicContact OD2-NH2 3.31Å; H133-R137 PolarHBondContact ND1-NH1 2.9Å; H133-R137 VanDerWaalsContact O-CB 3.23Å; H133-R137 WeakPolarHBondContact O-CB 3.36Å; H133-R137 WeakPolarHBondContact O-CG 3.45Å; H133-R137 PolarHBondContact O-N 3.14Å; R137-V157 VanDerWaalsContact CZ-CG2 3.47Å; R137-V158 HydrophobicContact CG-CG2 4.31Å; R137-A161 HydrophobicContact CG-CB 3.97Å; R137-R165 PolarHBondContact O-NH2 2.75Å |
| 138 | Y | 97.6 | Very high | 98.4 | Very high | 76 Ų | 76 | 12.7 Ų | 12.7 | 30% | 0.298 | 6% | 0.06 | S | C | . | . | I | π-helix | trans | -108.4 | -29.9 | -166.4 | -59.4 | -83.7 | 0 | 0 | 0 | 114.4 | D96 A99 L134 | D96-Y138 PolarHBondContact OD1-OH 3.03Å; A99-Y138 HydrophobicContact CB-CD2 3.73Å; A99-Y138 HydrophobicContact CB-CE2 3.45Å; A99-Y138 VanDerWaalsContact CB-CE2 3.45Å; A99-Y138 HydrophobicContact CB-CG 4.39Å; L134-Y138 WeakPolarHBondContact O-CB 3.33Å; L134-Y138 PolarHBondContact O-N 2.91Å; L134-Y138 VanDerWaalsContact O-N 3.12Å |
| 139 | H | 97.3 | Very high | 98.4 | Very high | 19 Ų | 19 | 12.7 Ų | 12.7 | 9% | 0.088 | 6% | 0.06 | C | C | . | . | trans | -135.3 | 57.6 | -174.9 | -58 | -82.5 | 0 | 0 | 0 | 112.6 | I106 I121 L134 A135 E141 V142 | I106-H139 HydrophobicContact CD1-CB 4.43Å; I106-H139 WeakPolarHBondContact CD1-CD2 3.34Å; I106-H139 WeakPolarHBondContact CD1-NE2 3.28Å; I121-H139 HydrophobicContact CD1-CB 4.45Å; L134-H139 VanDerWaalsContact CD1-CD2 3.47Å; L134-H139 WeakPolarHBondContact CD1-CD2 3.22Å; L134-H139 PolarHBondContact O-N 3.41Å; A135-H139 CarbonylContact O-C 3.49Å; A135-H139 PolarHBondContact O-N 3.27Å; A135-H139 VanDerWaalsContact O-O 3.12Å; H139-E141 WeakPolarHBondContact CA-OE2 3.36Å; H139-E141 PolarHBondContact O-N 2.7Å; H139-E141 VanDerWaalsContact O-N 3.1Å; H139-V142 HydrophobicContact CB-CG1 4.08Å; H139-V142 WeakPolarHBondContact O-CG1 3.43Å; H139-V142 WeakPolarHBondContact O-CG2 3.37Å; H139-V142 PolarHBondContact O-N 3.35Å | ||
| 140 | P | 97.1 | Very high | 98.4 | Very high | 8 Ų | 8 | 12.7 Ų | 12.7 | 5% | 0.052 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13 | -175.1 | 32.9 | -43.1 | 0 | 0 | 0 | 113.7 | A135 V142 P173 | A135-P140 WeakPolarHBondContact O-CA 3.44Å; P140-V142 PolarHBondContact O-N 3.48Å; P140-P173 WeakPolarHBondContact O-CD 3.44Å |
| 141 | E | 97 | Very high | 98.4 | Very high | 82 Ų | 82 | 12.9 Ų | 12.9 | 38% | 0.383 | 6% | 0.061 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 4 | -177.5 | -39.3 | 95.3 | 127.6 | 0 | 0 | 113.2 | K116 H117 H139 | K116-E141 CarbonylContact C-O 3.52Å; K116-E141 HydrophobicContact CB-CB 4.2Å; K116-E141 HydrophobicContact CD-CB 4.14Å; K116-E141 HydrophobicContact CD-CG 4.46Å; K116-E141 WeakPolarHBondContact CD-OE2 3.37Å; K116-E141 IonicContact NZ-OE1 3.5Å; K116-E141 PolarHBondContact NZ-OE1 3.25Å; K116-E141 IonicContact NZ-OE2 2.77Å; K116-E141 PolarHBondContact NZ-OE2 2.88Å; H117-E141 VanDerWaalsContact CA-O 3.23Å; H117-E141 WeakPolarHBondContact CA-O 3.47Å; H117-E141 PolarHBondContact N-O 3.02Å; H139-E141 WeakPolarHBondContact CA-OE2 3.36Å; H139-E141 PolarHBondContact O-N 2.7Å; H139-E141 VanDerWaalsContact O-N 3.1Å |
| 142 | V | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 13 Ų | 13 | 4% | 0.042 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -68.5 | 152.3 | 176.3 | -63 | 0 | 0 | 0 | 0 | 111.7 | K116 M119 I121 A135 H139 P140 G144 P173 | K116-V142 WeakPolarHBondContact O-CA 3.36Å; M119-V142 HydrophobicContact CB-CG1 4.37Å; M119-V142 WeakPolarHBondContact O-CB 3.23Å; I121-V142 HydrophobicContact CD1-CG1 3.85Å; I121-V142 HydrophobicContact CG1-CG1 4.19Å; A135-V142 HydrophobicContact CB-CG2 3.91Å; H139-V142 HydrophobicContact CB-CG1 4.08Å; H139-V142 WeakPolarHBondContact O-CG1 3.43Å; H139-V142 WeakPolarHBondContact O-CG2 3.37Å; H139-V142 PolarHBondContact O-N 3.35Å; P140-V142 PolarHBondContact O-N 3.48Å; V142-G144 PolarHBondContact O-N 2.85Å; V142-P173 HydrophobicContact CG2-CB 3.82Å; V142-P173 HydrophobicContact CG2-CG 4.14Å |
| 143 | A | 98.5 | Very high | 98.4 | Very high | 23 Ų | 23 | 13.3 Ų | 13.3 | 19% | 0.19 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -63.6 | -24.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | H117 M119 I120 L233 | H117-A143 WeakPolarHBondContact O-CB 3.47Å; M119-A143 VanDerWaalsContact O-CB 3.28Å; M119-A143 WeakPolarHBondContact O-CB 3.26Å; M119-A143 PolarHBondContact O-N 3.45Å; I120-A143 HydrophobicContact CG1-CB 4.08Å; A143-L233 HydrophobicContact CB-CD2 3.74Å |
| 144 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | 166.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | I120 I121 V142 E174 | I120-G144 WeakPolarHBondContact CA-O 3.49Å; I121-G144 PolarHBondContact N-O 3.38Å; V142-G144 PolarHBondContact O-N 2.85Å; G144-E174 WeakPolarHBondContact CA-O 3.43Å |
| 145 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 141.8 | 170.9 | 56.6 | 0 | 0 | 0 | 0 | 110 | I121 A131 L132 A135 P173 E174 L175 F176 M203 W228 | I121-V145 WeakPolarHBondContact O-CA 3.36Å; I121-V145 WeakPolarHBondContact O-CG2 3.33Å; A131-V145 HydrophobicContact CB-CG2 4.11Å; L132-V145 HydrophobicContact CD2-CG1 4.26Å; L132-V145 HydrophobicContact CD2-CG2 4.09Å; L132-V145 HydrophobicContact CG-CG2 4.49Å; A135-V145 HydrophobicContact CB-CB 4.01Å; A135-V145 HydrophobicContact CB-CG2 4.19Å; V145-P173 HydrophobicContact CG1-CB 4.37Å; V145-P173 HydrophobicContact CG1-CG 4.2Å; V145-E174 PolarHBondContact N-O 3.21Å; V145-L175 HydrophobicContact CG1-CB 4.2Å; V145-L175 HydrophobicContact CG1-CD1 4.02Å; V145-L175 WeakPolarHBondContact O-CA 3.39Å; V145-F176 PolarHBondContact O-N 2.86Å; V145-M203 HydrophobicContact CG1-CE 3.4Å; V145-M203 VanDerWaalsContact CG1-CE 3.4Å; V145-W228 WeakPolarHBondContact O-CH2 3.38Å |
| 146 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 146.1 | 170 | 71.6 | -93.4 | 0 | 0 | 0 | 112.7 | V25 F27 I120 I121 G122 G123 L148 F176 L225 W228 | V25-F146 HydrophobicContact CG1-CE1 3.9Å; V25-F146 HydrophobicContact CG1-CZ 4.42Å; F27-F146 HydrophobicContact CB-CZ 4.3Å; F27-F146 HydrophobicContact CD1-CE2 4.49Å; F27-F146 HydrophobicContact CD1-CZ 4.39Å; F27-F146 AromaticContact CD2-CE2 3.95Å; F27-F146 HydrophobicContact CD2-CE2 3.95Å; F27-F146 AromaticContact CD2-CZ 3.51Å; F27-F146 HydrophobicContact CD2-CZ 3.51Å; F27-F146 HydrophobicContact CE1-CE2 4.31Å; F27-F146 AromaticContact CE2-CE2 3.75Å; F27-F146 HydrophobicContact CE2-CE2 3.75Å; F27-F146 AromaticContact CE2-CZ 3.8Å; F27-F146 HydrophobicContact CE2-CZ 3.8Å; F27-F146 HydrophobicContact CG-CE2 4.31Å; F27-F146 AromaticContact CG-CZ 3.82Å; F27-F146 HydrophobicContact CG-CZ 3.82Å; F27-F146 AromaticContact CZ-CE2 3.93Å; F27-F146 HydrophobicContact CZ-CE2 3.93Å; F27-F146 HydrophobicContact CZ-CZ 4.34Å; I120-F146 HydrophobicContact CG2-CD1 3.58Å; I120-F146 HydrophobicContact CG2-CE1 3.89Å; I121-F146 PolarHBondContact O-N 3.48Å; I121-F146 VanDerWaalsContact O-N 3.14Å; G122-F146 VanDerWaalsContact C-CE2 3.48Å; G122-F146 VanDerWaalsContact C-CZ 3.46Å; G122-F146 CarbonylContact C-O 3.53Å; G122-F146 VanDerWaalsContact CA-CE1 3.46Å; G122-F146 VanDerWaalsContact CA-CZ 3.49Å; G122-F146 WeakPolarHBondContact CA-O 3.25Å; G123-F146 PolarHBondContact N-O 2.77Å; G123-F146 VanDerWaalsContact N-O 3.11Å; F146-L148 HydrophobicContact CD2-CD1 4.49Å; F146-L148 HydrophobicContact CD2-CD2 4.37Å; F146-L148 HydrophobicContact CD2-CG 4.07Å; F146-L148 HydrophobicContact CE2-CD1 4.46Å; F146-L148 HydrophobicContact CE2-CG 4.44Å; F146-F176 CarbonylContact C-O 3.57Å; F146-F176 WeakPolarHBondContact CA-O 3.37Å; F146-F176 HydrophobicContact CB-CB 4.02Å; F146-F176 HydrophobicContact CB-CD1 4.1Å; F146-F176 HydrophobicContact CB-CG 4.48Å; F146-F176 WeakPolarHBondContact CB-O 3.38Å; F146-L225 HydrophobicContact CB-CD1 3.71Å; F146-L225 HydrophobicContact CD1-CD1 3.93Å; F146-L225 HydrophobicContact CD2-CD1 4.02Å; F146-L225 HydrophobicContact CD2-CD2 3.9Å; F146-L225 HydrophobicContact CE2-CD2 3.92Å; F146-L225 HydrophobicContact CG-CD1 3.61Å; F146-L225 HydrophobicContact CG-CD2 4.29Å; F146-L225 HydrophobicContact CZ-CD2 4.34Å; F146-W228 HydrophobicContact CB-CZ3 4.15Å; F146-W228 HydrophobicContact CD1-CZ3 4.38Å |
| 147 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 117.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L132 L175 F176 Q177 G178 | L132-A147 HydrophobicContact CD1-CB 4.29Å; L132-A147 HydrophobicContact CG-CB 4.49Å; A147-L175 HydrophobicContact CB-CD1 4.28Å; A147-F176 PolarHBondContact N-O 3.45Å; A147-Q177 HydrophobicContact CB-CG 4.31Å; A147-Q177 VanDerWaalsContact O-CA 3.28Å; A147-Q177 WeakPolarHBondContact O-CA 3.27Å; A147-Q177 WeakPolarHBondContact O-CG 3.47Å; A147-G178 PolarHBondContact O-N 3.39Å |
| 148 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 127 | 180 | -50.6 | -179.6 | 0 | 0 | 0 | 109 | F27 G123 F124 S125 F146 S150 F176 G178 L217 E221 I222 L225 | F27-L148 HydrophobicContact CZ-CD1 4.06Å; G123-L148 PolarHBondContact O-N 2.98Å; F124-L148 CarbonylContact C-O 3.59Å; F124-L148 WeakPolarHBondContact CA-O 3.41Å; F124-L148 HydrophobicContact CD2-CB 4.02Å; S125-L148 PolarHBondContact N-O 3.2Å; F146-L148 HydrophobicContact CD2-CD1 4.49Å; F146-L148 HydrophobicContact CD2-CD2 4.37Å; F146-L148 HydrophobicContact CD2-CG 4.07Å; F146-L148 HydrophobicContact CE2-CD1 4.46Å; F146-L148 HydrophobicContact CE2-CG 4.44Å; L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 2.96Å; L148-S150 PolarHBondContact O-OG 3.2Å; L148-F176 HydrophobicContact CD2-CD1 4.38Å; L148-F176 HydrophobicContact CD2-CE1 4.04Å; L148-G178 CarbonylContact C-O 3.52Å; L148-G178 WeakPolarHBondContact CA-O 3.33Å; L148-L217 HydrophobicContact CB-CD2 4.43Å; L148-L217 HydrophobicContact CD1-CD2 3.58Å; L148-E221 HydrophobicContact CD2-CG 4.11Å; L148-I222 HydrophobicContact CD1-CD1 4.3Å; L148-L225 HydrophobicContact CD1-CD2 4.07Å; L148-L225 HydrophobicContact CD2-CD2 4.44Å |
| 149 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 48 | 46.5 | -179.3 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | S125 G178 H179 H215 | S125-S149 WeakPolarHBondContact CA-O 3.42Å; S149-G178 PolarHBondContact N-O 3.2Å; S149-H179 VanDerWaalsContact C-CE1 3.46Å; S149-H215 PolarHBondContact O-CE1 3.25Å |
| 150 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -125 | 160.5 | -168.2 | -61.2 | 0 | 0 | 0 | 0 | 112 | S125 G128 L148 Q177 | S125-S150 PolarHBondContact N-OG 2.99Å; S125-S150 PolarHBondContact O-OG 3.44Å; G128-S150 WeakPolarHBondContact CA-OG 3.13Å; L148-S150 VanDerWaalsContact C-N 3.26Å; L148-S150 PolarHBondContact O-N 2.96Å; L148-S150 PolarHBondContact O-OG 3.2Å; S150-Q177 PolarHBondContact O-NE2 3.38Å | ||
| 151 | F | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 25 Ų | 25 | 2% | 0.022 | 13% | 0.128 | C | C | . | . | trans | -149.3 | 156.3 | 174.9 | 73.6 | -78.4 | 0 | 0 | 0 | 111.7 | R81 H86 A129 V186 W190 T194 | R81-F151 VanDerWaalsContact CZ-CZ 3.5Å; R81-F151 VanDerWaalsContact NH1-CZ 3.32Å; H86-F151 VanDerWaalsContact CA-CE2 3.5Å; H86-F151 HydrophobicContact CB-CD2 3.56Å; H86-F151 HydrophobicContact CB-CE2 3.82Å; A129-F151 WeakPolarHBondContact CB-O 3.44Å; F151-V186 HydrophobicContact CB-CG1 4.27Å; F151-V186 HydrophobicContact CD1-CB 4.46Å; F151-V186 HydrophobicContact CD1-CG1 3.45Å; F151-V186 VanDerWaalsContact CD1-CG1 3.45Å; F151-V186 HydrophobicContact CD1-CG2 4.19Å; F151-V186 HydrophobicContact CE1-CG1 4.17Å; F151-V186 HydrophobicContact CE1-CG2 4.19Å; F151-V186 HydrophobicContact CG-CG1 4.22Å; F151-W190 HydrophobicContact CB-CB 3.73Å; F151-W190 HydrophobicContact CD1-CE3 4.04Å; F151-W190 HydrophobicContact CD2-CE3 4.38Å; F151-W190 HydrophobicContact CE1-CE3 4.06Å; F151-W190 HydrophobicContact CE1-CZ3 4.27Å; F151-W190 HydrophobicContact CE2-CE3 4.45Å; F151-W190 HydrophobicContact CG-CB 4.17Å; F151-W190 HydrophobicContact CG-CE3 4.17Å; F151-W190 HydrophobicContact CZ-CE3 4.26Å; F151-W190 HydrophobicContact CZ-CZ3 4.35Å; F151-T194 WeakPolarHBondContact CA-OG1 3.35Å | ||
| 152 | L | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | trans | -103 | 153.8 | 164.3 | -67.9 | 174 | 0 | 0 | 0 | 110.2 | L132 V158 Y159 T194 L198 | L132-L152 HydrophobicContact CB-CD1 4.36Å; L132-L152 HydrophobicContact CB-CD2 4.13Å; L132-L152 HydrophobicContact CD1-CD1 3.97Å; L132-L152 HydrophobicContact CD1-CD2 4.18Å; L132-L152 HydrophobicContact CD1-CG 3.81Å; L152-V158 HydrophobicContact CD1-CB 3.78Å; L152-V158 HydrophobicContact CD1-CG1 3.77Å; L152-V158 HydrophobicContact CD1-CG2 4.22Å; L152-V158 HydrophobicContact CD2-CG2 4.16Å; L152-Y159 HydrophobicContact CB-CE2 4.46Å; L152-Y159 WeakPolarHBondContact CB-OH 3.47Å; L152-Y159 HydrophobicContact CD1-CE1 3.97Å; L152-T194 HydrophobicContact CB-CG2 3.96Å; L152-T194 HydrophobicContact CD1-CG2 3.95Å; L152-T194 HydrophobicContact CG-CG2 3.83Å; L152-T194 PolarHBondContact N-OG1 2.92Å; L152-L198 HydrophobicContact CD1-CD1 4.28Å; L152-L198 HydrophobicContact CD1-CD2 4.31Å | ||
| 153 | N | 98.4 | Very high | 98.3 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.032 | 13% | 0.13 | C | C | . | . | trans | -70.9 | 148.1 | 173.7 | -73.2 | 79.9 | 0 | 0 | 0 | 110.3 | R81 S85 H86 C88 E90 D155 S156 Y159 | R81-N153 PolarHBondContact NH1-OD1 3.46Å; R81-N153 VanDerWaalsContact NH1-OD1 3.11Å; S85-N153 PolarHBondContact O-ND2 3.11Å; H86-N153 WeakPolarHBondContact O-CA 3.44Å; H86-N153 PolarHBondContact O-ND2 2.85Å; C88-N153 WeakPolarHBondContact O-CB 3.42Å; C88-N153 PolarHBondContact O-ND2 3.17Å; C88-N153 PolarHBondContact SG-ND2 3.35Å; E90-N153 HydrophobicContact CB-CB 4.28Å; N153-D155 VanDerWaalsContact C-N 3.27Å; N153-D155 PolarHBondContact O-N 2.73Å; N153-D155 VanDerWaalsContact O-N 3.13Å; N153-S156 WeakPolarHBondContact O-CB 3.21Å; N153-S156 PolarHBondContact O-N 2.63Å; N153-Y159 VanDerWaalsContact O-CE2 3.3Å; N153-Y159 WeakPolarHBondContact O-CE2 3.35Å | ||
| 154 | K | 94.9 | Very high | 98.3 | Very high | 84 Ų | 84 | 29.8 Ų | 29.8 | 37% | 0.365 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -40.4 | -169.5 | -72.7 | -176.1 | -175.6 | 167.1 | 0 | 114.8 | H86 D87 Y159 | H86-K154 WeakPolarHBondContact CD2-CE 3.44Å; H86-K154 WeakPolarHBondContact NE2-CE 3.47Å; H86-K154 PolarHBondContact O-N 3.47Å; D87-K154 WeakPolarHBondContact OD1-CD 3.39Å; D87-K154 WeakPolarHBondContact OD1-CE 3.37Å; D87-K154 IonicContact OD1-NZ 3.67Å; D87-K154 PolarHBondContact OD1-NZ 2.64Å; D87-K154 IonicContact OD2-NZ 3.95Å; K154-Y159 VanDerWaalsContact O-CE2 3.26Å; K154-Y159 WeakPolarHBondContact O-CE2 3.49Å |
| 155 | D | 94.7 | Very high | 98.2 | Very high | 131 Ų | 131 | 33 Ų | 33 | 70% | 0.701 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 25.5 | -179.2 | -58.3 | -46.4 | 0 | 0 | 0 | 112.2 | N153 V157 | N153-D155 VanDerWaalsContact C-N 3.27Å; N153-D155 PolarHBondContact O-N 2.73Å; N153-D155 VanDerWaalsContact O-N 3.13Å; D155-V157 PolarHBondContact O-N 2.83Å |
| 156 | S | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | trans | -56.6 | 136.2 | -176.2 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | E90 N153 V158 Y159 | E90-S156 WeakPolarHBondContact OE2-CA 3.04Å; E90-S156 VanDerWaalsContact OE2-CB 3.28Å; E90-S156 WeakPolarHBondContact OE2-CB 3.35Å; E90-S156 PolarHBondContact OE2-OG 3.31Å; N153-S156 WeakPolarHBondContact O-CB 3.21Å; N153-S156 PolarHBondContact O-N 2.63Å; S156-V158 PolarHBondContact O-N 3.3Å; S156-V158 PolarHBondContact OG-N 3.47Å; S156-Y159 WeakPolarHBondContact O-CD2 3.44Å; S156-Y159 PolarHBondContact O-N 2.99Å; S156-Y159 VanDerWaalsContact O-N 3.12Å | ||
| 157 | V | 98.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 43 Ų | 43 | 20% | 0.2 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.7 | -14.4 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 112.6 | E90 L92 R137 D155 Q160 A161 | E90-V157 WeakPolarHBondContact OE1-CG2 3.16Å; E90-V157 PolarHBondContact OE1-N 2.89Å; L92-V157 HydrophobicContact CD1-CG1 3.96Å; L92-V157 HydrophobicContact CD2-CG1 4.16Å; L92-V157 HydrophobicContact CD2-CG2 3.78Å; R137-V157 VanDerWaalsContact CZ-CG2 3.47Å; D155-V157 PolarHBondContact O-N 2.83Å; V157-Q160 PolarHBondContact O-N 3.42Å; V157-A161 WeakPolarHBondContact O-CB 3.43Å; V157-A161 PolarHBondContact O-N 3.2Å |
| 158 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 174.3 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | H133 C136 R137 L152 S156 Q160 A161 V162 L198 | H133-V158 HydrophobicContact CB-CG2 4.37Å; H133-V158 WeakPolarHBondContact ND1-CG2 3.42Å; C136-V158 HydrophobicContact CB-CG1 3.74Å; R137-V158 HydrophobicContact CG-CG2 4.31Å; L152-V158 HydrophobicContact CD1-CB 3.78Å; L152-V158 HydrophobicContact CD1-CG1 3.77Å; L152-V158 HydrophobicContact CD1-CG2 4.22Å; L152-V158 HydrophobicContact CD2-CG2 4.16Å; S156-V158 PolarHBondContact O-N 3.3Å; S156-V158 PolarHBondContact OG-N 3.47Å; V158-Q160 VanDerWaalsContact C-N 3.31Å; V158-Q160 PolarHBondContact O-N 2.96Å; V158-A161 PolarHBondContact O-N 2.79Å; V158-V162 HydrophobicContact CG1-CG2 4.29Å; V158-V162 VanDerWaalsContact O-CG2 3.31Å; V158-V162 WeakPolarHBondContact O-CG2 3.42Å; V158-V162 PolarHBondContact O-N 3.04Å; V158-L198 HydrophobicContact CG1-CD2 3.82Å |
| 159 | Y | 98.7 | Very high | 97.8 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 179.6 | -56.5 | -54.5 | 0 | 0 | 0 | 111 | L152 N153 K154 S156 V162 E163 L197 L198 | L152-Y159 HydrophobicContact CB-CE2 4.46Å; L152-Y159 WeakPolarHBondContact CB-OH 3.47Å; L152-Y159 HydrophobicContact CD1-CE1 3.97Å; N153-Y159 VanDerWaalsContact O-CE2 3.3Å; N153-Y159 WeakPolarHBondContact O-CE2 3.35Å; K154-Y159 VanDerWaalsContact O-CE2 3.26Å; K154-Y159 WeakPolarHBondContact O-CE2 3.49Å; S156-Y159 WeakPolarHBondContact O-CD2 3.44Å; S156-Y159 PolarHBondContact O-N 2.99Å; S156-Y159 VanDerWaalsContact O-N 3.12Å; Y159-V162 PolarHBondContact O-N 2.78Å; Y159-E163 WeakPolarHBondContact O-CB 3.4Å; Y159-E163 PolarHBondContact O-N 2.85Å; Y159-L197 HydrophobicContact CD1-CB 3.7Å; Y159-L197 HydrophobicContact CE1-CB 3.34Å; Y159-L197 HydrophobicContact CE1-CD1 4.19Å; Y159-L197 HydrophobicContact CE1-CG 4.41Å; Y159-L197 HydrophobicContact CE2-CB 4.38Å; Y159-L197 HydrophobicContact CE2-CD1 3.85Å; Y159-L197 HydrophobicContact CG-CB 4.37Å; Y159-L198 HydrophobicContact CD1-CD2 3.84Å; Y159-L198 HydrophobicContact CD1-CG 4.07Å; Y159-L198 HydrophobicContact CE1-CD2 4.09Å; Y159-L198 HydrophobicContact CE1-CG 3.9Å |
| 160 | Q | 98.3 | Very high | 97.6 | Very high | 107 Ų | 107 | 52 Ų | 52 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 177.2 | -60.7 | 173.4 | 19.2 | 0 | 0 | 111.1 | V157 V158 V162 E163 E164 | V157-Q160 PolarHBondContact O-N 3.42Å; V158-Q160 VanDerWaalsContact C-N 3.31Å; V158-Q160 PolarHBondContact O-N 2.96Å; Q160-V162 VanDerWaalsContact C-N 3.32Å; Q160-V162 PolarHBondContact O-N 3.28Å; Q160-E163 PolarHBondContact O-N 2.86Å; Q160-E164 WeakPolarHBondContact O-CG 3.44Å; Q160-E164 PolarHBondContact O-N 3.02Å |
| 161 | A | 98.3 | Very high | 97.2 | Very high | 17 Ų | 17 | 56 Ų | 56 | 14% | 0.14 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R137 V157 V158 R165 | R137-A161 HydrophobicContact CG-CB 3.97Å; V157-A161 WeakPolarHBondContact O-CB 3.43Å; V157-A161 PolarHBondContact O-N 3.2Å; V158-A161 PolarHBondContact O-N 2.79Å; A161-R165 WeakPolarHBondContact O-CB 3.28Å; A161-R165 VanDerWaalsContact O-CG 3.23Å; A161-R165 WeakPolarHBondContact O-CG 3.38Å; A161-R165 PolarHBondContact O-N 3.17Å |
| 162 | V | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 175 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | C136 V158 Y159 Q160 E164 R165 A166 L172 L198 A201 M203 | C136-V162 HydrophobicContact CB-CG2 3.79Å; V158-V162 HydrophobicContact CG1-CG2 4.29Å; V158-V162 VanDerWaalsContact O-CG2 3.31Å; V158-V162 WeakPolarHBondContact O-CG2 3.42Å; V158-V162 PolarHBondContact O-N 3.04Å; Y159-V162 PolarHBondContact O-N 2.78Å; Q160-V162 VanDerWaalsContact C-N 3.32Å; Q160-V162 PolarHBondContact O-N 3.28Å; V162-E164 PolarHBondContact O-N 3.49Å; V162-R165 PolarHBondContact O-N 2.91Å; V162-A166 WeakPolarHBondContact O-CB 3.14Å; V162-A166 PolarHBondContact O-N 2.97Å; V162-L172 HydrophobicContact CB-CD2 4.48Å; V162-L172 HydrophobicContact CG1-CD1 3.9Å; V162-L172 HydrophobicContact CG1-CD2 4.3Å; V162-L172 HydrophobicContact CG2-CD2 4.26Å; V162-L198 HydrophobicContact CG2-CD2 3.97Å; V162-A201 HydrophobicContact CB-CB 3.98Å; V162-A201 HydrophobicContact CG1-CB 3.6Å; V162-M203 HydrophobicContact CG1-CB 3.8Å |
| 163 | E | 98.4 | Very high | 97.1 | Very high | 96 Ų | 96 | 57.8 Ų | 57.8 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | -179.7 | -166.4 | -168.8 | 163.2 | 0 | 0 | 112.2 | Y159 Q160 R165 A166 R167 A201 | Y159-E163 WeakPolarHBondContact O-CB 3.4Å; Y159-E163 PolarHBondContact O-N 2.85Å; Q160-E163 PolarHBondContact O-N 2.86Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 3.21Å; E163-A166 PolarHBondContact O-N 3.11Å; E163-R167 VanDerWaalsContact CD-NH2 3.32Å; E163-R167 WeakPolarHBondContact O-CB 3.32Å; E163-R167 PolarHBondContact O-N 3.48Å; E163-R167 IonicContact OE1-NH2 2.86Å; E163-R167 PolarHBondContact OE1-NH2 3Å; E163-A201 WeakPolarHBondContact CA-O 3.34Å; E163-A201 HydrophobicContact CB-CB 4.2Å |
| 164 | E | 98.1 | Very high | 97.1 | Very high | 117 Ų | 117 | 59.7 Ų | 59.7 | 55% | 0.547 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.2 | -73 | 174.4 | 173.3 | 0 | 0 | 111.9 | Q160 V162 R167 A168 | Q160-E164 WeakPolarHBondContact O-CG 3.44Å; Q160-E164 PolarHBondContact O-N 3.02Å; V162-E164 PolarHBondContact O-N 3.49Å; E164-R167 PolarHBondContact O-N 3.4Å; E164-A168 WeakPolarHBondContact O-CB 3.43Å; E164-A168 PolarHBondContact O-N 3.24Å |
| 165 | R | 97.3 | Very high | 97.3 | Very high | 68 Ų | 68 | 55.7 Ų | 55.7 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 177.7 | -75.1 | -179.2 | -175.6 | -62.2 | -1.6 | 112.2 | C136 R137 A161 V162 E163 R167 A168 G169 S170 L172 | C136-R165 PolarHBondContact O-NE 3.3Å; R137-R165 PolarHBondContact O-NH2 2.75Å; A161-R165 WeakPolarHBondContact O-CB 3.28Å; A161-R165 VanDerWaalsContact O-CG 3.23Å; A161-R165 WeakPolarHBondContact O-CG 3.38Å; A161-R165 PolarHBondContact O-N 3.17Å; V162-R165 PolarHBondContact O-N 2.91Å; E163-R165 VanDerWaalsContact C-N 3.34Å; E163-R165 PolarHBondContact O-N 3.21Å; R165-R167 VanDerWaalsContact C-N 3.32Å; R165-R167 PolarHBondContact O-N 3.13Å; R165-A168 CarbonylContact O-C 3.56Å; R165-A168 PolarHBondContact O-N 3.26Å; R165-G169 PolarHBondContact O-N 2.89Å; R165-G169 VanDerWaalsContact O-N 3.13Å; R165-S170 PolarHBondContact O-N 3.11Å; R165-L172 HydrophobicContact CB-CD2 3.87Å; R165-L172 HydrophobicContact CB-CG 4.22Å; R165-L172 HydrophobicContact CG-CD2 4.49Å |
| 166 | A | 97.4 | Very high | 97.5 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V162 E163 A168 G169 L172 A201 | V162-A166 WeakPolarHBondContact O-CB 3.14Å; V162-A166 PolarHBondContact O-N 2.97Å; E163-A166 PolarHBondContact O-N 3.11Å; A166-A168 VanDerWaalsContact C-N 3.28Å; A166-A168 PolarHBondContact O-N 3.03Å; A166-G169 PolarHBondContact O-N 3.05Å; A166-L172 HydrophobicContact CB-CD1 4.04Å; A166-A201 WeakPolarHBondContact CB-O 3.01Å |
| 167 | R | 97.5 | Very high | 97.5 | Very high | 171 Ų | 171 | 49.5 Ų | 49.5 | 65% | 0.645 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.8 | -35.7 | 176.3 | -165.5 | -174.1 | -55.1 | 134.5 | 2 | 112.5 | E163 E164 R165 G169 | E163-R167 VanDerWaalsContact CD-NH2 3.32Å; E163-R167 WeakPolarHBondContact O-CB 3.32Å; E163-R167 PolarHBondContact O-N 3.48Å; E163-R167 IonicContact OE1-NH2 2.86Å; E163-R167 PolarHBondContact OE1-NH2 3Å; E164-R167 PolarHBondContact O-N 3.4Å; R165-R167 VanDerWaalsContact C-N 3.32Å; R165-R167 PolarHBondContact O-N 3.13Å; R167-G169 VanDerWaalsContact C-N 3.26Å; R167-G169 PolarHBondContact O-N 2.75Å |
| 168 | A | 97.2 | Very high | 97.5 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 60% | 0.595 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -0.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | E164 R165 A166 S170 | E164-A168 WeakPolarHBondContact O-CB 3.43Å; E164-A168 PolarHBondContact O-N 3.24Å; R165-A168 CarbonylContact O-C 3.56Å; R165-A168 PolarHBondContact O-N 3.26Å; A166-A168 VanDerWaalsContact C-N 3.28Å; A166-A168 PolarHBondContact O-N 3.03Å; A168-S170 PolarHBondContact O-N 3.35Å |
| 169 | G | 95.3 | Very high | 97.5 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 71% | 0.711 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 20.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R165 A166 R167 | R165-G169 PolarHBondContact O-N 2.89Å; R165-G169 VanDerWaalsContact O-N 3.13Å; A166-G169 PolarHBondContact O-N 3.05Å; R167-G169 VanDerWaalsContact C-N 3.26Å; R167-G169 PolarHBondContact O-N 2.75Å |
| 170 | S | 93.9 | Very high | 97.5 | Very high | 47 Ų | 47 | 46.7 Ų | 46.7 | 33% | 0.329 | 26% | 0.263 | S | S | . | . | trans | -77.9 | 150.7 | 178.8 | -67.7 | 0 | 0 | 0 | 0 | 111 | R165 A168 | R165-S170 PolarHBondContact O-N 3.11Å; A168-S170 PolarHBondContact O-N 3.35Å | ||
| 171 | P | 91 | Very high | 97.5 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 56% | 0.558 | 26% | 0.258 | S | S | * | . | trans | -61.1 | 144.6 | 177.8 | 25.6 | -33.9 | 0 | 0 | 0 | 111.3 | ||||
| 172 | L | 97.3 | Very high | 97.6 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | trans | -129.6 | 141.2 | 172.1 | -75.2 | 168.5 | 0 | 0 | 0 | 108.5 | V162 R165 A166 | V162-L172 HydrophobicContact CB-CD2 4.48Å; V162-L172 HydrophobicContact CG1-CD1 3.9Å; V162-L172 HydrophobicContact CG1-CD2 4.3Å; V162-L172 HydrophobicContact CG2-CD2 4.26Å; R165-L172 HydrophobicContact CB-CD2 3.87Å; R165-L172 HydrophobicContact CB-CG 4.22Å; R165-L172 HydrophobicContact CG-CD2 4.49Å; A166-L172 HydrophobicContact CB-CD1 4.04Å | ||
| 173 | P | 98 | Very high | 97.6 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 152.7 | 174.1 | 28.2 | -29.1 | 0 | 0 | 0 | 110.1 | A135 P140 V142 V145 M203 | A135-P173 HydrophobicContact CB-CG 4.19Å; P140-P173 WeakPolarHBondContact O-CD 3.44Å; V142-P173 HydrophobicContact CG2-CB 3.82Å; V142-P173 HydrophobicContact CG2-CG 4.14Å; V145-P173 HydrophobicContact CG1-CB 4.37Å; V145-P173 HydrophobicContact CG1-CG 4.2Å; P173-M203 HydrophobicContact CG-CE 3.97Å; P173-M203 WeakPolarHBondContact O-CE 3.3Å; P173-M203 WeakPolarHBondContact O-CG 2.93Å |
| 174 | E | 98.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 48.1 Ų | 48.1 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 139.6 | 168.2 | -175.2 | 178.6 | 111 | 0 | 0 | 110.3 | G144 V145 T204 W228 K232 | G144-E174 WeakPolarHBondContact CA-O 3.43Å; V145-E174 PolarHBondContact N-O 3.21Å; E174-T204 WeakPolarHBondContact CA-O 3.48Å; E174-T204 HydrophobicContact CG-CG2 3.9Å; E174-W228 PolarHBondContact OE1-NE1 2.99Å; E174-K232 WeakPolarHBondContact OE1-CE 3.43Å; E174-K232 IonicContact OE1-NZ 3.35Å; E174-K232 PolarHBondContact OE1-NZ 2.81Å; E174-K232 IonicContact OE2-NZ 2.75Å; E174-K232 PolarHBondContact OE2-NZ 2.98Å |
| 175 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.8 | 174 | 173.7 | 61.6 | 0 | 0 | 0 | 111.9 | L132 V145 A147 Q177 L198 M203 T204 T205 T206 | L132-L175 HydrophobicContact CD2-CD1 3.87Å; L132-L175 HydrophobicContact CD2-CD2 4.33Å; V145-L175 HydrophobicContact CG1-CB 4.2Å; V145-L175 HydrophobicContact CG1-CD1 4.02Å; V145-L175 WeakPolarHBondContact O-CA 3.39Å; A147-L175 HydrophobicContact CB-CD1 4.28Å; L175-Q177 HydrophobicContact CD1-CB 4.23Å; L175-Q177 HydrophobicContact CD2-CB 4.29Å; L175-Q177 HydrophobicContact CG-CB 4.15Å; L175-L198 HydrophobicContact CD2-CD1 3.59Å; L175-M203 HydrophobicContact CB-CE 3.74Å; L175-M203 HydrophobicContact CB-SD 4.1Å; L175-T204 PolarHBondContact N-O 2.93Å; L175-T205 HydrophobicContact CB-CG2 4.02Å; L175-T205 HydrophobicContact CD2-CG2 3.97Å; L175-T205 CarbonylContact O-C 3.46Å; L175-T206 PolarHBondContact O-N 2.67Å |
| 176 | F | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 117.2 | 157.4 | 179 | -80.3 | 0 | 0 | 0 | 109.6 | V145 F146 A147 L148 H208 L224 L225 W228 | V145-F176 PolarHBondContact O-N 2.86Å; F146-F176 CarbonylContact C-O 3.57Å; F146-F176 WeakPolarHBondContact CA-O 3.37Å; F146-F176 HydrophobicContact CB-CB 4.02Å; F146-F176 HydrophobicContact CB-CD1 4.1Å; F146-F176 HydrophobicContact CB-CG 4.48Å; F146-F176 WeakPolarHBondContact CB-O 3.38Å; A147-F176 PolarHBondContact N-O 3.45Å; L148-F176 HydrophobicContact CD2-CD1 4.38Å; L148-F176 HydrophobicContact CD2-CE1 4.04Å; F176-H208 AromaticContact CD2-CD2 3.75Å; F176-H208 AromaticContact CD2-NE2 3.7Å; F176-H208 AromaticContact CE2-CD2 3.22Å; F176-H208 WeakPolarHBondContact CE2-CD2 3.37Å; F176-H208 AromaticContact CE2-NE2 3.28Å; F176-H208 VanDerWaalsContact CE2-NE2 3.28Å; F176-H208 WeakPolarHBondContact CE2-NE2 3.49Å; F176-H208 AromaticContact CZ-CD2 3.49Å; F176-H208 VanDerWaalsContact CZ-CD2 3.49Å; F176-H208 WeakPolarHBondContact CZ-CD2 3.22Å; F176-L224 HydrophobicContact CE2-CD2 4.16Å; F176-L224 HydrophobicContact CE2-CG 3.88Å; F176-L224 HydrophobicContact CZ-CB 4.35Å; F176-L224 HydrophobicContact CZ-CD2 4.06Å; F176-L224 HydrophobicContact CZ-CG 3.94Å; F176-L225 HydrophobicContact CD1-CD1 3.84Å; F176-L225 HydrophobicContact CE1-CB 4.05Å; F176-L225 HydrophobicContact CE1-CD1 4.07Å; F176-L225 HydrophobicContact CG-CD1 4.31Å; F176-L225 HydrophobicContact CZ-CB 4.2Å; F176-W228 HydrophobicContact CB-CD2 3.72Å; F176-W228 HydrophobicContact CB-CE3 3.94Å; F176-W228 HydrophobicContact CB-CG 4.22Å; F176-W228 HydrophobicContact CB-CH2 4.09Å; F176-W228 HydrophobicContact CB-CZ2 3.89Å; F176-W228 HydrophobicContact CB-CZ3 4.12Å; F176-W228 HydrophobicContact CD2-CB 3.85Å; F176-W228 AromaticContact CD2-CD1 3.97Å; F176-W228 HydrophobicContact CD2-CD2 4.07Å; F176-W228 AromaticContact CD2-CG 3.69Å; F176-W228 HydrophobicContact CD2-CG 3.69Å; F176-W228 HydrophobicContact CE2-CB 4.15Å; F176-W228 HydrophobicContact CE2-CG 4.47Å; F176-W228 HydrophobicContact CG-CD2 4.16Å; F176-W228 HydrophobicContact CG-CE3 4.37Å; F176-W228 HydrophobicContact CG-CG 4.27Å |
| 177 | Q | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.3 | 176.3 | -172.2 | 163.4 | -11.3 | 0 | 0 | 110.7 | A147 S150 L175 G191 T195 T206 F207 H208 | A147-Q177 HydrophobicContact CB-CG 4.31Å; A147-Q177 VanDerWaalsContact O-CA 3.28Å; A147-Q177 WeakPolarHBondContact O-CA 3.27Å; A147-Q177 WeakPolarHBondContact O-CG 3.47Å; S150-Q177 PolarHBondContact O-NE2 3.38Å; L175-Q177 HydrophobicContact CD1-CB 4.23Å; L175-Q177 HydrophobicContact CD2-CB 4.29Å; L175-Q177 HydrophobicContact CG-CB 4.15Å; Q177-G191 VanDerWaalsContact NE2-CA 3.27Å; Q177-G191 PolarHBondContact NE2-O 2.95Å; Q177-G191 VanDerWaalsContact NE2-O 3.17Å; Q177-T195 VanDerWaalsContact CD-OG1 3.27Å; Q177-T195 PolarHBondContact OE1-OG1 3.49Å; Q177-T206 PolarHBondContact N-O 3.34Å; Q177-F207 HydrophobicContact CB-CD2 3.92Å; Q177-F207 HydrophobicContact CG-CD2 3.75Å; Q177-F207 HydrophobicContact CG-CE2 3.86Å; Q177-F207 CarbonylContact O-C 3.59Å; Q177-F207 WeakPolarHBondContact O-CA 3.34Å; Q177-H208 PolarHBondContact O-N 2.76Å |
| 178 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 138.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A147 L148 S149 H208 | A147-G178 PolarHBondContact O-N 3.39Å; L148-G178 CarbonylContact C-O 3.52Å; L148-G178 WeakPolarHBondContact CA-O 3.33Å; S149-G178 PolarHBondContact N-O 3.2Å; G178-H208 CarbonylContact C-O 3.44Å; G178-H208 WeakPolarHBondContact CA-O 3.42Å |
| 179 | H | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 136.5 | -178.3 | -141.2 | 110.4 | 0 | 0 | 0 | 113 | S149 D183 V186 F207 H208 S209 F210 | S149-H179 VanDerWaalsContact C-CE1 3.46Å; H179-D183 IonicContact NE2-OD2 2.97Å; H179-D183 PolarHBondContact NE2-OD2 2.78Å; H179-V186 PolarHBondContact NE2-O 3.26Å; H179-F207 HydrophobicContact CB-CE1 4.48Å; H179-F207 HydrophobicContact CB-CE2 3.94Å; H179-F207 HydrophobicContact CB-CZ 3.58Å; H179-H208 PolarHBondContact N-O 3.13Å; H179-S209 WeakPolarHBondContact O-CA 3.41Å; H179-F210 PolarHBondContact O-N 3.3Å |
| 180 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 130.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G182 D183 L213 | G180-G182 PolarHBondContact O-N 2.88Å; G180-D183 WeakPolarHBondContact O-CB 3.45Å; G180-D183 PolarHBondContact O-N 2.97Å; G180-L213 CarbonylContact C-O 3.15Å; G180-L213 WeakPolarHBondContact CA-O 3.45Å |
| 181 | T | 98.8 | Very high | 98.1 | Very high | 65 Ų | 65 | 39.7 Ų | 39.7 | 40% | 0.399 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -17.1 | 179.1 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | F210 P211 G212 L213 | T181-F210 PolarHBondContact N-O 3.21Å; T181-F210 PolarHBondContact OG1-O 2.83Å; T181-F210 VanDerWaalsContact OG1-O 3.07Å; T181-P211 WeakPolarHBondContact OG1-CA 3.5Å; T181-G212 PolarHBondContact OG1-N 3.4Å; T181-L213 PolarHBondContact N-O 2.8Å |
| 182 | G | 98.4 | Very high | 98.5 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 26% | 0.258 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 14.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G180 E184 L213 | G180-G182 PolarHBondContact O-N 2.88Å; G182-E184 PolarHBondContact O-N 2.84Å; G182-L213 CarbonylContact C-O 3.4Å; G182-L213 WeakPolarHBondContact CA-O 3.2Å; G182-L213 PolarHBondContact N-O 3.02Å |
| 183 | D | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.032 | 20% | 0.201 | C | C | . | . | trans | -72.7 | 113.7 | 178.8 | -170.6 | -18.8 | 0 | 0 | 0 | 110.9 | H179 G180 L185 V186 L213 H215 | H179-D183 IonicContact NE2-OD2 2.97Å; H179-D183 PolarHBondContact NE2-OD2 2.78Å; G180-D183 WeakPolarHBondContact O-CB 3.45Å; G180-D183 PolarHBondContact O-N 2.97Å; D183-L185 PolarHBondContact OD1-N 3.48Å; D183-V186 WeakPolarHBondContact CB-O 3.39Å; D183-V186 PolarHBondContact OD1-N 2.9Å; D183-V186 VanDerWaalsContact OD2-O 3.13Å; D183-L213 PolarHBondContact N-O 3.17Å; D183-H215 WeakPolarHBondContact OD1-CB 3.3Å; D183-H215 IonicContact OD1-CG 3.71Å; D183-H215 IonicContact OD1-ND1 2.87Å; D183-H215 PolarHBondContact OD1-ND1 3.46Å; D183-H215 IonicContact OD2-CE1 3.74Å; D183-H215 IonicContact OD2-CG 3.31Å; D183-H215 IonicContact OD2-ND1 3.49Å; D183-H215 PolarHBondContact OD2-ND1 3.48Å | ||
| 184 | E | 97.9 | Very high | 98.6 | Very high | 153 Ų | 153 | 40.5 Ų | 40.5 | 72% | 0.715 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | -4.6 | 179.3 | -62.3 | -175.7 | 165.7 | 0 | 0 | 113.4 | G182 F187 | G182-E184 PolarHBondContact O-N 2.84Å; E184-F187 VanDerWaalsContact O-CE1 3.24Å; E184-F187 WeakPolarHBondContact O-CE1 3.45Å |
| 185 | L | 97 | Very high | 98.6 | Very high | 115 Ų | 115 | 38.8 Ų | 38.8 | 60% | 0.602 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -47.3 | 177.6 | -68.3 | -179.1 | 0 | 0 | 0 | 111.4 | D183 H215 | D183-L185 PolarHBondContact OD1-N 3.48Å; L185-H215 HydrophobicContact CB-CB 4.17Å; L185-H215 HydrophobicContact CD1-CB 3.93Å; L185-H215 HydrophobicContact CG-CB 4.32Å |
| 186 | V | 98.1 | Very high | 98.6 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 93.8 | 171.5 | -179.8 | 0 | 0 | 0 | 0 | 106.5 | F151 H179 D183 H188 W190 H215 | F151-V186 HydrophobicContact CB-CG1 4.27Å; F151-V186 HydrophobicContact CD1-CB 4.46Å; F151-V186 HydrophobicContact CD1-CG1 3.45Å; F151-V186 VanDerWaalsContact CD1-CG1 3.45Å; F151-V186 HydrophobicContact CD1-CG2 4.19Å; F151-V186 HydrophobicContact CE1-CG1 4.17Å; F151-V186 HydrophobicContact CE1-CG2 4.19Å; F151-V186 HydrophobicContact CG-CG1 4.22Å; H179-V186 PolarHBondContact NE2-O 3.26Å; D183-V186 WeakPolarHBondContact CB-O 3.39Å; D183-V186 PolarHBondContact OD1-N 2.9Å; D183-V186 VanDerWaalsContact OD2-O 3.13Å; V186-H188 PolarHBondContact O-N 3.39Å; V186-W190 HydrophobicContact CG1-CE3 4.1Å; V186-H215 VanDerWaalsContact CG2-CE1 3.48Å; V186-H215 WeakPolarHBondContact CG2-CE1 3.25Å |
| 187 | F | 98.6 | Very high | 98.6 | Very high | 104 Ų | 104 | 44.4 Ų | 44.4 | 46% | 0.456 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134 | -175.6 | -60.8 | -37.6 | 0 | 0 | 0 | 111.3 | E184 K189 W190 | E184-F187 VanDerWaalsContact O-CE1 3.24Å; E184-F187 WeakPolarHBondContact O-CE1 3.45Å; F187-K189 PolarHBondContact O-N 2.87Å; F187-K189 VanDerWaalsContact O-N 3.1Å; F187-W190 HydrophobicContact CB-CD2 4.06Å; F187-W190 HydrophobicContact CB-CG 4.23Å; F187-W190 HydrophobicContact CB-CZ2 4.48Å; F187-W190 HydrophobicContact CD2-CD2 4.36Å; F187-W190 AromaticContact CD2-CE2 3.49Å; F187-W190 VanDerWaalsContact CD2-CE2 3.49Å; F187-W190 AromaticContact CD2-CH2 3.94Å; F187-W190 HydrophobicContact CD2-CH2 3.94Å; F187-W190 AromaticContact CD2-CZ2 3.27Å; F187-W190 HydrophobicContact CD2-CZ2 3.27Å; F187-W190 AromaticContact CD2-NE1 3.73Å; F187-W190 HydrophobicContact CE2-CH2 4.22Å; F187-W190 AromaticContact CE2-CZ2 3.73Å; F187-W190 HydrophobicContact CE2-CZ2 3.73Å; F187-W190 HydrophobicContact CG-CZ2 4.13Å; F187-W190 WeakPolarHBondContact O-CB 3.45Å; F187-W190 PolarHBondContact O-N 3.22Å |
| 188 | H | 98.8 | Very high | 98.5 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 13% | 0.134 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -47.5 | -42 | -179.2 | 176.1 | -93.8 | 0 | 0 | 0 | 113.1 | V186 W190 G191 E192 F207 S209 | V186-H188 PolarHBondContact O-N 3.39Å; H188-W190 VanDerWaalsContact C-N 3.25Å; H188-W190 PolarHBondContact O-N 3.08Å; H188-G191 WeakPolarHBondContact O-CA 3.23Å; H188-G191 PolarHBondContact O-N 3.49Å; H188-E192 IonicContact CE1-OE1 2.71Å; H188-E192 PolarHBondContact CE1-OE1 3.1Å; H188-E192 VanDerWaalsContact CE1-OE1 3.22Å; H188-E192 IonicContact CE1-OE2 3.87Å; H188-E192 IonicContact ND1-OE1 3.58Å; H188-E192 IonicContact ND1-OE2 3.74Å; H188-E192 PolarHBondContact O-N 3.06Å; H188-F207 AromaticContact CE1-CE1 3.85Å; H188-F207 AromaticContact NE2-CE1 3.42Å; H188-F207 WeakPolarHBondContact NE2-CE1 3.34Å; H188-F207 AromaticContact NE2-CZ 3.75Å; H188-S209 PolarHBondContact CE1-OG 3.47Å; H188-S209 PolarHBondContact NE2-OG 2.81Å |
| 189 | K | 98.6 | Very high | 98.5 | Very high | 129 Ų | 129 | 51.1 Ų | 51.1 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -55.3 | -34.7 | 175.4 | -177.1 | 171.6 | 174.8 | 175.7 | 0 | 113.7 | F187 G191 E192 E193 | F187-K189 PolarHBondContact O-N 2.87Å; F187-K189 VanDerWaalsContact O-N 3.1Å; K189-G191 VanDerWaalsContact C-N 3.32Å; K189-E192 PolarHBondContact O-N 3.02Å; K189-E193 WeakPolarHBondContact CE-OE1 3.31Å; K189-E193 HydrophobicContact CG-CG 4.34Å; K189-E193 IonicContact NZ-OE1 3.22Å; K189-E193 WeakPolarHBondContact O-CB 3.17Å; K189-E193 VanDerWaalsContact O-CG 3.3Å; K189-E193 WeakPolarHBondContact O-CG 3.38Å; K189-E193 PolarHBondContact O-N 2.94Å |
| 190 | W | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.7 | -34.9 | 177.4 | -55.2 | -13.1 | 0 | 0 | 0 | 111.4 | H86 F151 V186 F187 H188 T194 | H86-W190 HydrophobicContact CB-CB 4.39Å; H86-W190 HydrophobicContact CB-CD2 4.29Å; H86-W190 HydrophobicContact CB-CG 4.13Å; H86-W190 AromaticContact CE1-CD1 3.47Å; H86-W190 VanDerWaalsContact CE1-CD1 3.47Å; H86-W190 AromaticContact CE1-NE1 3.26Å; H86-W190 PolarHBondContact CE1-NE1 3.27Å; H86-W190 VanDerWaalsContact CE1-NE1 3.26Å; H86-W190 AromaticContact CG-CD1 3.69Å; H86-W190 AromaticContact CG-CG 3.89Å; H86-W190 AromaticContact CG-NE1 3.94Å; H86-W190 AromaticContact ND1-CD1 3.23Å; H86-W190 AromaticContact ND1-CD2 3.78Å; H86-W190 AromaticContact ND1-CE2 3.36Å; H86-W190 AromaticContact ND1-CG 3.71Å; H86-W190 AromaticContact ND1-NE1 3.03Å; H86-W190 PolarHBondContact ND1-NE1 3.11Å; F151-W190 HydrophobicContact CB-CB 3.73Å; F151-W190 HydrophobicContact CD1-CE3 4.04Å; F151-W190 HydrophobicContact CD2-CE3 4.38Å; F151-W190 HydrophobicContact CE1-CE3 4.06Å; F151-W190 HydrophobicContact CE1-CZ3 4.27Å; F151-W190 HydrophobicContact CE2-CE3 4.45Å; F151-W190 HydrophobicContact CG-CB 4.17Å; F151-W190 HydrophobicContact CG-CE3 4.17Å; F151-W190 HydrophobicContact CZ-CE3 4.26Å; F151-W190 HydrophobicContact CZ-CZ3 4.35Å; V186-W190 HydrophobicContact CG1-CE3 4.1Å; F187-W190 HydrophobicContact CB-CD2 4.06Å; F187-W190 HydrophobicContact CB-CG 4.23Å; F187-W190 HydrophobicContact CB-CZ2 4.48Å; F187-W190 HydrophobicContact CD2-CD2 4.36Å; F187-W190 AromaticContact CD2-CE2 3.49Å; F187-W190 VanDerWaalsContact CD2-CE2 3.49Å; F187-W190 AromaticContact CD2-CH2 3.94Å; F187-W190 HydrophobicContact CD2-CH2 3.94Å; F187-W190 AromaticContact CD2-CZ2 3.27Å; F187-W190 HydrophobicContact CD2-CZ2 3.27Å; F187-W190 AromaticContact CD2-NE1 3.73Å; F187-W190 HydrophobicContact CE2-CH2 4.22Å; F187-W190 AromaticContact CE2-CZ2 3.73Å; F187-W190 HydrophobicContact CE2-CZ2 3.73Å; F187-W190 HydrophobicContact CG-CZ2 4.13Å; F187-W190 WeakPolarHBondContact O-CB 3.45Å; F187-W190 PolarHBondContact O-N 3.22Å; H188-W190 VanDerWaalsContact C-N 3.25Å; H188-W190 PolarHBondContact O-N 3.08Å; W190-T194 WeakPolarHBondContact O-CB 3.31Å; W190-T194 PolarHBondContact O-N 2.87Å; W190-T194 PolarHBondContact O-OG1 3.04Å |
| 191 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.4 | -46.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | Q177 H188 K189 T194 T195 F207 | Q177-G191 VanDerWaalsContact NE2-CA 3.27Å; Q177-G191 PolarHBondContact NE2-O 2.95Å; Q177-G191 VanDerWaalsContact NE2-O 3.17Å; H188-G191 WeakPolarHBondContact O-CA 3.23Å; H188-G191 PolarHBondContact O-N 3.49Å; K189-G191 VanDerWaalsContact C-N 3.32Å; G191-T194 WeakPolarHBondContact O-CB 3.41Å; G191-T194 PolarHBondContact O-N 2.99Å; G191-T195 PolarHBondContact O-N 3.41Å; G191-F207 VanDerWaalsContact C-CE2 3.41Å |
| 192 | E | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 59.3 Ų | 59.3 | 41% | 0.407 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 175.9 | -71.2 | -174 | 128.6 | 0 | 0 | 112 | H188 K189 T194 T195 A196 F207 | H188-E192 IonicContact CE1-OE1 2.71Å; H188-E192 PolarHBondContact CE1-OE1 3.1Å; H188-E192 VanDerWaalsContact CE1-OE1 3.22Å; H188-E192 IonicContact CE1-OE2 3.87Å; H188-E192 IonicContact ND1-OE1 3.58Å; H188-E192 IonicContact ND1-OE2 3.74Å; H188-E192 PolarHBondContact O-N 3.06Å; K189-E192 PolarHBondContact O-N 3.02Å; E192-T194 VanDerWaalsContact C-N 3.3Å; E192-T194 PolarHBondContact O-N 3.39Å; E192-T195 PolarHBondContact O-N 2.94Å; E192-A196 WeakPolarHBondContact O-CB 3.34Å; E192-A196 PolarHBondContact O-N 3.03Å; E192-F207 HydrophobicContact CB-CE1 4.48Å; E192-F207 HydrophobicContact CB-CZ 4.36Å; E192-F207 HydrophobicContact CG-CD1 4.14Å; E192-F207 HydrophobicContact CG-CE1 3.39Å; E192-F207 HydrophobicContact CG-CE2 4.4Å; E192-F207 HydrophobicContact CG-CZ 3.55Å |
| 193 | E | 98.6 | Very high | 98.5 | Very high | 59 Ų | 59 | 58.4 Ų | 58.4 | 28% | 0.276 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 177.3 | -76.2 | 178.1 | -175.8 | 0 | 0 | 111.3 | H86 K189 T195 A196 L197 | H86-E193 IonicContact CD2-OE2 2.64Å; H86-E193 PolarHBondContact CD2-OE2 3.33Å; H86-E193 IonicContact NE2-OE2 3.51Å; H86-E193 PolarHBondContact NE2-OE2 3.49Å; K189-E193 WeakPolarHBondContact CE-OE1 3.31Å; K189-E193 HydrophobicContact CG-CG 4.34Å; K189-E193 IonicContact NZ-OE1 3.22Å; K189-E193 WeakPolarHBondContact O-CB 3.17Å; K189-E193 VanDerWaalsContact O-CG 3.3Å; K189-E193 WeakPolarHBondContact O-CG 3.38Å; K189-E193 PolarHBondContact O-N 2.94Å; E193-T195 PolarHBondContact O-N 3.37Å; E193-A196 PolarHBondContact O-N 3.3Å; E193-L197 WeakPolarHBondContact O-CB 3.5Å; E193-L197 VanDerWaalsContact O-CG 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.3Å; E193-L197 PolarHBondContact O-N 3.07Å |
| 194 | T | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.3 | -49.9 | 175.7 | -63.7 | 0 | 0 | 0 | 0 | 111.4 | L132 F151 L152 W190 G191 E192 L197 L198 | L132-T194 HydrophobicContact CD1-CG2 4.11Å; F151-T194 WeakPolarHBondContact CA-OG1 3.35Å; L152-T194 HydrophobicContact CB-CG2 3.96Å; L152-T194 HydrophobicContact CD1-CG2 3.95Å; L152-T194 HydrophobicContact CG-CG2 3.83Å; L152-T194 PolarHBondContact N-OG1 2.92Å; W190-T194 WeakPolarHBondContact O-CB 3.31Å; W190-T194 PolarHBondContact O-N 2.87Å; W190-T194 PolarHBondContact O-OG1 3.04Å; G191-T194 WeakPolarHBondContact O-CB 3.41Å; G191-T194 PolarHBondContact O-N 2.99Å; E192-T194 VanDerWaalsContact C-N 3.3Å; E192-T194 PolarHBondContact O-N 3.39Å; T194-L197 PolarHBondContact O-N 3.11Å; T194-L198 HydrophobicContact CG2-CD1 3.99Å; T194-L198 WeakPolarHBondContact O-CG 3.32Å; T194-L198 PolarHBondContact O-N 3.42Å |
| 195 | T | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 178.7 | -70 | 0 | 0 | 0 | 0 | 111.6 | Q177 G191 E192 E193 L197 L198 K199 T205 F207 | Q177-T195 VanDerWaalsContact CD-OG1 3.27Å; Q177-T195 PolarHBondContact OE1-OG1 3.49Å; G191-T195 PolarHBondContact O-N 3.41Å; E192-T195 PolarHBondContact O-N 2.94Å; E193-T195 PolarHBondContact O-N 3.37Å; T195-L197 VanDerWaalsContact C-N 3.33Å; T195-L197 PolarHBondContact O-N 3.28Å; T195-L198 PolarHBondContact O-N 3.45Å; T195-K199 WeakPolarHBondContact O-CB 3.49Å; T195-K199 PolarHBondContact O-N 3.09Å; T195-T205 HydrophobicContact CG2-CG2 4.27Å; T195-T205 WeakPolarHBondContact CG2-OG1 3.38Å; T195-F207 HydrophobicContact CG2-CB 3.98Å; T195-F207 WeakPolarHBondContact OG1-CD2 3.43Å |
| 196 | A | 98.7 | Very high | 98.6 | Very high | 57 Ų | 57 | 53.2 Ų | 53.2 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E192 E193 K199 K200 | E192-A196 WeakPolarHBondContact O-CB 3.34Å; E192-A196 PolarHBondContact O-N 3.03Å; E193-A196 PolarHBondContact O-N 3.3Å; A196-K199 PolarHBondContact O-N 3.31Å; A196-K200 WeakPolarHBondContact O-CB 3.36Å; A196-K200 PolarHBondContact O-N 3.48Å |
| 197 | L | 98.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 55.2 Ų | 55.2 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 177.7 | -70.7 | 172.1 | 0 | 0 | 0 | 112.2 | Y159 E193 T194 T195 K200 A201 | Y159-L197 HydrophobicContact CD1-CB 3.7Å; Y159-L197 HydrophobicContact CE1-CB 3.34Å; Y159-L197 HydrophobicContact CE1-CD1 4.19Å; Y159-L197 HydrophobicContact CE1-CG 4.41Å; Y159-L197 HydrophobicContact CE2-CB 4.38Å; Y159-L197 HydrophobicContact CE2-CD1 3.85Å; Y159-L197 HydrophobicContact CG-CB 4.37Å; E193-L197 WeakPolarHBondContact O-CB 3.5Å; E193-L197 VanDerWaalsContact O-CG 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.3Å; E193-L197 PolarHBondContact O-N 3.07Å; T194-L197 PolarHBondContact O-N 3.11Å; T195-L197 VanDerWaalsContact C-N 3.33Å; T195-L197 PolarHBondContact O-N 3.28Å; L197-K200 PolarHBondContact O-N 3.06Å; L197-A201 WeakPolarHBondContact O-CB 3.33Å; L197-A201 PolarHBondContact O-N 3.33Å |
| 198 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -41 | 173.8 | -71.9 | 169.8 | 0 | 0 | 0 | 112 | L132 L152 V158 Y159 V162 L175 T194 T195 A201 G202 M203 T205 | L132-L198 HydrophobicContact CD1-CD1 4.39Å; L132-L198 HydrophobicContact CD2-CD1 3.85Å; L152-L198 HydrophobicContact CD1-CD1 4.28Å; L152-L198 HydrophobicContact CD1-CD2 4.31Å; V158-L198 HydrophobicContact CG1-CD2 3.82Å; Y159-L198 HydrophobicContact CD1-CD2 3.84Å; Y159-L198 HydrophobicContact CD1-CG 4.07Å; Y159-L198 HydrophobicContact CE1-CD2 4.09Å; Y159-L198 HydrophobicContact CE1-CG 3.9Å; V162-L198 HydrophobicContact CG2-CD2 3.97Å; L175-L198 HydrophobicContact CD2-CD1 3.59Å; T194-L198 HydrophobicContact CG2-CD1 3.99Å; T194-L198 WeakPolarHBondContact O-CG 3.32Å; T194-L198 PolarHBondContact O-N 3.42Å; T195-L198 PolarHBondContact O-N 3.45Å; L198-A201 PolarHBondContact O-N 3.23Å; L198-G202 PolarHBondContact O-N 3.04Å; L198-M203 HydrophobicContact CB-CB 4.37Å; L198-M203 HydrophobicContact CB-SD 4.14Å; L198-M203 HydrophobicContact CD1-SD 4.28Å; L198-M203 HydrophobicContact CD2-SD 4.21Å; L198-M203 HydrophobicContact CG-SD 4.44Å; L198-M203 WeakPolarHBondContact O-CB 3.3Å; L198-M203 PolarHBondContact O-N 3.28Å; L198-T205 HydrophobicContact CB-CG2 4.02Å |
| 199 | K | 98.7 | Very high | 98.6 | Very high | 140 Ų | 140 | 53.9 Ų | 53.9 | 61% | 0.609 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 174.2 | -171.4 | 175.6 | -179.7 | 176.3 | 0 | 111.4 | T195 A196 A201 G202 T205 | T195-K199 WeakPolarHBondContact O-CB 3.49Å; T195-K199 PolarHBondContact O-N 3.09Å; A196-K199 PolarHBondContact O-N 3.31Å; K199-A201 VanDerWaalsContact C-N 3.26Å; K199-A201 PolarHBondContact O-N 3Å; K199-G202 PolarHBondContact O-N 3.01Å; K199-T205 HydrophobicContact CB-CG2 4.21Å |
| 200 | K | 98.4 | Very high | 98.6 | Very high | 182 Ų | 182 | 48.9 Ų | 48.9 | 79% | 0.791 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.9 | -35.6 | 175.7 | -176.7 | -178.3 | 175 | -173.5 | 0 | 112 | A196 L197 G202 | A196-K200 WeakPolarHBondContact O-CB 3.36Å; A196-K200 PolarHBondContact O-N 3.48Å; L197-K200 PolarHBondContact O-N 3.06Å; K200-G202 PolarHBondContact O-N 3.31Å |
| 201 | A | 98.4 | Very high | 98.6 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -6.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V162 E163 A166 L197 L198 K199 | V162-A201 HydrophobicContact CB-CB 3.98Å; V162-A201 HydrophobicContact CG1-CB 3.6Å; E163-A201 WeakPolarHBondContact CA-O 3.34Å; E163-A201 HydrophobicContact CB-CB 4.2Å; A166-A201 WeakPolarHBondContact CB-O 3.01Å; L197-A201 WeakPolarHBondContact O-CB 3.33Å; L197-A201 PolarHBondContact O-N 3.33Å; L198-A201 PolarHBondContact O-N 3.23Å; K199-A201 VanDerWaalsContact C-N 3.26Å; K199-A201 PolarHBondContact O-N 3Å |
| 202 | G | 98 | Very high | 98.6 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 45% | 0.454 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.9 | 8.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L198 K199 K200 | L198-G202 PolarHBondContact O-N 3.04Å; K199-G202 PolarHBondContact O-N 3.01Å; K200-G202 PolarHBondContact O-N 3.31Å |
| 203 | M | 98.3 | Very high | 98.6 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | trans | -82.1 | 141 | 174.5 | -165.2 | 178.8 | -171.5 | 0 | 0 | 111.5 | V145 V162 P173 L175 L198 T205 | V145-M203 HydrophobicContact CG1-CE 3.4Å; V145-M203 VanDerWaalsContact CG1-CE 3.4Å; V162-M203 HydrophobicContact CG1-CB 3.8Å; P173-M203 HydrophobicContact CG-CE 3.97Å; P173-M203 WeakPolarHBondContact O-CE 3.3Å; P173-M203 WeakPolarHBondContact O-CG 2.93Å; L175-M203 HydrophobicContact CB-CE 3.74Å; L175-M203 HydrophobicContact CB-SD 4.1Å; L198-M203 HydrophobicContact CB-CB 4.37Å; L198-M203 HydrophobicContact CB-SD 4.14Å; L198-M203 HydrophobicContact CD1-SD 4.28Å; L198-M203 HydrophobicContact CD2-SD 4.21Å; L198-M203 HydrophobicContact CG-SD 4.44Å; L198-M203 WeakPolarHBondContact O-CB 3.3Å; L198-M203 PolarHBondContact O-N 3.28Å; M203-T205 HydrophobicContact CB-CG2 4.08Å; M203-T205 HydrophobicContact CG-CG2 4.18Å; M203-T205 PolarHBondContact O-N 2.79Å; M203-T205 HydrophobicContact SD-CG2 4.4Å | ||
| 204 | T | 98.5 | Very high | 98.6 | Very high | 92 Ų | 92 | 55 Ų | 55 | 56% | 0.564 | 32% | 0.321 | S | S | * | . | trans | -73.6 | 122.1 | 166.6 | -56.4 | 0 | 0 | 0 | 0 | 109.1 | E174 L175 | E174-T204 WeakPolarHBondContact CA-O 3.48Å; E174-T204 HydrophobicContact CG-CG2 3.9Å; L175-T204 PolarHBondContact N-O 2.93Å | ||
| 205 | T | 98.6 | Very high | 98.5 | Very high | 20 Ų | 20 | 57 Ų | 57 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 143.2 | -174.9 | 67.7 | 0 | 0 | 0 | 0 | 112.1 | L175 T195 L198 K199 M203 | L175-T205 HydrophobicContact CB-CG2 4.02Å; L175-T205 HydrophobicContact CD2-CG2 3.97Å; L175-T205 CarbonylContact O-C 3.46Å; T195-T205 HydrophobicContact CG2-CG2 4.27Å; T195-T205 WeakPolarHBondContact CG2-OG1 3.38Å; L198-T205 HydrophobicContact CB-CG2 4.02Å; K199-T205 HydrophobicContact CB-CG2 4.21Å; M203-T205 HydrophobicContact CB-CG2 4.08Å; M203-T205 HydrophobicContact CG-CG2 4.18Å; M203-T205 PolarHBondContact O-N 2.79Å; M203-T205 HydrophobicContact SD-CG2 4.4Å |
| 206 | T | 98.4 | Very high | 98.5 | Very high | 54 Ų | 54 | 60.7 Ų | 60.7 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.7 | 166.2 | -47 | 0 | 0 | 0 | 0 | 109.6 | L175 Q177 H208 | L175-T206 PolarHBondContact O-N 2.67Å; Q177-T206 PolarHBondContact N-O 3.34Å; T206-H208 VanDerWaalsContact CG2-CE1 3.47Å; T206-H208 WeakPolarHBondContact CG2-CE1 3.43Å; T206-H208 WeakPolarHBondContact CG2-NE2 3.43Å |
| 207 | F | 98.8 | Very high | 98.4 | Very high | 48 Ų | 48 | 58.3 Ų | 58.3 | 21% | 0.211 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.5 | 176.2 | -169.9 | -99.7 | 0 | 0 | 0 | 110.3 | Q177 H179 H188 G191 E192 T195 S209 | Q177-F207 HydrophobicContact CB-CD2 3.92Å; Q177-F207 HydrophobicContact CG-CD2 3.75Å; Q177-F207 HydrophobicContact CG-CE2 3.86Å; Q177-F207 CarbonylContact O-C 3.59Å; Q177-F207 WeakPolarHBondContact O-CA 3.34Å; H179-F207 HydrophobicContact CB-CE1 4.48Å; H179-F207 HydrophobicContact CB-CE2 3.94Å; H179-F207 HydrophobicContact CB-CZ 3.58Å; H188-F207 AromaticContact CE1-CE1 3.85Å; H188-F207 AromaticContact NE2-CE1 3.42Å; H188-F207 WeakPolarHBondContact NE2-CE1 3.34Å; H188-F207 AromaticContact NE2-CZ 3.75Å; G191-F207 VanDerWaalsContact C-CE2 3.41Å; E192-F207 HydrophobicContact CB-CE1 4.48Å; E192-F207 HydrophobicContact CB-CZ 4.36Å; E192-F207 HydrophobicContact CG-CD1 4.14Å; E192-F207 HydrophobicContact CG-CE1 3.39Å; E192-F207 HydrophobicContact CG-CE2 4.4Å; E192-F207 HydrophobicContact CG-CZ 3.55Å; T195-F207 HydrophobicContact CG2-CB 3.98Å; T195-F207 WeakPolarHBondContact OG1-CD2 3.43Å; F207-S209 WeakPolarHBondContact CE1-OG 3.08Å |
| 208 | H | 98.8 | Very high | 98.4 | Very high | 51 Ų | 51 | 56.2 Ų | 56.2 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 116.1 | -179.2 | -62.1 | -72.3 | 0 | 0 | 0 | 110 | F176 Q177 G178 H179 T206 F210 L224 | F176-H208 AromaticContact CD2-CD2 3.75Å; F176-H208 AromaticContact CD2-NE2 3.7Å; F176-H208 AromaticContact CE2-CD2 3.22Å; F176-H208 WeakPolarHBondContact CE2-CD2 3.37Å; F176-H208 AromaticContact CE2-NE2 3.28Å; F176-H208 VanDerWaalsContact CE2-NE2 3.28Å; F176-H208 WeakPolarHBondContact CE2-NE2 3.49Å; F176-H208 AromaticContact CZ-CD2 3.49Å; F176-H208 VanDerWaalsContact CZ-CD2 3.49Å; F176-H208 WeakPolarHBondContact CZ-CD2 3.22Å; Q177-H208 PolarHBondContact O-N 2.76Å; G178-H208 CarbonylContact C-O 3.44Å; G178-H208 WeakPolarHBondContact CA-O 3.42Å; H179-H208 PolarHBondContact N-O 3.13Å; T206-H208 VanDerWaalsContact CG2-CE1 3.47Å; T206-H208 WeakPolarHBondContact CG2-CE1 3.43Å; T206-H208 WeakPolarHBondContact CG2-NE2 3.43Å; H208-F210 HydrophobicContact CB-CE2 3.93Å; H208-F210 HydrophobicContact CB-CZ 4.01Å; H208-L224 HydrophobicContact CB-CD2 4.19Å |
| 209 | S | 98.7 | Very high | 98.4 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 130.2 | 175.5 | -62 | 0 | 0 | 0 | 0 | 110.6 | H179 H188 F207 | H179-S209 WeakPolarHBondContact O-CA 3.41Å; H188-S209 PolarHBondContact CE1-OG 3.47Å; H188-S209 PolarHBondContact NE2-OG 2.81Å; F207-S209 WeakPolarHBondContact CE1-OG 3.08Å |
| 210 | F | 98.6 | Very high | 98.3 | Very high | 25 Ų | 25 | 59.8 Ų | 59.8 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 108.8 | 175.8 | -61.6 | -83.1 | 0 | 0 | 0 | 109.9 | H179 T181 H208 G212 L213 P220 E221 L224 | H179-F210 PolarHBondContact O-N 3.3Å; T181-F210 PolarHBondContact N-O 3.21Å; T181-F210 PolarHBondContact OG1-O 2.83Å; T181-F210 VanDerWaalsContact OG1-O 3.07Å; H208-F210 HydrophobicContact CB-CE2 3.93Å; H208-F210 HydrophobicContact CB-CZ 4.01Å; F210-G212 PolarHBondContact O-N 3.28Å; F210-L213 HydrophobicContact CB-CB 3.72Å; F210-L213 HydrophobicContact CB-CD2 3.58Å; F210-L213 HydrophobicContact CB-CG 4.3Å; F210-L213 HydrophobicContact CD2-CD2 4.18Å; F210-L213 HydrophobicContact CG-CD2 3.96Å; F210-L213 PolarHBondContact O-N 2.71Å; F210-P220 HydrophobicContact CD1-CB 4.49Å; F210-P220 HydrophobicContact CE1-CB 4.27Å; F210-E221 HydrophobicContact CD1-CB 4.3Å; F210-E221 HydrophobicContact CD2-CB 4.25Å; F210-E221 HydrophobicContact CD2-CG 4.32Å; F210-E221 HydrophobicContact CE1-CB 3.79Å; F210-E221 HydrophobicContact CE2-CB 3.73Å; F210-E221 HydrophobicContact CE2-CG 3.61Å; F210-E221 VanDerWaalsContact CZ-CA 3.41Å; F210-E221 HydrophobicContact CZ-CB 3.49Å; F210-E221 VanDerWaalsContact CZ-CB 3.49Å; F210-E221 HydrophobicContact CZ-CG 3.75Å; F210-L224 HydrophobicContact CZ-CD2 4.31Å |
| 211 | P | 98.4 | Very high | 98.3 | Very high | 117 Ų | 117 | 51.1 Ų | 51.1 | 76% | 0.76 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 128.1 | -178.9 | -28.9 | 37.5 | 0 | 0 | 0 | 113.1 | T181 L213 | T181-P211 WeakPolarHBondContact OG1-CA 3.5Å; P211-L213 PolarHBondContact O-N 3.49Å |
| 212 | G | 98.1 | Very high | 98.3 | Very high | 60 Ų | 60 | 50.5 Ų | 50.5 | 62% | 0.619 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | -6.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | T181 F210 Q214 | T181-G212 PolarHBondContact OG1-N 3.4Å; F210-G212 PolarHBondContact O-N 3.28Å; G212-Q214 PolarHBondContact O-N 3.18Å |
| 213 | L | 98.5 | Very high | 98.3 | Very high | 14 Ų | 14 | 51.6 Ų | 51.6 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | trans | -66.8 | 129 | 174.8 | -176.2 | 65.5 | 0 | 0 | 0 | 109.4 | G180 T181 G182 D183 F210 P211 Q216 | G180-L213 CarbonylContact C-O 3.15Å; G180-L213 WeakPolarHBondContact CA-O 3.45Å; T181-L213 PolarHBondContact N-O 2.8Å; G182-L213 CarbonylContact C-O 3.4Å; G182-L213 WeakPolarHBondContact CA-O 3.2Å; G182-L213 PolarHBondContact N-O 3.02Å; D183-L213 PolarHBondContact N-O 3.17Å; F210-L213 HydrophobicContact CB-CB 3.72Å; F210-L213 HydrophobicContact CB-CD2 3.58Å; F210-L213 HydrophobicContact CB-CG 4.3Å; F210-L213 HydrophobicContact CD2-CD2 4.18Å; F210-L213 HydrophobicContact CG-CD2 3.96Å; F210-L213 PolarHBondContact O-N 2.71Å; P211-L213 PolarHBondContact O-N 3.49Å; L213-Q216 HydrophobicContact CD1-CG 3.44Å; L213-Q216 VanDerWaalsContact CD1-CG 3.44Å; L213-Q216 HydrophobicContact CG-CG 4.31Å | ||
| 214 | Q | 98.5 | Very high | 98.3 | Very high | 107 Ų | 107 | 54.5 Ų | 54.5 | 50% | 0.5 | 30% | 0.302 | S | S | . | . | trans | -86.6 | -157.9 | 175.1 | -60.3 | -172.2 | -33.3 | 0 | 0 | 110.8 | G212 Q216 | G212-Q214 PolarHBondContact O-N 3.18Å; Q214-Q216 PolarHBondContact O-N 3.32Å | ||
| 215 | H | 98.4 | Very high | 98.3 | Very high | 42 Ų | 42 | 50.1 Ų | 50.1 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -74.9 | 63.8 | 177.1 | -159 | 66.7 | 0 | 0 | 0 | 112.7 | F124 S125 S149 D183 L185 V186 | F124-H215 AromaticContact CE1-CD2 3.99Å; F124-H215 AromaticContact CE1-NE2 3.69Å; F124-H215 AromaticContact CZ-CD2 3.71Å; F124-H215 AromaticContact CZ-NE2 3.64Å; S125-H215 VanDerWaalsContact CB-NE2 3.32Å; S125-H215 WeakPolarHBondContact CB-NE2 3.43Å; S125-H215 PolarHBondContact OG-CE1 3.34Å; S125-H215 VanDerWaalsContact OG-CE1 3.31Å; S125-H215 PolarHBondContact OG-NE2 3.1Å; S149-H215 PolarHBondContact O-CE1 3.25Å; D183-H215 WeakPolarHBondContact OD1-CB 3.3Å; D183-H215 IonicContact OD1-CG 3.71Å; D183-H215 IonicContact OD1-ND1 2.87Å; D183-H215 PolarHBondContact OD1-ND1 3.46Å; D183-H215 IonicContact OD2-CE1 3.74Å; D183-H215 IonicContact OD2-CG 3.31Å; D183-H215 IonicContact OD2-ND1 3.49Å; D183-H215 PolarHBondContact OD2-ND1 3.48Å; L185-H215 HydrophobicContact CB-CB 4.17Å; L185-H215 HydrophobicContact CD1-CB 3.93Å; L185-H215 HydrophobicContact CG-CB 4.32Å; V186-H215 VanDerWaalsContact CG2-CE1 3.48Å; V186-H215 WeakPolarHBondContact CG2-CE1 3.25Å |
| 216 | Q | 97.8 | Very high | 98.3 | Very high | 89 Ų | 89 | 51.1 Ų | 51.1 | 42% | 0.416 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -150.5 | 160.5 | -174.4 | 67.6 | -171.9 | -0.5 | 0 | 0 | 112.2 | W41 L213 Q214 | W41-Q216 HydrophobicContact CH2-CB 4.43Å; W41-Q216 HydrophobicContact CZ2-CB 3.82Å; L213-Q216 HydrophobicContact CD1-CG 3.44Å; L213-Q216 VanDerWaalsContact CD1-CG 3.44Å; L213-Q216 HydrophobicContact CG-CG 4.31Å; Q214-Q216 PolarHBondContact O-N 3.32Å |
| 217 | L | 97.9 | Very high | 98.3 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | trans | -76.3 | 147.4 | 169.6 | -61 | 179.2 | 0 | 0 | 0 | 110.6 | W41 V42 V45 F124 L148 I222 | W41-L217 HydrophobicContact CD2-CB 4.3Å; W41-L217 HydrophobicContact CD2-CD1 3.62Å; W41-L217 HydrophobicContact CD2-CG 3.92Å; W41-L217 HydrophobicContact CE3-CD1 3.55Å; W41-L217 HydrophobicContact CE3-CG 3.85Å; W41-L217 HydrophobicContact CG-CD1 4.12Å; W41-L217 HydrophobicContact CH2-CB 4.4Å; W41-L217 HydrophobicContact CH2-CD1 4.47Å; W41-L217 HydrophobicContact CH2-CG 3.84Å; W41-L217 HydrophobicContact CZ2-CB 3.99Å; W41-L217 HydrophobicContact CZ2-CG 3.92Å; W41-L217 HydrophobicContact CZ3-CD1 3.99Å; W41-L217 HydrophobicContact CZ3-CG 3.79Å; V42-L217 HydrophobicContact CG2-CD1 3.83Å; V45-L217 HydrophobicContact CG1-CB 4.26Å; V45-L217 HydrophobicContact CG2-CB 4.31Å; F124-L217 HydrophobicContact CD2-CD2 3.57Å; F124-L217 HydrophobicContact CD2-CG 4.24Å; F124-L217 HydrophobicContact CE2-CD2 4.13Å; F124-L217 HydrophobicContact CG-CD2 4.32Å; L148-L217 HydrophobicContact CB-CD2 4.43Å; L148-L217 HydrophobicContact CD1-CD2 3.58Å; L217-I222 HydrophobicContact CD1-CD1 4.31Å; L217-I222 HydrophobicContact CD2-CD1 4.18Å | ||
| 218 | S | 97.9 | Very high | 98.3 | Very high | 19 Ų | 19 | 50.6 Ų | 50.6 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | trans | -130.4 | 156.6 | 173.5 | 71.1 | 0 | 0 | 0 | 0 | 112.7 | V45 E221 I222 | V45-S218 VanDerWaalsContact CG1-CA 3.43Å; S218-E221 PolarHBondContact O-N 3.39Å; S218-E221 VanDerWaalsContact OG-CB 3.3Å; S218-E221 WeakPolarHBondContact OG-CB 3.35Å; S218-E221 PolarHBondContact OG-N 2.88Å; S218-I222 WeakPolarHBondContact O-CG1 3.36Å; S218-I222 PolarHBondContact O-N 2.92Å | ||
| 219 | R | 97.7 | Very high | 98.2 | Very high | 137 Ų | 137 | 48.1 Ų | 48.1 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.8 | -50.2 | 177.6 | -175.2 | 178.3 | 170.7 | 178.8 | -1.1 | 112.3 | V45 E221 I222 E223 | V45-R219 VanDerWaalsContact O-CB 3.25Å; V45-R219 WeakPolarHBondContact O-CB 3.47Å; R219-E221 VanDerWaalsContact C-N 3.27Å; R219-E221 PolarHBondContact O-N 2.88Å; R219-I222 PolarHBondContact O-N 3.25Å; R219-E223 HydrophobicContact CG-CG 4.23Å; R219-E223 IonicContact CZ-OE1 2.75Å; R219-E223 VanDerWaalsContact CZ-OE1 3.31Å; R219-E223 IonicContact NE-OE1 3.69Å; R219-E223 PolarHBondContact NE-OE1 3.32Å; R219-E223 IonicContact NH2-OE1 3.38Å; R219-E223 PolarHBondContact NH2-OE1 3.24Å; R219-E223 WeakPolarHBondContact O-CB 3.49Å; R219-E223 WeakPolarHBondContact O-CG 3.34Å; R219-E223 PolarHBondContact O-N 3Å |
| 220 | P | 97.9 | Very high | 98.2 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 50% | 0.5 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.2 | -36.3 | 179.7 | -22.9 | 35.6 | 0 | 0 | 0 | 112.9 | F210 L224 | F210-P220 HydrophobicContact CD1-CB 4.49Å; F210-P220 HydrophobicContact CE1-CB 4.27Å; P220-L224 VanDerWaalsContact O-CB 3.25Å; P220-L224 WeakPolarHBondContact O-CB 3.32Å; P220-L224 PolarHBondContact O-N 3.39Å |
| 221 | E | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 176.5 | -179 | -178.6 | -132.5 | 0 | 0 | 111.9 | L148 F210 S218 R219 L224 L225 | L148-E221 HydrophobicContact CD2-CG 4.11Å; F210-E221 HydrophobicContact CD1-CB 4.3Å; F210-E221 HydrophobicContact CD2-CB 4.25Å; F210-E221 HydrophobicContact CD2-CG 4.32Å; F210-E221 HydrophobicContact CE1-CB 3.79Å; F210-E221 HydrophobicContact CE2-CB 3.73Å; F210-E221 HydrophobicContact CE2-CG 3.61Å; F210-E221 VanDerWaalsContact CZ-CA 3.41Å; F210-E221 HydrophobicContact CZ-CB 3.49Å; F210-E221 VanDerWaalsContact CZ-CB 3.49Å; F210-E221 HydrophobicContact CZ-CG 3.75Å; S218-E221 PolarHBondContact O-N 3.39Å; S218-E221 VanDerWaalsContact OG-CB 3.3Å; S218-E221 WeakPolarHBondContact OG-CB 3.35Å; S218-E221 PolarHBondContact OG-N 2.88Å; R219-E221 VanDerWaalsContact C-N 3.27Å; R219-E221 PolarHBondContact O-N 2.88Å; E221-L224 PolarHBondContact O-N 2.97Å; E221-L225 WeakPolarHBondContact O-CB 3.48Å; E221-L225 PolarHBondContact O-N 2.89Å |
| 222 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.7 | -38.5 | -179.7 | -63.3 | -58.8 | 0 | 0 | 0 | 111.8 | V42 V45 L50 L148 L217 S218 R219 L224 L225 R226 | V42-I222 HydrophobicContact CG1-CG2 4.31Å; V42-I222 HydrophobicContact CG2-CD1 4.4Å; V45-I222 HydrophobicContact CG1-CG1 4.4Å; L50-I222 HydrophobicContact CD2-CG2 4.36Å; L50-I222 HydrophobicContact CG-CG2 4.4Å; L148-I222 HydrophobicContact CD1-CD1 4.3Å; L217-I222 HydrophobicContact CD1-CD1 4.31Å; L217-I222 HydrophobicContact CD2-CD1 4.18Å; S218-I222 WeakPolarHBondContact O-CG1 3.36Å; S218-I222 PolarHBondContact O-N 2.92Å; R219-I222 PolarHBondContact O-N 3.25Å; I222-L224 VanDerWaalsContact C-N 3.35Å; I222-L225 PolarHBondContact O-N 3.49Å; I222-R226 WeakPolarHBondContact O-CB 3.45Å; I222-R226 PolarHBondContact O-N 3.05Å |
| 223 | E | 97.9 | Very high | 98.1 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.1 | -40 | 175.2 | -74.1 | 179.6 | 166.5 | 0 | 0 | 111.9 | R219 S227 | R219-E223 HydrophobicContact CG-CG 4.23Å; R219-E223 IonicContact CZ-OE1 2.75Å; R219-E223 VanDerWaalsContact CZ-OE1 3.31Å; R219-E223 IonicContact NE-OE1 3.69Å; R219-E223 PolarHBondContact NE-OE1 3.32Å; R219-E223 IonicContact NH2-OE1 3.38Å; R219-E223 PolarHBondContact NH2-OE1 3.24Å; R219-E223 WeakPolarHBondContact O-CB 3.49Å; R219-E223 WeakPolarHBondContact O-CG 3.34Å; R219-E223 PolarHBondContact O-N 3Å; E223-S227 PolarHBondContact O-N 3.48Å; E223-S227 PolarHBondContact O-OG 3.01Å |
| 224 | L | 98.3 | Very high | 97.9 | Very high | 66 Ų | 66 | 53.3 Ų | 53.3 | 35% | 0.346 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.5 | -44.9 | 176.8 | -173.1 | 62.6 | 0 | 0 | 0 | 111.6 | F176 H208 F210 P220 E221 I222 R226 S227 W228 | F176-L224 HydrophobicContact CE2-CD2 4.16Å; F176-L224 HydrophobicContact CE2-CG 3.88Å; F176-L224 HydrophobicContact CZ-CB 4.35Å; F176-L224 HydrophobicContact CZ-CD2 4.06Å; F176-L224 HydrophobicContact CZ-CG 3.94Å; H208-L224 HydrophobicContact CB-CD2 4.19Å; F210-L224 HydrophobicContact CZ-CD2 4.31Å; P220-L224 VanDerWaalsContact O-CB 3.25Å; P220-L224 WeakPolarHBondContact O-CB 3.32Å; P220-L224 PolarHBondContact O-N 3.39Å; E221-L224 PolarHBondContact O-N 2.97Å; I222-L224 VanDerWaalsContact C-N 3.35Å; L224-R226 PolarHBondContact O-N 3.07Å; L224-S227 WeakPolarHBondContact O-CB 3.38Å; L224-S227 PolarHBondContact O-N 2.75Å; L224-W228 PolarHBondContact O-N 2.88Å |
| 225 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 174 | 174.2 | 62.5 | 0 | 0 | 0 | 111.3 | F27 F146 L148 F176 E221 I222 S227 W228 I229 | F27-L225 HydrophobicContact CE2-CD2 4.43Å; F146-L225 HydrophobicContact CB-CD1 3.71Å; F146-L225 HydrophobicContact CD1-CD1 3.93Å; F146-L225 HydrophobicContact CD2-CD1 4.02Å; F146-L225 HydrophobicContact CD2-CD2 3.9Å; F146-L225 HydrophobicContact CE2-CD2 3.92Å; F146-L225 HydrophobicContact CG-CD1 3.61Å; F146-L225 HydrophobicContact CG-CD2 4.29Å; F146-L225 HydrophobicContact CZ-CD2 4.34Å; L148-L225 HydrophobicContact CD1-CD2 4.07Å; L148-L225 HydrophobicContact CD2-CD2 4.44Å; F176-L225 HydrophobicContact CD1-CD1 3.84Å; F176-L225 HydrophobicContact CE1-CB 4.05Å; F176-L225 HydrophobicContact CE1-CD1 4.07Å; F176-L225 HydrophobicContact CG-CD1 4.31Å; F176-L225 HydrophobicContact CZ-CB 4.2Å; E221-L225 WeakPolarHBondContact O-CB 3.48Å; E221-L225 PolarHBondContact O-N 2.89Å; I222-L225 PolarHBondContact O-N 3.49Å; L225-S227 VanDerWaalsContact C-N 3.28Å; L225-S227 PolarHBondContact O-N 3.17Å; L225-W228 HydrophobicContact CD1-CE3 4.02Å; L225-W228 HydrophobicContact CD1-CZ3 4.44Å; L225-W228 PolarHBondContact O-N 3.01Å; L225-I229 HydrophobicContact CD1-CD1 4.08Å; L225-I229 HydrophobicContact CD1-CG1 4.18Å; L225-I229 HydrophobicContact CD2-CD1 4.48Å; L225-I229 HydrophobicContact CG-CD1 3.88Å; L225-I229 HydrophobicContact CG-CG1 4.41Å; L225-I229 WeakPolarHBondContact O-CG1 3.25Å; L225-I229 PolarHBondContact O-N 3.16Å |
| 226 | R | 98.3 | Very high | 96.6 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.5 | -45.4 | 177.1 | -178.4 | -175.2 | 171.9 | 77.1 | 4.5 | 110.9 | D49 L50 A51 F52 I222 L224 I229 L230 | D49-R226 PolarHBondContact O-NH1 2.94Å; L50-R226 HydrophobicContact CD2-CB 4.01Å; L50-R226 HydrophobicContact CD2-CG 4.41Å; A51-R226 PolarHBondContact O-NH1 3.14Å; A51-R226 PolarHBondContact O-NH2 3.3Å; A51-R226 VanDerWaalsContact O-NH2 3.13Å; F52-R226 HydrophobicContact CE1-CG 3.68Å; F52-R226 VanDerWaalsContact CE1-NH1 3.33Å; F52-R226 HydrophobicContact CZ-CG 3.98Å; I222-R226 WeakPolarHBondContact O-CB 3.45Å; I222-R226 PolarHBondContact O-N 3.05Å; L224-R226 PolarHBondContact O-N 3.07Å; R226-I229 PolarHBondContact O-N 2.84Å; R226-L230 WeakPolarHBondContact O-CG 3.34Å; R226-L230 PolarHBondContact O-N 2.84Å; R226-L230 VanDerWaalsContact O-N 3.11Å |
| 227 | S | 97.9 | Very high | 95 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 48% | 0.476 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 111 | E223 L224 L225 I229 L230 T231 | E223-S227 PolarHBondContact O-N 3.48Å; E223-S227 PolarHBondContact O-OG 3.01Å; L224-S227 WeakPolarHBondContact O-CB 3.38Å; L224-S227 PolarHBondContact O-N 2.75Å; L225-S227 VanDerWaalsContact C-N 3.28Å; L225-S227 PolarHBondContact O-N 3.17Å; S227-I229 PolarHBondContact O-N 2.88Å; S227-L230 PolarHBondContact O-N 3.36Å; S227-T231 WeakPolarHBondContact O-CG2 3.24Å; S227-T231 PolarHBondContact O-N 2.91Å; S227-T231 VanDerWaalsContact O-N 3.16Å |
| 228 | W | 98.6 | Very high | 92.9 | Very high | 23 Ų | 23 | 61.3 Ų | 61.3 | 9% | 0.087 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.4 | -45.1 | 176.3 | 178.9 | 86.1 | 0 | 0 | 0 | 112.3 | I120 V145 F146 E174 F176 L224 L225 L230 T231 K232 | I120-W228 HydrophobicContact CD1-CE3 4.47Å; I120-W228 HydrophobicContact CD1-CH2 4.38Å; I120-W228 HydrophobicContact CD1-CZ3 3.89Å; I120-W228 HydrophobicContact CG2-CH2 4.36Å; I120-W228 HydrophobicContact CG2-CZ3 3.95Å; V145-W228 WeakPolarHBondContact O-CH2 3.38Å; F146-W228 HydrophobicContact CB-CZ3 4.15Å; F146-W228 HydrophobicContact CD1-CZ3 4.38Å; E174-W228 PolarHBondContact OE1-NE1 2.99Å; F176-W228 HydrophobicContact CB-CD2 3.72Å; F176-W228 HydrophobicContact CB-CE3 3.94Å; F176-W228 HydrophobicContact CB-CG 4.22Å; F176-W228 HydrophobicContact CB-CH2 4.09Å; F176-W228 HydrophobicContact CB-CZ2 3.89Å; F176-W228 HydrophobicContact CB-CZ3 4.12Å; F176-W228 HydrophobicContact CD2-CB 3.85Å; F176-W228 AromaticContact CD2-CD1 3.97Å; F176-W228 HydrophobicContact CD2-CD2 4.07Å; F176-W228 AromaticContact CD2-CG 3.69Å; F176-W228 HydrophobicContact CD2-CG 3.69Å; F176-W228 HydrophobicContact CE2-CB 4.15Å; F176-W228 HydrophobicContact CE2-CG 4.47Å; F176-W228 HydrophobicContact CG-CD2 4.16Å; F176-W228 HydrophobicContact CG-CE3 4.37Å; F176-W228 HydrophobicContact CG-CG 4.27Å; L224-W228 PolarHBondContact O-N 2.88Å; L225-W228 HydrophobicContact CD1-CE3 4.02Å; L225-W228 HydrophobicContact CD1-CZ3 4.44Å; L225-W228 PolarHBondContact O-N 3.01Å; W228-L230 VanDerWaalsContact C-N 3.3Å; W228-L230 PolarHBondContact O-N 3.18Å; W228-T231 PolarHBondContact O-N 3.31Å; W228-T231 PolarHBondContact O-OG1 3.41Å; W228-K232 HydrophobicContact CD2-CG 4.16Å; W228-K232 HydrophobicContact CH2-CG 4.37Å; W228-K232 HydrophobicContact CZ2-CD 4.41Å; W228-K232 HydrophobicContact CZ2-CG 3.96Å; W228-K232 VanDerWaalsContact NE1-CE 3.29Å; W228-K232 PolarHBondContact O-N 3.41Å |
| 229 | I | 98.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54 | -46.1 | 175.1 | -72.7 | 168 | 0 | 0 | 0 | 111.1 | V25 L50 F52 I55 I120 L225 R226 S227 T231 K232 L233 | V25-I229 HydrophobicContact CG2-CD1 4.3Å; V25-I229 HydrophobicContact CG2-CG2 3.99Å; L50-I229 HydrophobicContact CD2-CD1 4.19Å; F52-I229 HydrophobicContact CE1-CG2 4.17Å; F52-I229 HydrophobicContact CE2-CG2 4.33Å; F52-I229 HydrophobicContact CZ-CB 4.37Å; F52-I229 HydrophobicContact CZ-CD1 4.29Å; F52-I229 HydrophobicContact CZ-CG2 3.83Å; I55-I229 HydrophobicContact CD1-CG2 3.79Å; I120-I229 HydrophobicContact CD1-CB 4.32Å; I120-I229 HydrophobicContact CD1-CG1 4.05Å; I120-I229 HydrophobicContact CD1-CG2 4.26Å; L225-I229 HydrophobicContact CD1-CD1 4.08Å; L225-I229 HydrophobicContact CD1-CG1 4.18Å; L225-I229 HydrophobicContact CD2-CD1 4.48Å; L225-I229 HydrophobicContact CG-CD1 3.88Å; L225-I229 HydrophobicContact CG-CG1 4.41Å; L225-I229 WeakPolarHBondContact O-CG1 3.25Å; L225-I229 PolarHBondContact O-N 3.16Å; R226-I229 PolarHBondContact O-N 2.84Å; S227-I229 PolarHBondContact O-N 2.88Å; I229-T231 VanDerWaalsContact C-N 3.28Å; I229-T231 PolarHBondContact O-N 3.38Å; I229-K232 PolarHBondContact O-N 3.32Å; I229-L233 HydrophobicContact CG2-CD1 4.33Å; I229-L233 PolarHBondContact O-N 2.9Å |
| 230 | L | 97.5 | Very high | 88 | Confident | 68 Ų | 68 | 64.2 Ų | 64.2 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.1 | -28.6 | 179.9 | -72 | 171.7 | 0 | 0 | 0 | 113.1 | F52 I55 R226 S227 W228 | F52-L230 HydrophobicContact CD1-CD2 3.75Å; F52-L230 HydrophobicContact CD1-CG 4.26Å; F52-L230 HydrophobicContact CE1-CD1 4.49Å; F52-L230 HydrophobicContact CE1-CD2 4Å; F52-L230 HydrophobicContact CE1-CG 4Å; I55-L230 HydrophobicContact CD1-CD2 4.31Å; R226-L230 WeakPolarHBondContact O-CG 3.34Å; R226-L230 PolarHBondContact O-N 2.84Å; R226-L230 VanDerWaalsContact O-N 3.11Å; S227-L230 PolarHBondContact O-N 3.36Å; W228-L230 VanDerWaalsContact C-N 3.3Å; W228-L230 PolarHBondContact O-N 3.18Å |
| 231 | T | 97.6 | Very high | 85.1 | Confident | 75 Ų | 75 | 65.9 Ų | 65.9 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -70.8 | -35.1 | 174.2 | 70.5 | 0 | 0 | 0 | 0 | 112.7 | S227 W228 I229 R234 | S227-T231 WeakPolarHBondContact O-CG2 3.24Å; S227-T231 PolarHBondContact O-N 2.91Å; S227-T231 VanDerWaalsContact O-N 3.16Å; W228-T231 PolarHBondContact O-N 3.31Å; W228-T231 PolarHBondContact O-OG1 3.41Å; I229-T231 VanDerWaalsContact C-N 3.28Å; I229-T231 PolarHBondContact O-N 3.38Å; T231-R234 PolarHBondContact O-NE 3.02Å |
| 232 | K | 97.7 | Very high | 82.7 | Confident | 60 Ų | 60 | 69 Ų | 69 | 26% | 0.261 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -82.4 | -37.1 | -178.4 | -62.9 | -57.2 | 176.8 | -168.3 | 0 | 112.8 | I120 E174 W228 I229 | I120-K232 HydrophobicContact CD1-CB 3.85Å; I120-K232 HydrophobicContact CD1-CG 4.39Å; E174-K232 WeakPolarHBondContact OE1-CE 3.43Å; E174-K232 IonicContact OE1-NZ 3.35Å; E174-K232 PolarHBondContact OE1-NZ 2.81Å; E174-K232 IonicContact OE2-NZ 2.75Å; E174-K232 PolarHBondContact OE2-NZ 2.98Å; W228-K232 HydrophobicContact CD2-CG 4.16Å; W228-K232 HydrophobicContact CH2-CG 4.37Å; W228-K232 HydrophobicContact CZ2-CD 4.41Å; W228-K232 HydrophobicContact CZ2-CG 3.96Å; W228-K232 VanDerWaalsContact NE1-CE 3.29Å; W228-K232 PolarHBondContact O-N 3.41Å; I229-K232 PolarHBondContact O-N 3.32Å |
| 233 | L | 97.6 | Very high | 79.6 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -115.2 | 64 | -176.3 | -60.2 | 176.8 | 0 | 0 | 0 | 110.6 | A23 V25 H54 I55 R118 I120 A143 I229 | A23-L233 HydrophobicContact CB-CB 4.12Å; A23-L233 HydrophobicContact CB-CD1 4.09Å; A23-L233 HydrophobicContact CB-CD2 4.13Å; A23-L233 HydrophobicContact CB-CG 4.34Å; V25-L233 HydrophobicContact CG2-CD1 4.02Å; H54-L233 PolarHBondContact CE1-O 3.07Å; H54-L233 VanDerWaalsContact CE1-O 3.27Å; H54-L233 PolarHBondContact NE2-O 2.95Å; I55-L233 HydrophobicContact CD1-CB 3.78Å; I55-L233 HydrophobicContact CD1-CD1 4.19Å; I55-L233 HydrophobicContact CG1-CB 4.28Å; I55-L233 HydrophobicContact CG2-CD1 4.07Å; R118-L233 VanDerWaalsContact C-CD2 3.44Å; R118-L233 WeakPolarHBondContact O-CD2 3.48Å; I120-L233 HydrophobicContact CB-CD1 4.38Å; I120-L233 HydrophobicContact CD1-CD1 3.62Å; I120-L233 HydrophobicContact CD1-CG 3.76Å; I120-L233 HydrophobicContact CG1-CD1 3.83Å; I120-L233 HydrophobicContact CG1-CD2 4.43Å; I120-L233 HydrophobicContact CG1-CG 4.08Å; A143-L233 HydrophobicContact CB-CD2 3.74Å; I229-L233 HydrophobicContact CG2-CD1 4.33Å; I229-L233 PolarHBondContact O-N 2.9Å |
| 234 | R | 94.2 | Very high | 78.7 | Confident | 174 Ų | 174 | 82.6 Ų | 82.6 | 66% | 0.657 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 153.3 | 177.9 | -61.4 | -179.5 | -175.6 | -173 | -3.4 | 111.7 | R118 T231 | R118-R234 VanDerWaalsContact CZ-O 3.24Å; R118-R234 PolarHBondContact NH1-O 3.04Å; R118-R234 PolarHBondContact NH2-O 2.92Å; T231-R234 PolarHBondContact O-NE 3.02Å |
| 235 | P | 88.9 | Confident | 77.7 | Confident | 83 Ų | 83 | 83.5 Ų | 83.5 | 54% | 0.539 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -56 | 150.5 | 169.7 | -23 | 34.1 | 0 | 0 | 0 | 111.2 | ||
| 236 | D | 81.1 | Confident | 76.5 | Confident | 71 Ų | 71 | 88.1 Ų | 88.1 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 139.8 | 174.2 | -62.1 | -28.5 | 0 | 0 | 0 | 108.6 | S22 R118 L238 D239 | S22-D236 WeakPolarHBondContact CB-OD2 3.18Å; R118-D236 IonicContact CZ-OD1 3.3Å; R118-D236 IonicContact NE-OD1 2.83Å; R118-D236 IonicContact NH1-OD1 3.47Å; R118-D236 IonicContact NH2-OD1 3.86Å; R118-D236 PolarHBondContact NH2-OD1 3.4Å; D236-L238 PolarHBondContact O-N 3.35Å; D236-D239 PolarHBondContact O-N 3.38Å |
| 237 | S | 63.9 | Low | 75.3 | Confident | 113 Ų | 113 | 90.9 Ų | 90.9 | 79% | 0.79 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -64.7 | 3 | -172 | 49.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 238 | L | 53.6 | Low | 73.8 | Confident | 146 Ų | 146 | 92.3 Ų | 92.3 | 76% | 0.764 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -81.4 | -12.6 | 176.6 | -75 | 161.6 | 0 | 0 | 0 | 113.4 | D236 | D236-L238 PolarHBondContact O-N 3.35Š|
| 239 | D | 48.8 | Very low | 72.2 | Confident | 123 Ų | 123 | 96.9 Ų | 96.9 | 66% | 0.658 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -94 | 0.5 | -179.7 | -65.7 | -21.5 | 0 | 0 | 0 | 113.3 | D236 | D236-D239 PolarHBondContact O-N 3.38Š|
| 240 | A | 43.8 | Very low | 70.3 | Confident | 94 Ų | 94 | 103.9 Ų | 103.9 | 78% | 0.777 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -2.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 241 | S | 38.4 | Very low | 68.2 | Low | 113 Ų | 113 | 106.6 Ų | 106.6 | 79% | 0.79 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 22.2 | 179 | 61.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 242 | G | 46.9 | Very low | 65.8 | Low | 65 Ų | 65 | 109.3 Ų | 109.3 | 67% | 0.67 | 63% | 0.629 | S | S | * | * | trans | -127.1 | 50.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 243 | Q | 34.5 | Very low | 62.9 | Low | 269 Ų | 269 | 113.7 Ų | 113.7 | 100% | 1.257 | 66% | 0.662 | S | S | * | * | trans | -154.6 | 0 | 153.8 | -99.9 | 177.6 | 57.5 | 0 | 0 | 109.3 |
Retrieved 243 of 243 residues in 323.2 ms
(Link to these results)