| 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 | A | 60.8 | Low | 90.6 | Very high | 51 Ų | 51 | 57.9 Ų | 57.9 | 42% | 0.421 | 30% | 0.303 | S | S | . | . | 0 | 165.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111.2 | E59 E60 N61 | A1-E59 VanDerWaalsContact CB-O 3.3Å; A1-E59 WeakPolarHBondContact CB-O 3.48Å; A1-E59 PolarHBondContact N-O 3.09Å; A1-E59 VanDerWaalsContact N-O 3.09Å; A1-E60 VanDerWaalsContact CB-C 3.43Å; A1-E60 WeakPolarHBondContact CB-O 3.44Å; A1-N61 VanDerWaalsContact CA-OD1 3.23Å; A1-N61 WeakPolarHBondContact CA-OD1 3.06Å; A1-N61 WeakPolarHBondContact CB-OD1 3.42Å | |||
| 2 | I | 86.4 | Confident | 89 | Confident | 102 Ų | 102 | 57.3 Ų | 57.3 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | trans | -109.7 | 120.9 | 176.6 | -56.6 | 175.9 | 0 | 0 | 0 | 109 | K5 Q144 | I2-K5 HydrophobicContact CG2-CB 3.65Å; I2-K5 HydrophobicContact CG2-CD 3.61Å; I2-K5 HydrophobicContact CG2-CG 3.77Å; I2-Q144 PolarHBondContact O-NE2 2.87Å | ||
| 3 | C | 95.8 | Very high | 87 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 16% | 0.155 | 31% | 0.31 | C | S | . | . | trans | -101.2 | 159.8 | 170.8 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | K5 H56 G145 C147 | C3-K5 PolarHBondContact O-N 3.09Å; C3-H56 HydrophobicContact CB-CB 3.36Å; C3-H56 WeakPolarHBondContact CB-CD2 3.19Å; C3-H56 VanDerWaalsContact SG-CD2 3.59Å; C3-G145 WeakPolarHBondContact CA-O 3.3Å; C3-G145 WeakPolarHBondContact CB-O 2.96Å; C3-C147 HydrophobicContact CB-CB 4.08Å; C3-C147 WeakPolarHBondContact CB-SG 2.9Å; C3-C147 PolarHBondContact O-SG 2.84Å; C3-C147 WeakPolarHBondContact SG-CA 3.23Å; C3-C147 WeakPolarHBondContact SG-CB 3Å; C3-C147 CovalentContact SG-SG 2.03Å; C3-C147 PolarHBondContact SG-SG 2.81Å | ||
| 4 | G | 96.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 59.3 | 19 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115 | G145 Y229 | G4-G145 PolarHBondContact N-O 3.18Å; G4-Y229 WeakPolarHBondContact O-CD2 3.42Å; G4-Y229 PolarHBondContact O-N 2.97Å |
| 5 | K | 96.5 | Very high | 82.1 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | trans | -125.7 | 88 | 177.9 | -63.3 | -168.6 | -174.6 | 172.4 | 0 | 108 | I2 C3 Q144 T228 | I2-K5 HydrophobicContact CG2-CB 3.65Å; I2-K5 HydrophobicContact CG2-CD 3.61Å; I2-K5 HydrophobicContact CG2-CG 3.77Å; C3-K5 PolarHBondContact O-N 3.09Å; K5-Q144 VanDerWaalsContact C-OE1 3.29Å; K5-Q144 PolarHBondContact O-NE2 3Å; K5-Q144 PolarHBondContact O-OE1 2.63Å; K5-Q144 VanDerWaalsContact O-OE1 3.11Å; K5-T228 WeakPolarHBondContact CE-OG1 3.48Å; K5-T228 HydrophobicContact CG-CG2 4.32Å | ||
| 6 | P | 96.5 | Very high | 79.6 | Confident | 8 Ų | 8 | 73.4 Ų | 73.4 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | trans | -66.1 | 143 | -177.1 | 28.5 | -34.4 | 0 | 0 | 0 | 110.9 | F8 P10 S32 P34 W35 Y229 | P6-F8 VanDerWaalsContact C-N 3.33Å; P6-P10 HydrophobicContact CG-CG 4.38Å; P6-S32 VanDerWaalsContact CB-O 3.3Å; P6-S32 WeakPolarHBondContact CB-O 3.04Å; P6-P34 HydrophobicContact CB-CG 3.98Å; P6-W35 HydrophobicContact CG-CH2 4.49Å; P6-Y229 HydrophobicContact CG-CE2 4.43Å | ||
| 7 | F | 96.3 | Very high | 77.3 | Confident | 128 Ų | 128 | 79.1 Ų | 79.1 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -64.6 | -41.5 | 171.9 | -179.2 | -91.1 | 0 | 0 | 0 | 111.1 | H141 | F7-H141 HydrophobicContact CB-CB 4.1Å; F7-H141 HydrophobicContact CD1-CB 4.17Å; F7-H141 AromaticContact CD2-CD2 3.63Å; F7-H141 AromaticContact CD2-NE2 3.75Å; F7-H141 AromaticContact CE2-CE1 3.91Å; F7-H141 AromaticContact CE2-NE2 3.82Å; F7-H141 HydrophobicContact CG-CB 4.09Å; F7-H141 AromaticContact CG-CD2 3.82Å; F7-H141 AromaticContact CG-CG 3.85Å |
| 8 | F | 95.9 | Very high | 75.1 | Confident | 43 Ų | 43 | 80.9 Ų | 80.9 | 19% | 0.189 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -92.5 | 102.2 | 174.6 | -55.5 | -75.6 | 0 | 0 | 0 | 109.6 | P6 H31 S32 H141 F142 | P6-F8 VanDerWaalsContact C-N 3.33Å; F8-H31 HydrophobicContact CD2-CB 3.69Å; F8-H31 HydrophobicContact CE2-CB 4.03Å; F8-S32 WeakPolarHBondContact O-CA 3.07Å; F8-S32 WeakPolarHBondContact O-CB 3.46Å; F8-H141 WeakPolarHBondContact CD2-O 3.36Å; F8-H141 HydrophobicContact CE2-CB 4.01Å; F8-H141 WeakPolarHBondContact CE2-O 3.33Å; F8-H141 HydrophobicContact CZ-CB 4.48Å; F8-F142 HydrophobicContact CE2-CD1 4.01Å; F8-F142 AromaticContact CE2-CE1 3.92Å; F8-F142 HydrophobicContact CE2-CE1 3.92Å; F8-F142 HydrophobicContact CZ-CE1 4.12Å |
| 9 | E | 93.8 | Very high | 73.1 | Confident | 83 Ų | 83 | 81 Ų | 81 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | trans | -59.5 | 132.5 | 179.2 | -75.9 | -67.5 | 152.5 | 0 | 0 | 111.9 | T11 R29 K224 | E9-T11 PolarHBondContact O-N 2.85Å; E9-R29 WeakPolarHBondContact O-CD 3.4Å; E9-R29 PolarHBondContact O-NH1 3.31Å; E9-K224 IonicContact OE2-NZ 2.71Å; E9-K224 PolarHBondContact OE2-NZ 3.35Å | ||
| 10 | P | 92.3 | Very high | 71.2 | Confident | 16 Ų | 16 | 80.5 Ų | 80.5 | 10% | 0.104 | 46% | 0.457 | C | S | . | . | trans | -57.8 | 132 | 171.3 | -27.2 | 35.2 | 0 | 0 | 0 | 112.2 | P6 V12 S32 Y33 Y229 | P6-P10 HydrophobicContact CG-CG 4.38Å; P10-V12 HydrophobicContact CB-CG2 3.68Å; P10-V12 PolarHBondContact O-N 3.01Å; P10-S32 WeakPolarHBondContact CG-O 3.08Å; P10-Y33 HydrophobicContact CB-CE1 4.29Å; P10-Y33 HydrophobicContact CB-CE2 4.12Å; P10-Y33 WeakPolarHBondContact CB-OH 3.43Å; P10-Y33 HydrophobicContact CG-CD1 4.48Å; P10-Y33 HydrophobicContact CG-CE1 3.88Å; P10-Y33 HydrophobicContact CG-CE2 4.23Å; P10-Y229 HydrophobicContact CG-CE2 4.39Å | ||
| 11 | T | 85.1 | Confident | 69.6 | Low | 83 Ų | 83 | 88 Ų | 88 | 51% | 0.509 | 48% | 0.478 | S | S | . | . | trans | -79.2 | 87 | 169.3 | 45.9 | 0 | 0 | 0 | 0 | 107.9 | E9 R26 | E9-T11 PolarHBondContact O-N 2.85Å; T11-R26 PolarHBondContact O-NH1 3.18Å; T11-R26 PolarHBondContact O-NH2 3.16Å | ||
| 12 | V | 71.8 | Confident | 68.3 | Low | 50 Ų | 50 | 87.8 Ų | 87.8 | 30% | 0.303 | 47% | 0.469 | S | S | . | . | trans | -103.9 | 110.7 | 178.3 | -163.3 | 0 | 0 | 0 | 0 | 113.6 | P10 Y33 V162 M182 | P10-V12 HydrophobicContact CB-CG2 3.68Å; P10-V12 PolarHBondContact O-N 3.01Å; V12-Y33 WeakPolarHBondContact CG2-OH 3.36Å; V12-V162 HydrophobicContact CG1-CG2 4.43Å; V12-V162 HydrophobicContact CG2-CG2 4.35Å; V12-M182 HydrophobicContact CB-CE 4.47Å; V12-M182 HydrophobicContact CG1-CE 3.36Å; V12-M182 HydrophobicContact CG1-SD 4.46Å | ||
| 13 | S | 62.6 | Low | 66.3 | Low | 55 Ų | 55 | 83.6 Ų | 83.6 | 39% | 0.385 | 45% | 0.451 | S | S | . | . | trans | -114 | 127.1 | 175.5 | 67.3 | 0 | 0 | 0 | 0 | 110 | R15 R26 | S13-R15 PolarHBondContact O-N 3.16Å; S13-R15 PolarHBondContact OG-O 2.85Å; S13-R26 PolarHBondContact OG-NH1 3.35Å | ||
| 14 | N | 54.3 | Low | 64.3 | Low | 115 Ų | 115 | 88.6 Ų | 88.6 | 62% | 0.615 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -73.6 | -4.8 | 169.5 | -67.7 | -5.4 | 0 | 0 | 0 | 112.9 | M182 | N14-M182 WeakPolarHBondContact OD1-CE 3.3Š|
| 15 | R | 47.2 | Very low | 62.5 | Low | 212 Ų | 212 | 89.2 Ų | 89.2 | 80% | 0.8 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -91.1 | 122.5 | -179.9 | -63.5 | -173.2 | -176.3 | -175.1 | 1.3 | 109.4 | S13 K17 | S13-R15 PolarHBondContact O-N 3.16Å; S13-R15 PolarHBondContact OG-O 2.85Å; R15-K17 PolarHBondContact O-N 3.01Å |
| 16 | P | 41.1 | Very low | 61.8 | Low | 106 Ų | 106 | 87 Ų | 87 | 69% | 0.688 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 123.6 | 165.4 | 12.3 | -13.1 | 0 | 0 | 0 | 108.2 | A18 | P16-A18 PolarHBondContact O-N 2.84Š|
| 17 | K | 41.1 | Very low | 61.4 | Low | 170 Ų | 170 | 89.9 Ų | 89.9 | 74% | 0.739 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 119 | 165.2 | -85.7 | -173.3 | 175.2 | -177 | 0 | 107 | R15 G19 S20 | R15-K17 PolarHBondContact O-N 3.01Å; K17-G19 PolarHBondContact O-N 2.03Å; K17-S20 PolarHBondContact O-N 3.22Å |
| 18 | A | 38.3 | Very low | 61.3 | Low | 111 Ų | 111 | 83.9 Ų | 83.9 | 92% | 0.917 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 125 | 166 | 0 | 0 | 0 | 0 | 0 | 108.9 | P16 | P16-A18 PolarHBondContact O-N 2.84Š|
| 19 | G | 35.9 | Very low | 61.2 | Low | 83 Ų | 83 | 86.8 Ų | 86.8 | 86% | 0.856 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | 11.1 | 175 | 0 | 0 | 0 | 0 | 0 | 117.6 | K17 R21 | K17-G19 PolarHBondContact O-N 2.03Å; G19-R21 PolarHBondContact O-N 2.96Å |
| 20 | S | 36.3 | Very low | 61.3 | Low | 70 Ų | 70 | 85.5 Ų | 85.5 | 49% | 0.49 | 46% | 0.458 | S | S | . | . | trans | -84.5 | 104.7 | 172.8 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | K17 I22 | K17-S20 PolarHBondContact O-N 3.22Å; S20-I22 PolarHBondContact O-N 3.06Å | ||
| 21 | R | 36.1 | Very low | 61.5 | Low | 240 Ų | 240 | 86.8 Ų | 86.8 | 91% | 0.906 | 46% | 0.463 | S | S | * | . | trans | -83.1 | 76.5 | 179.7 | -173.5 | -168.3 | -94 | 167.2 | -9.4 | 112 | G19 | G19-R21 PolarHBondContact O-N 2.96Š| ||
| 22 | I | 35.4 | Very low | 62 | Low | 45 Ų | 45 | 82.9 Ų | 82.9 | 23% | 0.231 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -142.3 | 145.1 | 158.5 | -60.2 | -176.4 | 0 | 0 | 0 | 104.1 | S20 Y24 G25 I169 | S20-I22 PolarHBondContact O-N 3.06Å; I22-Y24 PolarHBondContact O-N 2.99Å; I22-G25 WeakPolarHBondContact CB-O 3.19Å; I22-G25 WeakPolarHBondContact CG2-O 3.49Å; I22-I169 HydrophobicContact CG2-CG2 4.21Å |
| 23 | G | 43.1 | Very low | 63.3 | Low | 15 Ų | 15 | 80.8 Ų | 80.8 | 16% | 0.155 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -57 | 70.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | G25 | G23-G25 PolarHBondContact O-N 3.3Š|
| 24 | Y | 53.6 | Low | 64.9 | Low | 128 Ų | 128 | 78.4 Ų | 78.4 | 50% | 0.502 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 51.2 | 0.5 | 172.5 | -55.8 | -67.3 | 0 | 0 | 0 | 119.1 | I22 I181 M207 E208 D209 | I22-Y24 PolarHBondContact O-N 2.99Å; Y24-I181 WeakPolarHBondContact O-CD1 3.37Å; Y24-M207 HydrophobicContact CD1-CE 3.36Å; Y24-M207 HydrophobicContact CE1-CE 4.25Å; Y24-M207 HydrophobicContact CG-CE 3.93Å; Y24-E208 WeakPolarHBondContact CD2-O 3.46Å; Y24-E208 WeakPolarHBondContact CE2-O 3.19Å; Y24-D209 HydrophobicContact CD2-CB 4.47Å; Y24-D209 HydrophobicContact CE2-CB 4.47Å |
| 25 | G | 60.3 | Low | 67 | Low | 13 Ų | 13 | 72.9 Ų | 72.9 | 13% | 0.134 | 38% | 0.379 | C | S | . | . | trans | -80.4 | 161.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 111 | I22 G23 | I22-G25 WeakPolarHBondContact CB-O 3.19Å; I22-G25 WeakPolarHBondContact CG2-O 3.49Å; G23-G25 PolarHBondContact O-N 3.3Å | ||
| 26 | R | 80.6 | Confident | 69.5 | Low | 53 Ų | 53 | 63 Ų | 63 | 20% | 0.2 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150.5 | 171.1 | 63.4 | -156.4 | 165.8 | 108.8 | 42.4 | 109.7 | T11 S13 A28 Q179 Q180 | T11-R26 PolarHBondContact O-NH1 3.18Å; T11-R26 PolarHBondContact O-NH2 3.16Å; S13-R26 PolarHBondContact OG-NH1 3.35Å; R26-A28 PolarHBondContact O-N 3.22Å; R26-Q179 PolarHBondContact O-OE1 2.95Å; R26-Q180 HydrophobicContact CG-CG 3.78Å; R26-Q180 PolarHBondContact N-O 2.83Å; R26-Q180 WeakPolarHBondContact O-CG 3.36Å; R26-Q180 PolarHBondContact O-N 3.1Å |
| 27 | E | 89.3 | Confident | 72.2 | Confident | 69 Ų | 69 | 58 Ų | 58 | 32% | 0.322 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 130.2 | 175.7 | -165 | -178.6 | 139.8 | 0 | 0 | 109 | H97 R177 Q180 | E27-H97 IonicContact OE1-CD2 2.95Å; E27-H97 IonicContact OE1-CE1 2.82Å; E27-H97 IonicContact OE1-NE2 3.46Å; E27-H97 PolarHBondContact OE1-NE2 3.29Å; E27-R177 VanDerWaalsContact CD-CD 3.4Å; E27-R177 HydrophobicContact CG-CB 4.13Å; E27-R177 WeakPolarHBondContact OE1-CD 3.37Å; E27-R177 IonicContact OE1-NH1 2.75Å; E27-R177 VanDerWaalsContact OE2-CD 3.25Å; E27-R177 WeakPolarHBondContact OE2-CD 3.42Å; E27-R177 IonicContact OE2-CZ 3.67Å; E27-R177 IonicContact OE2-NH1 3.08Å; E27-R177 PolarHBondContact OE2-NH1 3.14Å; E27-Q180 PolarHBondContact O-NE2 3.05Å |
| 28 | A | 92.9 | Very high | 75 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 146.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | R26 P30 Y33 H97 L178 Q180 | R26-A28 PolarHBondContact O-N 3.22Å; A28-P30 WeakPolarHBondContact O-CD 3.23Å; A28-Y33 HydrophobicContact CB-CD2 4.01Å; A28-Y33 HydrophobicContact CB-CE2 4.04Å; A28-H97 PolarHBondContact O-CE1 3.32Å; A28-L178 HydrophobicContact CB-CB 4.17Å; A28-L178 HydrophobicContact CB-CD2 3.99Å; A28-L178 HydrophobicContact CB-CG 3.94Å; A28-L178 WeakPolarHBondContact CB-O 3.39Å; A28-L178 PolarHBondContact N-O 2.98Å; A28-Q180 HydrophobicContact CB-CB 4.39Å; A28-Q180 HydrophobicContact CB-CG 4.09Å |
| 29 | R | 94.4 | Very high | 77.8 | Confident | 103 Ų | 103 | 46.8 Ų | 46.8 | 39% | 0.389 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -59.2 | 129.8 | 163.8 | 178 | -173.7 | -178.5 | -179.8 | 1.7 | 106.7 | E9 H31 S32 | E9-R29 WeakPolarHBondContact O-CD 3.4Å; E9-R29 PolarHBondContact O-NH1 3.31Å; R29-H31 PolarHBondContact O-N 3.21Å; R29-S32 VanDerWaalsContact O-CB 3.24Å; R29-S32 WeakPolarHBondContact O-CB 3.35Å; R29-S32 PolarHBondContact O-N 3.39Å; R29-S32 PolarHBondContact O-OG 3.46Å |
| 30 | P | 95.2 | Very high | 80.7 | Confident | 56 Ų | 56 | 44.2 Ų | 44.2 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 132 | 180 | -29.1 | 33.3 | 0 | 0 | 0 | 111.5 | A28 S32 H97 | A28-P30 WeakPolarHBondContact O-CD 3.23Å; P30-S32 PolarHBondContact O-N 3.43Å; P30-S32 VanDerWaalsContact O-N 3.15Å; P30-H97 HydrophobicContact CB-CB 4.26Å |
| 31 | H | 96.3 | Very high | 83.4 | Confident | 44 Ų | 44 | 40.9 Ų | 40.9 | 20% | 0.204 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 15.3 | 177.1 | -43.1 | -69.5 | 0 | 0 | 0 | 115.8 | F8 R29 Y33 G95 F142 | F8-H31 HydrophobicContact CD2-CB 3.69Å; F8-H31 HydrophobicContact CE2-CB 4.03Å; R29-H31 PolarHBondContact O-N 3.21Å; H31-Y33 VanDerWaalsContact C-N 3.29Å; H31-Y33 PolarHBondContact O-N 3.32Å; H31-G95 PolarHBondContact CE1-O 3.34Å; H31-G95 PolarHBondContact ND1-O 2.96Å; H31-G95 VanDerWaalsContact ND1-O 3.13Å; H31-F142 HydrophobicContact CB-CD1 4.05Å; H31-F142 AromaticContact CD2-CD1 3.6Å; H31-F142 AromaticContact CD2-CE1 4Å; H31-F142 AromaticContact CE1-CD1 3.96Å; H31-F142 AromaticContact CG-CD1 3.55Å; H31-F142 AromaticContact ND1-CD1 3.79Å; H31-F142 AromaticContact NE2-CD1 3.87Å |
| 32 | S | 96.8 | Very high | 86 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -77.8 | -12.1 | 177.9 | 61.4 | 0 | 0 | 0 | 0 | 115.1 | P6 F8 P10 R29 P30 P34 | P6-S32 VanDerWaalsContact CB-O 3.3Å; P6-S32 WeakPolarHBondContact CB-O 3.04Å; F8-S32 WeakPolarHBondContact O-CA 3.07Å; F8-S32 WeakPolarHBondContact O-CB 3.46Å; P10-S32 WeakPolarHBondContact CG-O 3.08Å; R29-S32 VanDerWaalsContact O-CB 3.24Å; R29-S32 WeakPolarHBondContact O-CB 3.35Å; R29-S32 PolarHBondContact O-N 3.39Å; R29-S32 PolarHBondContact O-OG 3.46Å; P30-S32 PolarHBondContact O-N 3.43Å; P30-S32 VanDerWaalsContact O-N 3.15Å; S32-P34 VanDerWaalsContact C-CD 3.46Å; S32-P34 WeakPolarHBondContact O-CD 3.37Å |
| 33 | Y | 97.9 | Very high | 88.2 | Confident | 6 Ų | 6 | 34 Ų | 34 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -123.5 | 68.5 | 173.5 | -60.1 | -82.5 | 0 | 0 | 0 | 109.4 | P10 V12 A28 H31 W35 Q36 V162 T164 L178 Q180 | P10-Y33 HydrophobicContact CB-CE1 4.29Å; P10-Y33 HydrophobicContact CB-CE2 4.12Å; P10-Y33 WeakPolarHBondContact CB-OH 3.43Å; P10-Y33 HydrophobicContact CG-CD1 4.48Å; P10-Y33 HydrophobicContact CG-CE1 3.88Å; P10-Y33 HydrophobicContact CG-CE2 4.23Å; V12-Y33 WeakPolarHBondContact CG2-OH 3.36Å; A28-Y33 HydrophobicContact CB-CD2 4.01Å; A28-Y33 HydrophobicContact CB-CE2 4.04Å; H31-Y33 VanDerWaalsContact C-N 3.29Å; H31-Y33 PolarHBondContact O-N 3.32Å; Y33-W35 HydrophobicContact CD1-CH2 4.35Å; Y33-W35 AromaticContact CD1-CZ2 3.61Å; Y33-W35 HydrophobicContact CD1-CZ2 3.61Å; Y33-W35 HydrophobicContact CE1-CZ2 4.4Å; Y33-W35 PolarHBondContact O-N 3.27Å; Y33-Q36 WeakPolarHBondContact O-CB 3.48Å; Y33-Q36 PolarHBondContact O-N 2.9Å; Y33-V162 HydrophobicContact CE1-CB 4.4Å; Y33-V162 HydrophobicContact CE1-CG1 3.98Å; Y33-V162 WeakPolarHBondContact OH-CG1 3.37Å; Y33-T164 HydrophobicContact CD1-CG2 3.92Å; Y33-T164 HydrophobicContact CD2-CG2 3.69Å; Y33-T164 HydrophobicContact CE1-CG2 4.03Å; Y33-T164 HydrophobicContact CE2-CG2 3.78Å; Y33-T164 HydrophobicContact CG-CG2 3.76Å; Y33-L178 HydrophobicContact CD2-CD2 4.35Å; Y33-Q180 HydrophobicContact CE2-CB 4.09Å; Y33-Q180 HydrophobicContact CE2-CG 4.48Å; Y33-Q180 VanDerWaalsContact CE2-OE1 3.31Å; Y33-Q180 PolarHBondContact OH-OE1 3.04Å |
| 34 | P | 97.9 | Very high | 90 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -7.3 | -167.8 | 31.1 | -39.8 | 0 | 0 | 0 | 114.3 | P6 S32 F142 I143 Q144 | P6-P34 HydrophobicContact CB-CG 3.98Å; S32-P34 VanDerWaalsContact C-CD 3.46Å; S32-P34 WeakPolarHBondContact O-CD 3.37Å; P34-F142 WeakPolarHBondContact CB-O 3.33Å; P34-I143 WeakPolarHBondContact O-CA 3.27Å; P34-Q144 CarbonylContact C-O 3.53Å; P34-Q144 VanDerWaalsContact C-O 3.27Å; P34-Q144 HydrophobicContact CB-CB 4.03Å; P34-Q144 HydrophobicContact CG-CB 3.85Å; P34-Q144 PolarHBondContact O-N 3.08Å; P34-Q144 VanDerWaalsContact O-N 3.09Å |
| 35 | W | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -20.2 | 171.8 | 50.2 | 83.3 | 0 | 0 | 0 | 113.2 | P6 Y33 V37 S53 L54 Q144 I146 A222 Y229 | P6-W35 HydrophobicContact CG-CH2 4.49Å; Y33-W35 HydrophobicContact CD1-CH2 4.35Å; Y33-W35 AromaticContact CD1-CZ2 3.61Å; Y33-W35 HydrophobicContact CD1-CZ2 3.61Å; Y33-W35 HydrophobicContact CE1-CZ2 4.4Å; Y33-W35 PolarHBondContact O-N 3.27Å; W35-V37 PolarHBondContact O-N 3.42Å; W35-S53 CarbonylContact O-C 3.4Å; W35-S53 VanDerWaalsContact O-CA 3.27Å; W35-S53 WeakPolarHBondContact O-CA 3.23Å; W35-L54 PolarHBondContact O-N 2.94Å; W35-Q144 WeakPolarHBondContact CA-O 3.47Å; W35-Q144 VanDerWaalsContact CB-O 3.26Å; W35-Q144 WeakPolarHBondContact CB-O 3.39Å; W35-Q144 PolarHBondContact N-O 3.1Å; W35-Q144 VanDerWaalsContact N-O 3.09Å; W35-I146 HydrophobicContact CB-CB 3.76Å; W35-I146 HydrophobicContact CB-CG2 4.2Å; W35-I146 HydrophobicContact CD2-CB 3.81Å; W35-I146 HydrophobicContact CD2-CD1 4.05Å; W35-I146 HydrophobicContact CD2-CG1 4.17Å; W35-I146 HydrophobicContact CE3-CB 4.19Å; W35-I146 HydrophobicContact CG-CB 3.61Å; W35-I146 HydrophobicContact CG-CD1 4.21Å; W35-I146 HydrophobicContact CG-CG1 4.35Å; W35-I146 HydrophobicContact CG-CG2 4.29Å; W35-I146 HydrophobicContact CZ2-CD1 4.12Å; W35-A222 HydrophobicContact CZ2-CB 4.37Å; W35-Y229 VanDerWaalsContact CH2-CB 3.47Å; W35-Y229 HydrophobicContact CH2-CD1 4.19Å; W35-Y229 AromaticContact CH2-CD2 3.6Å; W35-Y229 HydrophobicContact CH2-CD2 3.6Å; W35-Y229 HydrophobicContact CH2-CE2 4.35Å; W35-Y229 AromaticContact CH2-CG 3.5Å; W35-Y229 HydrophobicContact CH2-CG 3.5Å; W35-Y229 VanDerWaalsContact CH2-CG 3.5Å; W35-Y229 HydrophobicContact CZ2-CD1 4.14Å; W35-Y229 HydrophobicContact CZ2-CD2 4.35Å; W35-Y229 AromaticContact CZ2-CG 3.85Å; W35-Y229 HydrophobicContact CZ2-CG 3.85Å; W35-Y229 HydrophobicContact CZ3-CD2 4.48Å |
| 36 | Q | 98.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 130.9 | -179 | 177.7 | 73.4 | 54.6 | 0 | 0 | 109.2 | Y33 G52 T164 W166 L178 S219 | Y33-Q36 WeakPolarHBondContact O-CB 3.48Å; Y33-Q36 PolarHBondContact O-N 2.9Å; Q36-G52 PolarHBondContact NE2-O 3.49Å; Q36-T164 PolarHBondContact OE1-O 3.4Å; Q36-T164 PolarHBondContact OE1-OG1 3.35Å; Q36-W166 HydrophobicContact CB-CH2 4.44Å; Q36-W166 HydrophobicContact CG-CE3 4.4Å; Q36-W166 HydrophobicContact CG-CH2 3.37Å; Q36-W166 HydrophobicContact CG-CZ2 4.39Å; Q36-W166 HydrophobicContact CG-CZ3 3.37Å; Q36-L178 HydrophobicContact CB-CD2 4.36Å; Q36-L178 HydrophobicContact CG-CD1 3.79Å; Q36-L178 HydrophobicContact CG-CD2 4.22Å; Q36-S219 PolarHBondContact NE2-OG 3Å |
| 37 | V | 98.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 150.8 | 171.5 | -55.6 | 0 | 0 | 0 | 0 | 111 | W35 I39 G51 G52 L54 I66 V92 Y93 L94 W166 | W35-V37 PolarHBondContact O-N 3.42Å; V37-I39 HydrophobicContact CG2-CD1 4.35Å; V37-I39 HydrophobicContact CG2-CG1 4.06Å; V37-G51 WeakPolarHBondContact O-CA 3.28Å; V37-G52 VanDerWaalsContact CG2-C 3.44Å; V37-G52 PolarHBondContact N-O 3.11Å; V37-G52 PolarHBondContact O-N 2.96Å; V37-G52 VanDerWaalsContact O-N 3.1Å; V37-L54 HydrophobicContact CG1-CB 4.42Å; V37-I66 HydrophobicContact CG1-CD1 3.93Å; V37-I66 HydrophobicContact CG2-CD1 4.22Å; V37-I66 HydrophobicContact CG2-CG2 3.62Å; V37-V92 HydrophobicContact CB-CG1 3.75Å; V37-V92 HydrophobicContact CG1-CG1 4.11Å; V37-V92 HydrophobicContact CG2-CG1 3.93Å; V37-Y93 WeakPolarHBondContact CA-O 3.21Å; V37-L94 HydrophobicContact CG1-CB 4.39Å; V37-L94 HydrophobicContact CG1-CD2 3.76Å; V37-L94 HydrophobicContact CG1-CG 3.72Å; V37-W166 WeakPolarHBondContact O-CZ3 3.21Å |
| 38 | Y | 98.2 | Very high | 92.7 | Very high | 46 Ų | 46 | 41.5 Ų | 41.5 | 18% | 0.18 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 131.6 | 168.8 | 177.6 | -89.7 | 0 | 0 | 0 | 108.5 | A40 T49 V92 Y93 V99 W166 | Y38-A40 HydrophobicContact CE1-CB 4.11Å; Y38-T49 HydrophobicContact CE1-CG2 4.49Å; Y38-T49 HydrophobicContact CE2-CG2 4.25Å; Y38-T49 WeakPolarHBondContact OH-CG2 3.08Å; Y38-V92 WeakPolarHBondContact O-CA 3.4Å; Y38-Y93 AromaticContact CD1-CD2 3.69Å; Y38-Y93 HydrophobicContact CD1-CD2 3.69Å; Y38-Y93 HydrophobicContact CD1-CE2 4.18Å; Y38-Y93 HydrophobicContact CD1-CG 4.32Å; Y38-Y93 HydrophobicContact CE1-CD2 4.38Å; Y38-Y93 HydrophobicContact CE1-CE2 4.44Å; Y38-Y93 PolarHBondContact N-O 2.95Å; Y38-Y93 PolarHBondContact O-N 3.2Å; Y38-V99 HydrophobicContact CD1-CG1 4.48Å; Y38-V99 HydrophobicContact CD2-CG1 3.75Å; Y38-V99 HydrophobicContact CE2-CG1 4.16Å; Y38-V99 HydrophobicContact CE2-CG2 4.48Å; Y38-V99 HydrophobicContact CG-CG1 3.9Å; Y38-W166 HydrophobicContact CD2-CB 4.39Å; Y38-W166 HydrophobicContact CD2-CD2 4.16Å; Y38-W166 AromaticContact CD2-CE3 3.88Å; Y38-W166 HydrophobicContact CD2-CE3 3.88Å; Y38-W166 HydrophobicContact CD2-CG 4.41Å; Y38-W166 HydrophobicContact CD2-CZ3 4.44Å; Y38-W166 HydrophobicContact CG-CE3 4.46Å |
| 39 | I | 98.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.1 | -177.3 | -56.1 | 176.9 | 0 | 0 | 0 | 107.5 | V37 T49 C50 G51 I66 T68 I90 V92 L131 | V37-I39 HydrophobicContact CG2-CD1 4.35Å; V37-I39 HydrophobicContact CG2-CG1 4.06Å; I39-T49 CarbonylContact O-C 3.58Å; I39-T49 WeakPolarHBondContact O-CA 3.13Å; I39-C50 HydrophobicContact CB-CB 4.24Å; I39-C50 PolarHBondContact N-O 2.87Å; I39-C50 PolarHBondContact O-N 3.06Å; I39-G51 WeakPolarHBondContact CD1-O 3.17Å; I39-I66 HydrophobicContact CD1-CG2 4.05Å; I39-T68 HydrophobicContact CD1-CG2 3.89Å; I39-I90 HydrophobicContact CG2-CG2 3.73Å; I39-V92 HydrophobicContact CG1-CG2 4.45Å; I39-L131 HydrophobicContact CD1-CD1 3.91Å; I39-L131 HydrophobicContact CG2-CD1 4.3Å |
| 40 | A | 95.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 39 Ų | 39 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.7 | 169 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y38 I90 T91 Y93 | Y38-A40 HydrophobicContact CE1-CB 4.11Å; A40-I90 WeakPolarHBondContact O-CA 3.48Å; A40-T91 PolarHBondContact N-O 2.88Å; A40-T91 PolarHBondContact O-N 3.31Å; A40-Y93 HydrophobicContact CB-CE2 4.26Å |
| 41 | S | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 143.9 | 175.7 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | A47 Q48 C72 | S41-A47 WeakPolarHBondContact O-CA 3.27Å; S41-Q48 PolarHBondContact N-O 2.84Å; S41-Q48 PolarHBondContact O-N 3.23Å; S41-C72 PolarHBondContact OG-O 3.48Å |
| 42 | K | 90.1 | Very high | 93.2 | Very high | 124 Ų | 124 | 34.3 Ų | 34.3 | 54% | 0.539 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.7 | 172.2 | -63.6 | -179.6 | 179.9 | 178.8 | 0 | 110.6 | M46 A85 E89 | K42-M46 CarbonylContact C-O 3.55Å; K42-M46 WeakPolarHBondContact CA-O 3.49Å; K42-A85 WeakPolarHBondContact O-CB 3.26Å; K42-E89 HydrophobicContact CB-CB 4.22Å; K42-E89 PolarHBondContact N-O 3.02Å |
| 43 | F | 83.1 | Confident | 93.3 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 79.8 | 173.7 | -59.6 | -88.4 | 0 | 0 | 0 | 107.9 | A45 M46 Q48 I73 D75 K83 A85 | F43-A45 PolarHBondContact O-N 3.09Å; F43-A45 VanDerWaalsContact O-N 3.11Å; F43-M46 HydrophobicContact CB-CB 4.44Å; F43-M46 PolarHBondContact N-O 2.71Å; F43-M46 PolarHBondContact O-N 2.63Å; F43-M46 VanDerWaalsContact O-N 3.12Å; F43-Q48 HydrophobicContact CE2-CB 4.03Å; F43-I73 VanDerWaalsContact CE1-O 3.23Å; F43-I73 WeakPolarHBondContact CE1-O 3.42Å; F43-D75 HydrophobicContact CD1-CB 3.72Å; F43-D75 HydrophobicContact CD2-CB 4.35Å; F43-D75 HydrophobicContact CE1-CB 3.75Å; F43-D75 VanDerWaalsContact CE1-N 3.32Å; F43-D75 HydrophobicContact CE2-CB 4.38Å; F43-D75 HydrophobicContact CG-CB 4.02Å; F43-D75 HydrophobicContact CZ-CB 4.09Å; F43-K83 HydrophobicContact CD1-CB 4.37Å; F43-A85 HydrophobicContact CD1-CB 4.13Å; F43-A85 HydrophobicContact CE1-CB 3.84Å; F43-A85 HydrophobicContact CZ-CB 4.18Å |
| 44 | G | 80.1 | Confident | 93.3 | Very high | 60 Ų | 60 | 34 Ų | 34 | 62% | 0.619 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | -115.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 45 | A | 79.3 | Confident | 93.3 | Very high | 113 Ų | 113 | 33.8 Ų | 33.8 | 93% | 0.934 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -14 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F43 | F43-A45 PolarHBondContact O-N 3.09Å; F43-A45 VanDerWaalsContact O-N 3.11Å |
| 46 | M | 83.4 | Confident | 93.2 | Very high | 116 Ų | 116 | 34.9 Ų | 34.9 | 57% | 0.571 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 140.3 | -179.2 | -65.2 | 179 | 71.3 | 0 | 0 | 110.4 | K42 F43 | K42-M46 CarbonylContact C-O 3.55Å; K42-M46 WeakPolarHBondContact CA-O 3.49Å; F43-M46 HydrophobicContact CB-CB 4.44Å; F43-M46 PolarHBondContact N-O 2.71Å; F43-M46 PolarHBondContact O-N 2.63Å; F43-M46 VanDerWaalsContact O-N 3.12Å |
| 47 | A | 87.9 | Confident | 92.8 | Very high | 82 Ų | 82 | 35.7 Ų | 35.7 | 68% | 0.678 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.1 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | S41 | S41-A47 WeakPolarHBondContact O-CA 3.27Å |
| 48 | Q | 90.4 | Very high | 92.1 | Very high | 65 Ų | 65 | 41.5 Ų | 41.5 | 30% | 0.304 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.5 | 174.4 | 179.4 | 168.5 | -94.2 | 0 | 0 | 109.6 | S41 F43 H71 C72 | S41-Q48 PolarHBondContact N-O 2.84Å; S41-Q48 PolarHBondContact O-N 3.23Å; F43-Q48 HydrophobicContact CE2-CB 4.03Å; Q48-H71 PolarHBondContact NE2-O 3.46Å; Q48-H71 VanDerWaalsContact NE2-O 3.1Å; Q48-C72 PolarHBondContact NE2-O 2.79Å |
| 49 | T | 94.4 | Very high | 91 | Very high | 52 Ų | 52 | 47.4 Ų | 47.4 | 32% | 0.319 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 140.6 | 175.8 | 60.2 | 0 | 0 | 0 | 0 | 108.9 | Y38 I39 G215 | Y38-T49 HydrophobicContact CE1-CG2 4.49Å; Y38-T49 HydrophobicContact CE2-CG2 4.25Å; Y38-T49 WeakPolarHBondContact OH-CG2 3.08Å; I39-T49 CarbonylContact O-C 3.58Å; I39-T49 WeakPolarHBondContact O-CA 3.13Å; T49-G215 WeakPolarHBondContact O-CA 3.34Å |
| 50 | C | 96.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 165.3 | 177.7 | -89 | 0 | 0 | 0 | 0 | 110.6 | I39 C72 G215 S217 | I39-C50 HydrophobicContact CB-CB 4.24Å; I39-C50 PolarHBondContact N-O 2.87Å; I39-C50 PolarHBondContact O-N 3.06Å; C50-C72 HydrophobicContact CB-CB 3.65Å; C50-C72 WeakPolarHBondContact CB-SG 3.45Å; C50-C72 VanDerWaalsContact SG-CA 3.52Å; C50-C72 WeakPolarHBondContact SG-CB 3.3Å; C50-C72 CovalentContact SG-SG 2.03Å; C50-C72 PolarHBondContact SG-SG 3.09Å; C50-G215 CarbonylContact C-O 3.57Å; C50-G215 WeakPolarHBondContact CA-O 3.33Å; C50-S217 WeakPolarHBondContact CB-O 3.29Å |
| 51 | G | 98 | Very high | 90.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 171.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V37 I39 T68 G215 S217 G218 S219 | V37-G51 WeakPolarHBondContact O-CA 3.28Å; I39-G51 WeakPolarHBondContact CD1-O 3.17Å; G51-T68 PolarHBondContact O-OG1 3.07Å; G51-G215 PolarHBondContact N-O 3.05Å; G51-S217 PolarHBondContact N-O 3.23Å; G51-G218 CarbonylContact O-C 3.56Å; G51-S219 WeakPolarHBondContact CA-OG 3.2Å |
| 52 | G | 98.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | -175.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q36 V37 L67 G218 | Q36-G52 PolarHBondContact NE2-O 3.49Å; V37-G52 VanDerWaalsContact CG2-C 3.44Å; V37-G52 PolarHBondContact N-O 3.11Å; V37-G52 PolarHBondContact O-N 2.96Å; V37-G52 VanDerWaalsContact O-N 3.1Å; G52-L67 CarbonylContact C-O 3.52Å; G52-L67 WeakPolarHBondContact CA-O 3.36Å; G52-G218 WeakPolarHBondContact CA-O 3.28Å |
| 53 | S | 98.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 132 | 174.5 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | W35 L55 I66 L67 P220 | W35-S53 CarbonylContact O-C 3.4Å; W35-S53 VanDerWaalsContact O-CA 3.27Å; W35-S53 WeakPolarHBondContact O-CA 3.23Å; S53-L55 PolarHBondContact O-N 3.03Å; S53-I66 CarbonylContact O-C 3.43Å; S53-I66 WeakPolarHBondContact O-CA 3.36Å; S53-L67 PolarHBondContact N-O 3.44Å; S53-L67 PolarHBondContact O-N 3.01Å; S53-P220 VanDerWaalsContact OG-CB 3.25Å; S53-P220 WeakPolarHBondContact OG-CB 3.1Å; S53-P220 WeakPolarHBondContact OG-CD 2.9Å; S53-P220 VanDerWaalsContact OG-CG 3.24Å; S53-P220 WeakPolarHBondContact OG-CG 3.25Å |
| 54 | L | 98.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 114.4 | 161.3 | -175.5 | 65.2 | 0 | 0 | 0 | 108 | W35 V37 I66 L94 Y139 I143 G145 I146 | W35-L54 PolarHBondContact O-N 2.94Å; V37-L54 HydrophobicContact CG1-CB 4.42Å; L54-I66 HydrophobicContact CB-CD1 4.16Å; L54-I66 HydrophobicContact CD1-CD1 3.8Å; L54-L94 HydrophobicContact CB-CD2 4.32Å; L54-L94 HydrophobicContact CD1-CD2 4.07Å; L54-L94 HydrophobicContact CD2-CD2 4.02Å; L54-L94 HydrophobicContact CG-CD2 4.38Å; L54-Y139 HydrophobicContact CD2-CD1 4.35Å; L54-Y139 HydrophobicContact CD2-CE1 3.84Å; L54-I143 HydrophobicContact CD2-CG2 3.61Å; L54-G145 CarbonylContact O-C 3.54Å; L54-G145 WeakPolarHBondContact O-CA 3.48Å; L54-I146 PolarHBondContact O-N 3.5Å |
| 55 | L | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 136.2 | 176.5 | -70.2 | -173.1 | 0 | 0 | 0 | 110.2 | S53 S63 I65 L67 I146 L148 I231 I266 | S53-L55 PolarHBondContact O-N 3.03Å; L55-S63 WeakPolarHBondContact O-CB 3.39Å; L55-S63 PolarHBondContact O-OG 2.83Å; L55-I65 HydrophobicContact CB-CB 4.47Å; L55-I65 HydrophobicContact CB-CG2 4.17Å; L55-I65 HydrophobicContact CD1-CG2 4.07Å; L55-I65 HydrophobicContact CG-CG2 4.46Å; L55-I65 PolarHBondContact N-O 3.47Å; L55-L67 HydrophobicContact CD1-CB 3.71Å; L55-L67 HydrophobicContact CD1-CD1 4.43Å; L55-L67 HydrophobicContact CD1-CD2 4.09Å; L55-L67 HydrophobicContact CD1-CG 4.29Å; L55-L67 HydrophobicContact CD2-CB 3.91Å; L55-L67 HydrophobicContact CD2-CD2 4.09Å; L55-L67 HydrophobicContact CG-CB 3.67Å; L55-L67 HydrophobicContact CG-CD2 4.48Å; L55-I146 HydrophobicContact CD2-CG2 3.96Å; L55-L148 HydrophobicContact CD1-CD2 4.11Å; L55-L148 HydrophobicContact CD2-CD2 4.05Å; L55-I231 HydrophobicContact CD2-CD1 4.37Å; L55-I231 HydrophobicContact CD2-CG2 3.9Å; L55-I266 HydrophobicContact CD1-CD1 4.28Å |
| 56 | H | 96.1 | Very high | 92.9 | Very high | 23 Ų | 23 | 42 Ų | 42 | 11% | 0.106 | 22% | 0.22 | C | C | . | . | trans | -77.6 | 131.8 | 161.4 | -174.2 | 59.5 | 0 | 0 | 0 | 110.3 | C3 K58 E60 Y139 I146 | C3-H56 HydrophobicContact CB-CB 3.36Å; C3-H56 WeakPolarHBondContact CB-CD2 3.19Å; C3-H56 VanDerWaalsContact SG-CD2 3.59Å; H56-K58 PolarHBondContact CE1-O 2.98Å; H56-K58 PolarHBondContact NE2-O 3.11Å; H56-E60 PolarHBondContact CE1-O 3.03Å; H56-Y139 VanDerWaalsContact CA-OH 3.29Å; H56-Y139 WeakPolarHBondContact CA-OH 3.38Å; H56-Y139 AromaticContact ND1-CE2 3.4Å; H56-Y139 WeakPolarHBondContact ND1-CE2 3.43Å; H56-Y139 AromaticContact ND1-CZ 3.63Å; H56-Y139 PolarHBondContact ND1-OH 3.42Å; H56-I146 WeakPolarHBondContact CB-O 3.46Å; H56-I146 PolarHBondContact N-O 2.83Å | ||
| 57 | W | 89.9 | Confident | 93.6 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | trans | -135.1 | 122.8 | -178.3 | -173.5 | -105.3 | 0 | 0 | 0 | 110.1 | L148 E263 I266 E267 | W57-L148 HydrophobicContact CE3-CD1 3.63Å; W57-L148 HydrophobicContact CZ3-CD1 3.56Å; W57-E263 VanDerWaalsContact CH2-CA 3.43Å; W57-E263 HydrophobicContact CH2-CB 3.64Å; W57-E263 HydrophobicContact CH2-CG 3.57Å; W57-E263 HydrophobicContact CZ2-CB 4.46Å; W57-E263 HydrophobicContact CZ3-CB 4.42Å; W57-E263 HydrophobicContact CZ3-CG 3.98Å; W57-I266 HydrophobicContact CD2-CB 4.22Å; W57-I266 HydrophobicContact CD2-CD1 4.07Å; W57-I266 HydrophobicContact CD2-CG2 3.56Å; W57-I266 VanDerWaalsContact CE2-CG2 3.46Å; W57-I266 HydrophobicContact CE3-CD1 3.65Å; W57-I266 HydrophobicContact CE3-CG2 4.26Å; W57-I266 HydrophobicContact CG-CG2 3.66Å; W57-I266 HydrophobicContact CZ2-CB 4.22Å; W57-I266 HydrophobicContact CZ2-CG2 4.15Å; W57-I266 HydrophobicContact CZ3-CD1 3.95Å; W57-E267 HydrophobicContact CZ2-CG 4.04Å | ||
| 58 | K | 84.4 | Confident | 94.1 | Very high | 122 Ų | 122 | 32.5 Ų | 32.5 | 53% | 0.53 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | -165.5 | -173.5 | -61.6 | -178.3 | 178.4 | -178.6 | 0 | 111.3 | H56 E60 E267 | H56-K58 PolarHBondContact CE1-O 2.98Å; H56-K58 PolarHBondContact NE2-O 3.11Å; K58-E60 PolarHBondContact O-N 3.09Å; K58-E267 IonicContact NZ-OE1 2.97Å; K58-E267 PolarHBondContact NZ-OE1 3.23Å |
| 59 | E | 75 | Confident | 94.4 | Very high | 171 Ų | 171 | 29.4 Ų | 29.4 | 80% | 0.799 | 15% | 0.146 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | 20.6 | -170.9 | -61.1 | -167 | 169 | 0 | 0 | 115.2 | A1 | A1-E59 VanDerWaalsContact CB-O 3.3Å; A1-E59 WeakPolarHBondContact CB-O 3.48Å; A1-E59 PolarHBondContact N-O 3.09Å; A1-E59 VanDerWaalsContact N-O 3.09Å |
| 60 | E | 82.6 | Confident | 94.4 | Very high | 81 Ų | 81 | 27 Ų | 27 | 38% | 0.379 | 13% | 0.131 | S | C | . | . | trans | -76.2 | 138.9 | -172.8 | -64 | -176.6 | -162.9 | 0 | 0 | 113.2 | A1 H56 K58 A62 | A1-E60 VanDerWaalsContact CB-C 3.43Å; A1-E60 WeakPolarHBondContact CB-O 3.44Å; H56-E60 PolarHBondContact CE1-O 3.03Å; K58-E60 PolarHBondContact O-N 3.09Å; E60-A62 WeakPolarHBondContact CB-O 3.37Å; E60-A62 PolarHBondContact O-N 3.15Å; E60-A62 VanDerWaalsContact O-N 3.16Å | ||
| 61 | N | 92.7 | Very high | 94.3 | Very high | 115 Ų | 115 | 28.3 Ų | 28.3 | 62% | 0.615 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -80.4 | 21.1 | 171.2 | -74.7 | -26.5 | 0 | 0 | 0 | 112.4 | A1 Y139 | A1-N61 VanDerWaalsContact CA-OD1 3.23Å; A1-N61 WeakPolarHBondContact CA-OD1 3.06Å; A1-N61 WeakPolarHBondContact CB-OD1 3.42Å; N61-Y139 WeakPolarHBondContact O-CB 3.26Å; N61-Y139 PolarHBondContact O-N 2.81Å |
| 62 | A | 95.2 | Very high | 94.1 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 16% | 0.157 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 161.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | E60 Q136 V137 | E60-A62 WeakPolarHBondContact CB-O 3.37Å; E60-A62 PolarHBondContact O-N 3.15Å; E60-A62 VanDerWaalsContact O-N 3.16Å; A62-Q136 HydrophobicContact CB-CB 4.2Å; A62-V137 WeakPolarHBondContact CA-O 3.42Å; A62-V137 WeakPolarHBondContact CB-O 3.46Å |
| 63 | S | 96.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 152.2 | 167.2 | 175.9 | 0 | 0 | 0 | 0 | 110.5 | L55 I65 V137 | L55-S63 WeakPolarHBondContact O-CB 3.39Å; L55-S63 PolarHBondContact O-OG 2.83Å; S63-I65 PolarHBondContact OG-N 2.81Å; S63-I65 VanDerWaalsContact OG-N 3.09Å; S63-V137 PolarHBondContact N-O 2.95Å; S63-V137 WeakPolarHBondContact O-CB 3.49Å; S63-V137 PolarHBondContact O-N 3.36Å |
| 64 | N | 96.9 | Very high | 93.2 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.043 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 14.9 | 171 | 60.4 | -4.1 | 0 | 0 | 0 | 111.7 | K132 L133 R135 Q136 Q270 | N64-K132 CarbonylContact O-C 3.27Å; N64-K132 WeakPolarHBondContact O-CA 3.48Å; N64-L133 HydrophobicContact CB-CB 4.06Å; N64-L133 PolarHBondContact O-N 2.85Å; N64-R135 WeakPolarHBondContact CB-O 3.47Å; N64-Q136 VanDerWaalsContact N-OE1 3.17Å; N64-Q270 PolarHBondContact OD1-NE2 2.73Å |
| 65 | I | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.9 | -172.5 | -58.8 | -56 | 0 | 0 | 0 | 109.9 | L55 S63 I130 K132 I266 L269 | L55-I65 HydrophobicContact CB-CB 4.47Å; L55-I65 HydrophobicContact CB-CG2 4.17Å; L55-I65 HydrophobicContact CD1-CG2 4.07Å; L55-I65 HydrophobicContact CG-CG2 4.46Å; L55-I65 PolarHBondContact N-O 3.47Å; S63-I65 PolarHBondContact OG-N 2.81Å; S63-I65 VanDerWaalsContact OG-N 3.09Å; I65-I130 HydrophobicContact CG2-CG2 3.73Å; I65-K132 HydrophobicContact CD1-CB 4.45Å; I65-K132 HydrophobicContact CD1-CG 4.23Å; I65-I266 HydrophobicContact CD1-CG2 4.29Å; I65-I266 HydrophobicContact CG1-CG2 4.02Å; I65-I266 HydrophobicContact CG2-CD1 3.96Å; I65-I266 HydrophobicContact CG2-CG1 4.02Å; I65-L269 HydrophobicContact CD1-CD1 4.35Å |
| 66 | I | 98.7 | Very high | 91 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 132.1 | 172 | -53 | -55.9 | 0 | 0 | 0 | 109.3 | V37 I39 S53 L54 V92 L94 I130 L131 L133 | V37-I66 HydrophobicContact CG1-CD1 3.93Å; V37-I66 HydrophobicContact CG2-CD1 4.22Å; V37-I66 HydrophobicContact CG2-CG2 3.62Å; I39-I66 HydrophobicContact CD1-CG2 4.05Å; S53-I66 CarbonylContact O-C 3.43Å; S53-I66 WeakPolarHBondContact O-CA 3.36Å; L54-I66 HydrophobicContact CB-CD1 4.16Å; L54-I66 HydrophobicContact CD1-CD1 3.8Å; I66-V92 HydrophobicContact CD1-CG1 4.19Å; I66-V92 HydrophobicContact CG1-CG1 4.1Å; I66-V92 HydrophobicContact CG1-CG2 4.45Å; I66-L94 HydrophobicContact CD1-CD2 4.22Å; I66-I130 CarbonylContact O-C 3.47Å; I66-I130 WeakPolarHBondContact O-CA 3.47Å; I66-L131 HydrophobicContact CB-CB 4.08Å; I66-L131 HydrophobicContact CG2-CD1 4.39Å; I66-L131 PolarHBondContact N-O 2.95Å; I66-L131 PolarHBondContact O-N 3.07Å; I66-L133 HydrophobicContact CD1-CD1 4.19Å; I66-L133 HydrophobicContact CD1-CG 4.49Å; I66-L133 HydrophobicContact CG1-CD1 4.28Å; I66-L133 HydrophobicContact CG1-CD2 3.85Å; I66-L133 HydrophobicContact CG1-CG 4.05Å |
| 67 | L | 98.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.8 | 168.4 | -168.4 | 63.8 | 0 | 0 | 0 | 110.2 | G52 S53 L55 I128 I130 I231 L234 V255 L262 | G52-L67 CarbonylContact C-O 3.52Å; G52-L67 WeakPolarHBondContact CA-O 3.36Å; S53-L67 PolarHBondContact N-O 3.44Å; S53-L67 PolarHBondContact O-N 3.01Å; L55-L67 HydrophobicContact CD1-CB 3.71Å; L55-L67 HydrophobicContact CD1-CD1 4.43Å; L55-L67 HydrophobicContact CD1-CD2 4.09Å; L55-L67 HydrophobicContact CD1-CG 4.29Å; L55-L67 HydrophobicContact CD2-CB 3.91Å; L55-L67 HydrophobicContact CD2-CD2 4.09Å; L55-L67 HydrophobicContact CG-CB 3.67Å; L55-L67 HydrophobicContact CG-CD2 4.48Å; L67-I128 HydrophobicContact CD1-CD1 3.97Å; L67-I128 HydrophobicContact CD1-CG1 3.75Å; L67-I130 HydrophobicContact CD1-CG1 4.37Å; L67-I231 HydrophobicContact CD2-CD1 4.13Å; L67-L234 HydrophobicContact CD1-CD1 4.33Å; L67-L234 HydrophobicContact CD2-CD1 4.06Å; L67-L234 HydrophobicContact CD2-CD2 3.9Å; L67-L234 HydrophobicContact CD2-CG 4.36Å; L67-L234 HydrophobicContact CG-CD1 3.82Å; L67-L234 HydrophobicContact CG-CD2 3.92Å; L67-L234 HydrophobicContact CG-CG 4.44Å; L67-V255 HydrophobicContact CD2-CG1 4.36Å; L67-V255 HydrophobicContact CD2-CG2 3.99Å; L67-L262 HydrophobicContact CD1-CD2 3.52Å; L67-L262 HydrophobicContact CD2-CD1 4.34Å |
| 68 | T | 98.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | -177.8 | 178.4 | -171 | 0 | 0 | 0 | 0 | 110.4 | I39 G51 A129 L131 L234 | I39-T68 HydrophobicContact CD1-CG2 3.89Å; G51-T68 PolarHBondContact O-OG1 3.07Å; T68-A129 HydrophobicContact CG2-CB 4.17Å; T68-A129 PolarHBondContact N-O 3.06Å; T68-A129 PolarHBondContact O-N 3.15Å; T68-L131 HydrophobicContact CG2-CD1 4.11Å; T68-L131 HydrophobicContact CG2-CG 4.16Å; T68-L234 WeakPolarHBondContact O-CD1 3.38Å |
| 69 | A | 96.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -82.5 | 147.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H71 C72 D127 | A69-H71 VanDerWaalsContact C-N 3.34Å; A69-H71 PolarHBondContact O-N 3Å; A69-C72 VanDerWaalsContact O-CB 3.26Å; A69-C72 WeakPolarHBondContact O-CB 3.39Å; A69-C72 PolarHBondContact O-N 2.97Å; A69-C72 VanDerWaalsContact O-N 3.16Å; A69-D127 VanDerWaalsContact CA-O 3.25Å; A69-D127 WeakPolarHBondContact CA-O 3.47Å | ||
| 70 | A | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -64.9 | -38.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | C72 I73 I74 L116 F119 D127 A129 | A70-C72 PolarHBondContact O-N 3.09Å; A70-C72 VanDerWaalsContact O-N 3.08Å; A70-I73 PolarHBondContact O-N 3.33Å; A70-I74 HydrophobicContact CB-CD1 4.42Å; A70-I74 PolarHBondContact O-N 3.29Å; A70-I74 VanDerWaalsContact O-N 3.08Å; A70-L116 HydrophobicContact CB-CD2 4.3Å; A70-F119 HydrophobicContact CB-CB 3.79Å; A70-F119 HydrophobicContact CB-CD1 4.26Å; A70-F119 HydrophobicContact CB-CD2 3.7Å; A70-F119 HydrophobicContact CB-CE2 4.3Å; A70-F119 HydrophobicContact CB-CG 3.65Å; A70-D127 PolarHBondContact N-O 3.01Å; A70-D127 PolarHBondContact N-OD1 3.25Å; A70-A129 HydrophobicContact CB-CB 4.5Å |
| 71 | H | 93 | Very high | 87.7 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -67.2 | -7.5 | 177.3 | 79.1 | -95.3 | 0 | 0 | 0 | 113.9 | Q48 A69 F119 D127 S217 S236 | Q48-H71 PolarHBondContact NE2-O 3.46Å; Q48-H71 VanDerWaalsContact NE2-O 3.1Å; A69-H71 VanDerWaalsContact C-N 3.34Å; A69-H71 PolarHBondContact O-N 3Å; H71-F119 HydrophobicContact CB-CE1 4.4Å; H71-F119 HydrophobicContact CB-CE2 4.43Å; H71-F119 HydrophobicContact CB-CZ 3.8Å; H71-D127 IonicContact CE1-OD2 2.71Å; H71-D127 PolarHBondContact CE1-OD2 2.9Å; H71-D127 IonicContact CG-OD1 3.96Å; H71-D127 IonicContact CG-OD2 3.84Å; H71-D127 PolarHBondContact N-OD1 2.71Å; H71-D127 VanDerWaalsContact ND1-CG 3.25Å; H71-D127 IonicContact ND1-OD1 2.83Å; H71-D127 PolarHBondContact ND1-OD1 2.99Å; H71-D127 IonicContact ND1-OD2 2.72Å; H71-D127 PolarHBondContact ND1-OD2 2.84Å; H71-S217 PolarHBondContact CE1-OG 2.76Å; H71-S217 WeakPolarHBondContact NE2-CB 3.46Å; H71-S217 PolarHBondContact NE2-OG 2.92Å; H71-S236 PolarHBondContact CE1-O 3.18Å; H71-S236 VanDerWaalsContact CE1-O 3.27Å |
| 72 | C | 94.2 | Very high | 87 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -71.6 | -23.3 | 169.4 | -70.6 | 0 | 0 | 0 | 0 | 112.8 | S41 Q48 C50 A69 A70 S217 | S41-C72 PolarHBondContact OG-O 3.48Å; Q48-C72 PolarHBondContact NE2-O 2.79Å; C50-C72 HydrophobicContact CB-CB 3.65Å; C50-C72 WeakPolarHBondContact CB-SG 3.45Å; C50-C72 VanDerWaalsContact SG-CA 3.52Å; C50-C72 WeakPolarHBondContact SG-CB 3.3Å; C50-C72 CovalentContact SG-SG 2.03Å; C50-C72 PolarHBondContact SG-SG 3.09Å; A69-C72 VanDerWaalsContact O-CB 3.26Å; A69-C72 WeakPolarHBondContact O-CB 3.39Å; A69-C72 PolarHBondContact O-N 2.97Å; A69-C72 VanDerWaalsContact O-N 3.16Å; A70-C72 PolarHBondContact O-N 3.09Å; A70-C72 VanDerWaalsContact O-N 3.08Å; C72-S217 PolarHBondContact SG-O 2.84Å |
| 73 | I | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | -13.6 | -171.3 | -48.5 | -54.5 | 0 | 0 | 0 | 112.2 | F43 A70 M84 A85 I90 I114 L116 L131 | F43-I73 VanDerWaalsContact CE1-O 3.23Å; F43-I73 WeakPolarHBondContact CE1-O 3.42Å; A70-I73 PolarHBondContact O-N 3.33Å; I73-M84 HydrophobicContact CG2-CE 4.19Å; I73-M84 HydrophobicContact CG2-CG 4.3Å; I73-M84 WeakPolarHBondContact O-CA 3.49Å; I73-A85 HydrophobicContact CG2-CB 4.36Å; I73-A85 PolarHBondContact O-N 2.79Å; I73-I90 HydrophobicContact CD1-CD1 3.77Å; I73-I90 HydrophobicContact CD1-CG1 4.4Å; I73-I90 HydrophobicContact CG2-CD1 3.92Å; I73-I114 HydrophobicContact CG2-CD1 3.89Å; I73-I114 HydrophobicContact CG2-CG2 3.98Å; I73-L116 HydrophobicContact CB-CD2 4.41Å; I73-L131 HydrophobicContact CD1-CD1 4.26Å; I73-L131 HydrophobicContact CD1-CD2 3.94Å; I73-L131 HydrophobicContact CG1-CD2 4Å |
| 74 | I | 87.3 | Confident | 85.9 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.8 | 177.2 | -53.2 | 170.2 | 0 | 0 | 0 | 108 | A70 V76 I82 K83 L116 F119 | A70-I74 HydrophobicContact CB-CD1 4.42Å; A70-I74 PolarHBondContact O-N 3.29Å; A70-I74 VanDerWaalsContact O-N 3.08Å; I74-V76 HydrophobicContact CG2-CG2 3.52Å; I74-I82 HydrophobicContact CG2-CG2 3.63Å; I74-K83 CarbonylContact C-O 3.5Å; I74-K83 WeakPolarHBondContact CA-O 3.39Å; I74-L116 HydrophobicContact CD1-CD1 3.62Å; I74-L116 HydrophobicContact CD1-CD2 3.96Å; I74-L116 HydrophobicContact CD1-CG 4.31Å; I74-L116 HydrophobicContact CG1-CD1 3.94Å; I74-L116 HydrophobicContact CG1-CD2 4.15Å; I74-F119 HydrophobicContact CD1-CB 4.21Å; I74-F119 HydrophobicContact CD1-CD1 3.62Å; I74-F119 HydrophobicContact CD1-CE1 4.4Å; I74-F119 HydrophobicContact CD1-CG 4.24Å |
| 75 | D | 79.4 | Confident | 85.5 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 24% | 0.235 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 112.9 | 163.7 | -177.1 | 24.5 | 0 | 0 | 0 | 108 | F43 K83 | F43-D75 HydrophobicContact CD1-CB 3.72Å; F43-D75 HydrophobicContact CD2-CB 4.35Å; F43-D75 HydrophobicContact CE1-CB 3.75Å; F43-D75 VanDerWaalsContact CE1-N 3.32Å; F43-D75 HydrophobicContact CE2-CB 4.38Å; F43-D75 HydrophobicContact CG-CB 4.02Å; F43-D75 HydrophobicContact CZ-CB 4.09Å; D75-K83 HydrophobicContact CB-CB 4.43Å; D75-K83 PolarHBondContact N-O 3.4Å; D75-K83 WeakPolarHBondContact O-CA 3.45Å; D75-K83 PolarHBondContact O-N 3.09Å; D75-K83 VanDerWaalsContact O-O 3.04Å |
| 76 | V | 70.5 | Confident | 85.2 | Confident | 21 Ų | 21 | 52.9 Ų | 52.9 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.1 | 174.3 | -179.2 | 0 | 0 | 0 | 0 | 106.4 | I74 I82 K121 | I74-V76 HydrophobicContact CG2-CG2 3.52Å; V76-I82 HydrophobicContact CG1-CG1 4.09Å; V76-I82 HydrophobicContact CG2-CG1 4.05Å; V76-I82 HydrophobicContact CG2-CG2 4.25Å; V76-K121 HydrophobicContact CB-CB 4.04Å; V76-K121 HydrophobicContact CB-CD 3.5Å; V76-K121 HydrophobicContact CB-CG 3.74Å; V76-K121 HydrophobicContact CG1-CB 4.21Å; V76-K121 HydrophobicContact CG1-CD 3.65Å; V76-K121 HydrophobicContact CG1-CG 4.21Å; V76-K121 HydrophobicContact CG2-CB 3.89Å; V76-K121 HydrophobicContact CG2-CD 4.29Å; V76-K121 HydrophobicContact CG2-CG 3.98Å; V76-K121 WeakPolarHBondContact O-CE 3.16Å; V76-K121 PolarHBondContact O-NZ 2.71Å |
| 77 | D | 71.3 | Confident | 85 | Confident | 58 Ų | 58 | 54 Ų | 54 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 139.6 | 172.8 | -175.7 | -85 | 0 | 0 | 0 | 108.9 | Y79 Y80 G81 | D77-Y79 PolarHBondContact O-N 2.91Å; D77-Y79 WeakPolarHBondContact OD1-CA 3.21Å; D77-Y79 WeakPolarHBondContact OD1-CB 3.14Å; D77-Y79 PolarHBondContact OD1-N 2.79Å; D77-Y80 HydrophobicContact CB-CD2 4.36Å; D77-Y80 VanDerWaalsContact OD1-CD2 3.25Å; D77-Y80 WeakPolarHBondContact OD1-CD2 3.43Å; D77-Y80 PolarHBondContact OD1-N 2.88Å; D77-G81 PolarHBondContact N-O 3.08Å; D77-G81 WeakPolarHBondContact O-CA 3.25Å; D77-G81 PolarHBondContact O-N 2.87Å |
| 78 | E | 65.4 | Low | 84.8 | Confident | 150 Ų | 150 | 59.1 Ų | 59.1 | 70% | 0.701 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -29.1 | -177.8 | -65.3 | -166.4 | 150 | 0 | 0 | 112.5 | Y122 | E78-Y122 WeakPolarHBondContact OE1-CE1 3.31Å; E78-Y122 PolarHBondContact OE1-OH 3.38Å; E78-Y122 VanDerWaalsContact OE1-OH 3.04Å |
| 79 | Y | 72.8 | Confident | 84.6 | Confident | 197 Ų | 197 | 61.9 Ų | 61.9 | 77% | 0.773 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -40.5 | -177.3 | -168.7 | -98.4 | 0 | 0 | 0 | 112.1 | D77 | D77-Y79 PolarHBondContact O-N 2.91Å; D77-Y79 WeakPolarHBondContact OD1-CA 3.21Å; D77-Y79 WeakPolarHBondContact OD1-CB 3.14Å; D77-Y79 PolarHBondContact OD1-N 2.79Å |
| 80 | Y | 71.1 | Confident | 84.7 | Confident | 155 Ų | 155 | 62 Ų | 62 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -1 | -175.4 | -60.1 | -72.9 | 0 | 0 | 0 | 114.9 | D77 | D77-Y80 HydrophobicContact CB-CD2 4.36Å; D77-Y80 VanDerWaalsContact OD1-CD2 3.25Å; D77-Y80 WeakPolarHBondContact OD1-CD2 3.43Å; D77-Y80 PolarHBondContact OD1-N 2.88Å |
| 81 | G | 78.4 | Confident | 84.8 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 35% | 0.351 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 80.9 | -158.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D77 | D77-G81 PolarHBondContact N-O 3.08Å; D77-G81 WeakPolarHBondContact O-CA 3.25Å; D77-G81 PolarHBondContact O-N 2.87Å |
| 82 | I | 77 | Confident | 85 | Confident | 131 Ų | 131 | 62.7 Ų | 62.7 | 67% | 0.672 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 119.2 | -178.7 | -58.2 | 175.8 | 0 | 0 | 0 | 109.4 | I74 V76 | I74-I82 HydrophobicContact CG2-CG2 3.63Å; V76-I82 HydrophobicContact CG1-CG1 4.09Å; V76-I82 HydrophobicContact CG2-CG1 4.05Å; V76-I82 HydrophobicContact CG2-CG2 4.25Å |
| 83 | K | 82.8 | Confident | 85.2 | Confident | 91 Ų | 91 | 65.4 Ų | 65.4 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 125.8 | 168.6 | -66.7 | 178.6 | -176.7 | 170.9 | 0 | 109.2 | F43 I74 D75 | F43-K83 HydrophobicContact CD1-CB 4.37Å; I74-K83 CarbonylContact C-O 3.5Å; I74-K83 WeakPolarHBondContact CA-O 3.39Å; D75-K83 HydrophobicContact CB-CB 4.43Å; D75-K83 PolarHBondContact N-O 3.4Å; D75-K83 WeakPolarHBondContact O-CA 3.45Å; D75-K83 PolarHBondContact O-N 3.09Å; D75-K83 VanDerWaalsContact O-O 3.04Å |
| 84 | M | 85 | Confident | 85.5 | Confident | 83 Ų | 83 | 65.5 Ų | 65.5 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134 | 172.3 | -175 | 176.8 | 172.2 | 0 | 0 | 108.5 | I73 I114 L116 | I73-M84 HydrophobicContact CG2-CE 4.19Å; I73-M84 HydrophobicContact CG2-CG 4.3Å; I73-M84 WeakPolarHBondContact O-CA 3.49Å; M84-I114 HydrophobicContact CE-CB 3.81Å; M84-I114 HydrophobicContact CE-CD1 3.76Å; M84-I114 HydrophobicContact CE-CG1 4.42Å; M84-I114 HydrophobicContact CE-CG2 3.49Å; M84-I114 VanDerWaalsContact CE-CG2 3.49Å; M84-L116 HydrophobicContact CE-CD1 3.5Å; M84-L116 HydrophobicContact CE-CG 4.04Å; M84-L116 HydrophobicContact SD-CD1 3.59Å; M84-L116 VanDerWaalsContact SD-CD1 3.59Å |
| 85 | A | 88.6 | Confident | 86 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | trans | -65.6 | 133.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | K42 F43 I73 I90 I114 | K42-A85 WeakPolarHBondContact O-CB 3.26Å; F43-A85 HydrophobicContact CD1-CB 4.13Å; F43-A85 HydrophobicContact CE1-CB 3.84Å; F43-A85 HydrophobicContact CZ-CB 4.18Å; I73-A85 HydrophobicContact CG2-CB 4.36Å; I73-A85 PolarHBondContact O-N 2.79Å; A85-I90 HydrophobicContact CB-CD1 4.2Å; A85-I90 HydrophobicContact CB-CG1 4Å; A85-I114 WeakPolarHBondContact O-CD1 3.39Å | ||
| 86 | N | 92.3 | Very high | 86.9 | Confident | 96 Ų | 96 | 63 Ų | 63 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | trans | -69.4 | 153.6 | 171.3 | -66.1 | -67.7 | 0 | 0 | 0 | 110 | S88 E89 | N86-S88 PolarHBondContact O-N 3.08Å; N86-E89 HydrophobicContact CB-CB 4.49Å; N86-E89 HydrophobicContact CB-CG 4.17Å; N86-E89 WeakPolarHBondContact CB-OE2 3.44Å; N86-E89 PolarHBondContact N-OE2 3.38Å; N86-E89 PolarHBondContact ND2-OE2 2.85Å; N86-E89 WeakPolarHBondContact O-CA 3.14Å; N86-E89 WeakPolarHBondContact O-CB 3.32Å; N86-E89 PolarHBondContact O-N 2.85Å | ||
| 87 | A | 94.8 | Very high | 88.1 | Confident | 24 Ų | 24 | 63 Ų | 63 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -55.7 | -37.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E89 I90 V111 I114 | A87-E89 PolarHBondContact O-N 2.72Å; A87-I90 PolarHBondContact O-N 2.94Å; A87-V111 CarbonylContact C-O 3.58Å; A87-V111 HydrophobicContact CB-CB 4.38Å; A87-V111 HydrophobicContact CB-CG1 4.06Å; A87-V111 WeakPolarHBondContact CB-O 3.47Å; A87-I114 HydrophobicContact CB-CD1 4.12Å; A87-I114 HydrophobicContact CB-CG1 4.27Å |
| 88 | S | 94.9 | Very high | 89.2 | Confident | 107 Ų | 107 | 61 Ų | 61 | 75% | 0.748 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -68 | -14.6 | 175.3 | 57 | 0 | 0 | 0 | 0 | 114.8 | N86 | N86-S88 PolarHBondContact O-N 3.08Š|
| 89 | E | 94.2 | Very high | 90.5 | Very high | 59 Ų | 59 | 55.5 Ų | 55.5 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -98.1 | 4.8 | 178.8 | -67.5 | 176.8 | 129.6 | 0 | 0 | 112.4 | K42 N86 A87 | K42-E89 HydrophobicContact CB-CB 4.22Å; K42-E89 PolarHBondContact N-O 3.02Å; N86-E89 HydrophobicContact CB-CB 4.49Å; N86-E89 HydrophobicContact CB-CG 4.17Å; N86-E89 WeakPolarHBondContact CB-OE2 3.44Å; N86-E89 PolarHBondContact N-OE2 3.38Å; N86-E89 PolarHBondContact ND2-OE2 2.85Å; N86-E89 WeakPolarHBondContact O-CA 3.14Å; N86-E89 WeakPolarHBondContact O-CB 3.32Å; N86-E89 PolarHBondContact O-N 2.85Å; A87-E89 PolarHBondContact O-N 2.72Å |
| 90 | I | 97.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.9 | -179.7 | -53.9 | 162.4 | 0 | 0 | 0 | 109.7 | I39 A40 I73 A85 A87 V111 I114 L131 | I39-I90 HydrophobicContact CG2-CG2 3.73Å; A40-I90 WeakPolarHBondContact O-CA 3.48Å; I73-I90 HydrophobicContact CD1-CD1 3.77Å; I73-I90 HydrophobicContact CD1-CG1 4.4Å; I73-I90 HydrophobicContact CG2-CD1 3.92Å; A85-I90 HydrophobicContact CB-CD1 4.2Å; A85-I90 HydrophobicContact CB-CG1 4Å; A87-I90 PolarHBondContact O-N 2.94Å; I90-V111 HydrophobicContact CB-CB 4.23Å; I90-V111 HydrophobicContact CB-CG2 3.85Å; I90-V111 HydrophobicContact CG2-CG2 3.65Å; I90-I114 HydrophobicContact CD1-CD1 3.49Å; I90-I114 VanDerWaalsContact CD1-CD1 3.49Å; I90-I114 HydrophobicContact CD1-CG1 4.01Å; I90-L131 HydrophobicContact CD1-CD2 4.37Å; I90-L131 HydrophobicContact CG2-CD1 4.17Å |
| 91 | T | 97.5 | Very high | 92.3 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 28% | 0.282 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.4 | 174.4 | -55.8 | 0 | 0 | 0 | 0 | 109.8 | A40 Y93 V108 | A40-T91 PolarHBondContact N-O 2.88Å; A40-T91 PolarHBondContact O-N 3.31Å; T91-Y93 HydrophobicContact CG2-CD2 4.16Å; T91-Y93 HydrophobicContact CG2-CE2 3.52Å; T91-V108 HydrophobicContact CG2-CG1 3.33Å |
| 92 | V | 98.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 131.3 | 178 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | V37 Y38 I39 I66 L94 V108 A109 V111 L131 L133 | V37-V92 HydrophobicContact CB-CG1 3.75Å; V37-V92 HydrophobicContact CG1-CG1 4.11Å; V37-V92 HydrophobicContact CG2-CG1 3.93Å; Y38-V92 WeakPolarHBondContact O-CA 3.4Å; I39-V92 HydrophobicContact CG1-CG2 4.45Å; I66-V92 HydrophobicContact CD1-CG1 4.19Å; I66-V92 HydrophobicContact CG1-CG1 4.1Å; I66-V92 HydrophobicContact CG1-CG2 4.45Å; V92-L94 HydrophobicContact CG1-CD1 4.04Å; V92-L94 HydrophobicContact CG1-CG 4.2Å; V92-V108 WeakPolarHBondContact O-CA 3.32Å; V92-A109 PolarHBondContact N-O 2.03Å; V92-A109 PolarHBondContact O-N 2.95Å; V92-V111 HydrophobicContact CG2-CG2 3.9Å; V92-L131 HydrophobicContact CG2-CD1 4.31Å; V92-L133 HydrophobicContact CB-CD2 3.86Å; V92-L133 HydrophobicContact CG1-CD2 4.31Å; V92-L133 HydrophobicContact CG2-CD2 3.79Å |
| 93 | Y | 98.5 | Very high | 93.5 | Very high | 57 Ų | 57 | 49.5 Ų | 49.5 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.2 | 177.3 | -58.9 | -108 | 0 | 0 | 0 | 109.1 | V37 Y38 A40 T91 L102 V106 Q107 V108 | V37-Y93 WeakPolarHBondContact CA-O 3.21Å; Y38-Y93 AromaticContact CD1-CD2 3.69Å; Y38-Y93 HydrophobicContact CD1-CD2 3.69Å; Y38-Y93 HydrophobicContact CD1-CE2 4.18Å; Y38-Y93 HydrophobicContact CD1-CG 4.32Å; Y38-Y93 HydrophobicContact CE1-CD2 4.38Å; Y38-Y93 HydrophobicContact CE1-CE2 4.44Å; Y38-Y93 PolarHBondContact N-O 2.95Å; Y38-Y93 PolarHBondContact O-N 3.2Å; A40-Y93 HydrophobicContact CB-CE2 4.26Å; T91-Y93 HydrophobicContact CG2-CD2 4.16Å; T91-Y93 HydrophobicContact CG2-CE2 3.52Å; Y93-L102 HydrophobicContact CD1-CD1 3.82Å; Y93-L102 HydrophobicContact CD1-CD2 4.25Å; Y93-L102 HydrophobicContact CE1-CD1 3.65Å; Y93-V106 HydrophobicContact CD1-CG1 4.45Å; Y93-Q107 WeakPolarHBondContact CA-O 3.3Å; Y93-V108 HydrophobicContact CD1-CB 4.49Å; Y93-V108 HydrophobicContact CD1-CG1 4.26Å; Y93-V108 HydrophobicContact CD1-CG2 3.67Å; Y93-V108 HydrophobicContact CE1-CG1 3.96Å; Y93-V108 HydrophobicContact CE1-CG2 3.76Å |
| 94 | L | 98.6 | Very high | 94 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 141.6 | -178.7 | -55.2 | 99.8 | 0 | 0 | 0 | 110.4 | V37 L54 I66 V92 A96 V106 Q107 A109 L133 V137 I143 | V37-L94 HydrophobicContact CG1-CB 4.39Å; V37-L94 HydrophobicContact CG1-CD2 3.76Å; V37-L94 HydrophobicContact CG1-CG 3.72Å; L54-L94 HydrophobicContact CB-CD2 4.32Å; L54-L94 HydrophobicContact CD1-CD2 4.07Å; L54-L94 HydrophobicContact CD2-CD2 4.02Å; L54-L94 HydrophobicContact CG-CD2 4.38Å; I66-L94 HydrophobicContact CD1-CD2 4.22Å; V92-L94 HydrophobicContact CG1-CD1 4.04Å; V92-L94 HydrophobicContact CG1-CG 4.2Å; L94-A96 PolarHBondContact O-N 2.83Å; L94-V106 WeakPolarHBondContact O-CA 3.36Å; L94-Q107 HydrophobicContact CB-CB 4.49Å; L94-Q107 HydrophobicContact CD1-CB 4.48Å; L94-Q107 PolarHBondContact N-O 2.93Å; L94-Q107 PolarHBondContact O-N 3.18Å; L94-A109 HydrophobicContact CD1-CB 4.1Å; L94-L133 HydrophobicContact CD1-CD1 4.13Å; L94-L133 HydrophobicContact CD2-CD1 4.35Å; L94-V137 HydrophobicContact CD1-CG2 4.32Å; L94-V137 HydrophobicContact CD2-CG1 4.27Å; L94-V137 HydrophobicContact CD2-CG2 4.26Å; L94-I143 HydrophobicContact CB-CD1 3.81Å; L94-I143 HydrophobicContact CB-CG1 4.12Å; L94-I143 HydrophobicContact CB-CG2 4.24Å; L94-I143 HydrophobicContact CD2-CG2 4.23Å |
| 95 | G | 97.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 76.3 | 4.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H31 | H31-G95 PolarHBondContact CE1-O 3.34Å; H31-G95 PolarHBondContact ND1-O 2.96Å; H31-G95 VanDerWaalsContact ND1-O 3.13Å |
| 96 | A | 97.3 | Very high | 94.8 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | trans | -68.3 | 137.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L94 V106 W166 | L94-A96 PolarHBondContact O-N 2.83Å; A96-V106 HydrophobicContact CB-CG1 4.33Å; A96-V106 HydrophobicContact CB-CG2 4.1Å; A96-W166 HydrophobicContact CB-CZ2 4.39Å; A96-W166 WeakPolarHBondContact O-CZ2 3.22Å | ||
| 97 | H | 95.7 | Very high | 95 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 10% | 0.097 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -106.5 | -49.5 | 162.9 | 179.7 | 62.8 | 0 | 0 | 0 | 109.4 | E27 A28 P30 W166 R177 L178 | E27-H97 IonicContact OE1-CD2 2.95Å; E27-H97 IonicContact OE1-CE1 2.82Å; E27-H97 IonicContact OE1-NE2 3.46Å; E27-H97 PolarHBondContact OE1-NE2 3.29Å; A28-H97 PolarHBondContact O-CE1 3.32Å; P30-H97 HydrophobicContact CB-CB 4.26Å; H97-W166 PolarHBondContact O-NE1 3.02Å; H97-R177 CarbonylContact O-C 3.52Å; H97-R177 VanDerWaalsContact O-CA 3.3Å; H97-R177 WeakPolarHBondContact O-CA 3.36Å; H97-L178 PolarHBondContact O-N 3.37Å |
| 98 | D | 95.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 9% | 0.086 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -103.4 | 120.6 | 172.9 | -164.9 | -52.5 | 0 | 0 | 0 | 109.9 | Q100 M101 N176 R177 | D98-Q100 PolarHBondContact OD1-N 2.95Å; D98-M101 HydrophobicContact CB-CB 4.26Å; D98-M101 CarbonylContact O-C 3.49Å; D98-M101 PolarHBondContact OD1-N 3.03Å; D98-M101 WeakPolarHBondContact OD2-CE 3.33Å; D98-N176 CarbonylContact C-O 3.48Å; D98-N176 WeakPolarHBondContact CA-O 3.44Å; D98-R177 HydrophobicContact CB-CG 4.26Å; D98-R177 WeakPolarHBondContact OD2-CG 3.39Å; D98-R177 IonicContact OD2-NE 2.99Å |
| 99 | V | 92.4 | Very high | 95.4 | Very high | 33 Ų | 33 | 49.9 Ų | 49.9 | 20% | 0.2 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -82.5 | -12.8 | -177.8 | -66.2 | 0 | 0 | 0 | 0 | 113.5 | Y38 W166 N176 | Y38-V99 HydrophobicContact CD1-CG1 4.48Å; Y38-V99 HydrophobicContact CD2-CG1 3.75Å; Y38-V99 HydrophobicContact CE2-CG1 4.16Å; Y38-V99 HydrophobicContact CE2-CG2 4.48Å; Y38-V99 HydrophobicContact CG-CG1 3.9Å; V99-W166 HydrophobicContact CG1-CD2 3.95Å; V99-W166 HydrophobicContact CG1-CG 3.99Å; V99-W166 HydrophobicContact CG1-CZ2 4.19Å; V99-N176 WeakPolarHBondContact CG2-O 3.44Å; V99-N176 PolarHBondContact N-O 2.87Å |
| 100 | Q | 90.1 | Very high | 95.5 | Very high | 141 Ų | 141 | 49.1 Ų | 49.1 | 66% | 0.659 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -93.2 | -28.1 | 172.3 | -69.1 | -167.9 | -13 | 0 | 0 | 112.1 | D98 N176 | D98-Q100 PolarHBondContact OD1-N 2.95Å; Q100-N176 HydrophobicContact CG-CB 4.38Å; Q100-N176 WeakPolarHBondContact CG-OD1 3.46Å; Q100-N176 PolarHBondContact NE2-OD1 3.33Å; Q100-N176 VanDerWaalsContact OE1-CG 3.31Å; Q100-N176 PolarHBondContact OE1-ND2 2.85Å; Q100-N176 PolarHBondContact OE1-OD1 3.01Å |
| 101 | M | 91 | Very high | 95.6 | Very high | 127 Ų | 127 | 49.4 Ų | 49.4 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -115.8 | 80.5 | 177.5 | -65 | -171.8 | -62.7 | 0 | 0 | 111.6 | D98 G103 | D98-M101 HydrophobicContact CB-CB 4.26Å; D98-M101 CarbonylContact O-C 3.49Å; D98-M101 PolarHBondContact OD1-N 3.03Å; D98-M101 WeakPolarHBondContact OD2-CE 3.33Å; M101-G103 PolarHBondContact O-N 3.21Å; M101-G103 VanDerWaalsContact O-N 3.08Å |
| 102 | L | 92.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 41% | 0.414 | 27% | 0.269 | S | S | . | . | trans | -68.9 | 108.4 | 180 | -53.5 | -176.7 | 0 | 0 | 0 | 110.9 | Y93 V106 | Y93-L102 HydrophobicContact CD1-CD1 3.82Å; Y93-L102 HydrophobicContact CD1-CD2 4.25Å; Y93-L102 HydrophobicContact CE1-CD1 3.65Å; L102-V106 HydrophobicContact CB-CB 4.37Å; L102-V106 HydrophobicContact CB-CG1 4.5Å; L102-V106 HydrophobicContact CB-CG2 4.3Å; L102-V106 HydrophobicContact CD2-CG1 4.24Å; L102-V106 HydrophobicContact CD2-CG2 4.5Å | ||
| 103 | G | 89.1 | Confident | 95.4 | Very high | 44 Ų | 44 | 51.6 Ų | 51.6 | 45% | 0.454 | 28% | 0.279 | S | S | . | . | trans | -72.9 | 168.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M101 H105 V106 | M101-G103 PolarHBondContact O-N 3.21Å; M101-G103 VanDerWaalsContact O-N 3.08Å; G103-H105 PolarHBondContact O-N 3.13Å; G103-V106 WeakPolarHBondContact O-CB 3.25Å; G103-V106 WeakPolarHBondContact O-CG2 3.48Å; G103-V106 PolarHBondContact O-N 2.94Å | ||
| 104 | K | 92.8 | Very high | 95.3 | Very high | 192 Ų | 192 | 50.3 Ų | 50.3 | 84% | 0.835 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -14.6 | -178.6 | 67.9 | -179 | 178.9 | -178.7 | 0 | 116.2 | ||
| 105 | H | 92.8 | Very high | 95.1 | Very high | 69 Ų | 69 | 50.9 Ų | 50.9 | 32% | 0.319 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -8.1 | -178.8 | -58.2 | -56.2 | 0 | 0 | 0 | 113.1 | G103 F142 | G103-H105 PolarHBondContact O-N 3.13Å; H105-F142 HydrophobicContact CB-CB 4.21Å; H105-F142 HydrophobicContact CB-CD1 4.3Å; H105-F142 HydrophobicContact CB-CD2 3.79Å; H105-F142 HydrophobicContact CB-CE2 4.22Å; H105-F142 HydrophobicContact CB-CG 3.83Å; H105-F142 AromaticContact CD2-CE1 3.75Å; H105-F142 AromaticContact CD2-CE2 3.77Å; H105-F142 AromaticContact CD2-CZ 3.52Å; H105-F142 AromaticContact CE1-CE2 3.48Å; H105-F142 VanDerWaalsContact CE1-CE2 3.48Å; H105-F142 WeakPolarHBondContact CE1-CE2 3.41Å; H105-F142 AromaticContact CE1-CZ 3.67Å; H105-F142 AromaticContact CG-CD2 3.63Å; H105-F142 AromaticContact CG-CE2 3.53Å; H105-F142 AromaticContact CG-CG 3.99Å; H105-F142 AromaticContact CG-CZ 3.8Å; H105-F142 AromaticContact ND1-CD2 3.72Å; H105-F142 AromaticContact ND1-CE2 3.36Å; H105-F142 WeakPolarHBondContact ND1-CE2 3.33Å; H105-F142 AromaticContact ND1-CZ 3.9Å; H105-F142 AromaticContact NE2-CE2 3.77Å; H105-F142 AromaticContact NE2-CZ 3.47Å; H105-F142 WeakPolarHBondContact NE2-CZ 3.2Å |
| 106 | V | 97.7 | Very high | 94.8 | Very high | 28 Ų | 28 | 53 Ų | 53 | 17% | 0.17 | 29% | 0.29 | C | S | . | . | trans | -73.2 | 131.6 | 178.6 | -180 | 0 | 0 | 0 | 0 | 109.5 | Y93 L94 A96 L102 G103 V108 | Y93-V106 HydrophobicContact CD1-CG1 4.45Å; L94-V106 WeakPolarHBondContact O-CA 3.36Å; A96-V106 HydrophobicContact CB-CG1 4.33Å; A96-V106 HydrophobicContact CB-CG2 4.1Å; L102-V106 HydrophobicContact CB-CB 4.37Å; L102-V106 HydrophobicContact CB-CG1 4.5Å; L102-V106 HydrophobicContact CB-CG2 4.3Å; L102-V106 HydrophobicContact CD2-CG1 4.24Å; L102-V106 HydrophobicContact CD2-CG2 4.5Å; G103-V106 WeakPolarHBondContact O-CB 3.25Å; G103-V106 WeakPolarHBondContact O-CG2 3.48Å; G103-V106 PolarHBondContact O-N 2.94Å; V106-V108 HydrophobicContact CG1-CG2 4.44Å | ||
| 107 | Q | 98 | Very high | 94.3 | Very high | 53 Ų | 53 | 53 Ų | 53 | 25% | 0.248 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 131 | 169.6 | -64.6 | -170.5 | 43.4 | 0 | 0 | 109.7 | Y93 L94 I143 | Y93-Q107 WeakPolarHBondContact CA-O 3.3Å; L94-Q107 HydrophobicContact CB-CB 4.49Å; L94-Q107 HydrophobicContact CD1-CB 4.48Å; L94-Q107 PolarHBondContact N-O 2.93Å; L94-Q107 PolarHBondContact O-N 3.18Å; Q107-I143 HydrophobicContact CB-CD1 4.04Å; Q107-I143 HydrophobicContact CG-CD1 3.72Å |
| 108 | V | 97.9 | Very high | 93.6 | Very high | 67 Ų | 67 | 56.5 Ų | 56.5 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 118.9 | 175.8 | -173 | 0 | 0 | 0 | 0 | 108.1 | T91 V92 Y93 V106 R135 | T91-V108 HydrophobicContact CG2-CG1 3.33Å; V92-V108 WeakPolarHBondContact O-CA 3.32Å; Y93-V108 HydrophobicContact CD1-CB 4.49Å; Y93-V108 HydrophobicContact CD1-CG1 4.26Å; Y93-V108 HydrophobicContact CD1-CG2 3.67Å; Y93-V108 HydrophobicContact CE1-CG1 3.96Å; Y93-V108 HydrophobicContact CE1-CG2 3.76Å; V106-V108 HydrophobicContact CG1-CG2 4.44Å; V108-R135 PolarHBondContact O-NH2 2.81Å |
| 109 | A | 98.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 57.4 Ų | 57.4 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 141.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V92 L94 L133 | V92-A109 PolarHBondContact N-O 2.03Å; V92-A109 PolarHBondContact O-N 2.95Å; L94-A109 HydrophobicContact CD1-CB 4.1Å; A109-L133 HydrophobicContact CB-CB 4.37Å; A109-L133 HydrophobicContact CB-CD1 3.95Å; A109-L133 HydrophobicContact CB-CD2 3.97Å; A109-L133 HydrophobicContact CB-CG 4.32Å |
| 110 | A | 97.9 | Very high | 91.8 | Very high | 43 Ų | 43 | 59.9 Ų | 59.9 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 155.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | L133 D134 | A110-L133 CarbonylContact O-C 3.36Å; A110-L133 WeakPolarHBondContact O-CA 3.49Å; A110-D134 HydrophobicContact CB-CB 4.39Å; A110-D134 PolarHBondContact O-N 3.38Å |
| 111 | V | 98 | Very high | 90.8 | Very high | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 130.9 | 171.9 | 178.1 | 0 | 0 | 0 | 0 | 109 | A87 I90 V92 T113 I114 L131 K132 L133 | A87-V111 CarbonylContact C-O 3.58Å; A87-V111 HydrophobicContact CB-CB 4.38Å; A87-V111 HydrophobicContact CB-CG1 4.06Å; A87-V111 WeakPolarHBondContact CB-O 3.47Å; I90-V111 HydrophobicContact CB-CB 4.23Å; I90-V111 HydrophobicContact CB-CG2 3.85Å; I90-V111 HydrophobicContact CG2-CG2 3.65Å; V92-V111 HydrophobicContact CG2-CG2 3.9Å; V111-T113 WeakPolarHBondContact CG1-O 3.48Å; V111-I114 HydrophobicContact CG1-CG1 3.95Å; V111-L131 HydrophobicContact CG1-CB 3.98Å; V111-L131 HydrophobicContact CG1-CD2 4.39Å; V111-L131 HydrophobicContact CG2-CB 4.02Å; V111-L131 HydrophobicContact CG2-CD1 4.2Å; V111-K132 CarbonylContact C-O 3.54Å; V111-K132 WeakPolarHBondContact CA-O 3.4Å; V111-K132 WeakPolarHBondContact CG1-O 3.4Å; V111-L133 HydrophobicContact CG2-CD2 4.46Å |
| 112 | S | 96.4 | Very high | 89.8 | Confident | 54 Ų | 54 | 56.8 Ų | 56.8 | 38% | 0.378 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -33.1 | 176 | 59.1 | 0 | 0 | 0 | 0 | 112.6 | K132 L133 | S112-K132 PolarHBondContact N-O 2.81Å; S112-K132 PolarHBondContact OG-O 2.86Å; S112-K132 VanDerWaalsContact OG-O 3.07Å; S112-L133 PolarHBondContact OG-O 3.03Å |
| 113 | T | 96.1 | Very high | 88.9 | Confident | 37 Ų | 37 | 59.1 Ų | 59.1 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 142.9 | -177.4 | -50.9 | 0 | 0 | 0 | 0 | 110.3 | V111 K132 L269 F274 | V111-T113 WeakPolarHBondContact CG1-O 3.48Å; T113-K132 PolarHBondContact N-O 3.15Å; T113-K132 PolarHBondContact O-N 2.86Å; T113-L269 HydrophobicContact CG2-CD2 3.55Å; T113-F274 HydrophobicContact CG2-CB 4.11Å |
| 114 | I | 95.6 | Very high | 88.4 | Confident | 30 Ų | 30 | 61 Ų | 61 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.1 | 175.7 | -57.3 | 158.7 | 0 | 0 | 0 | 108.1 | I73 M84 A85 A87 I90 V111 L116 L131 | I73-I114 HydrophobicContact CG2-CD1 3.89Å; I73-I114 HydrophobicContact CG2-CG2 3.98Å; M84-I114 HydrophobicContact CE-CB 3.81Å; M84-I114 HydrophobicContact CE-CD1 3.76Å; M84-I114 HydrophobicContact CE-CG1 4.42Å; M84-I114 HydrophobicContact CE-CG2 3.49Å; M84-I114 VanDerWaalsContact CE-CG2 3.49Å; A85-I114 WeakPolarHBondContact O-CD1 3.39Å; A87-I114 HydrophobicContact CB-CD1 4.12Å; A87-I114 HydrophobicContact CB-CG1 4.27Å; I90-I114 HydrophobicContact CD1-CD1 3.49Å; I90-I114 VanDerWaalsContact CD1-CD1 3.49Å; I90-I114 HydrophobicContact CD1-CG1 4.01Å; V111-I114 HydrophobicContact CG1-CG1 3.95Å; I114-L116 HydrophobicContact CG2-CD2 4.06Å; I114-L116 HydrophobicContact CG2-CG 4.12Å; I114-L131 HydrophobicContact CB-CD2 4.42Å; I114-L131 HydrophobicContact CG1-CD2 3.94Å; I114-L131 HydrophobicContact CG2-CD2 4.05Å |
| 115 | V | 95 | Very high | 87.9 | Confident | 14 Ų | 14 | 56.5 Ų | 56.5 | 9% | 0.085 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.1 | 168.9 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | A129 I130 W261 N265 L269 F274 | V115-A129 CarbonylContact O-C 3.59Å; V115-A129 VanDerWaalsContact O-CA 3.3Å; V115-A129 WeakPolarHBondContact O-CA 3.07Å; V115-I130 HydrophobicContact CB-CB 4.22Å; V115-I130 HydrophobicContact CB-CD1 4.5Å; V115-I130 PolarHBondContact N-O 2.85Å; V115-I130 PolarHBondContact O-N 3.26Å; V115-W261 HydrophobicContact CG1-CH2 4.34Å; V115-W261 HydrophobicContact CG1-CZ2 3.82Å; V115-N265 HydrophobicContact CG1-CB 4.03Å; V115-L269 HydrophobicContact CG2-CD1 3.79Å; V115-L269 HydrophobicContact CG2-CD2 3.85Å; V115-L269 HydrophobicContact CG2-CG 3.99Å; V115-F274 HydrophobicContact CG2-CE2 4.48Å; V115-F274 HydrophobicContact CG2-CZ 4.38Å |
| 116 | L | 92.4 | Very high | 87.6 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141.9 | -178.6 | -63.5 | 168.1 | 0 | 0 | 0 | 110.2 | A70 I73 I74 M84 I114 A129 W261 | A70-L116 HydrophobicContact CB-CD2 4.3Å; I73-L116 HydrophobicContact CB-CD2 4.41Å; I74-L116 HydrophobicContact CD1-CD1 3.62Å; I74-L116 HydrophobicContact CD1-CD2 3.96Å; I74-L116 HydrophobicContact CD1-CG 4.31Å; I74-L116 HydrophobicContact CG1-CD1 3.94Å; I74-L116 HydrophobicContact CG1-CD2 4.15Å; M84-L116 HydrophobicContact CE-CD1 3.5Å; M84-L116 HydrophobicContact CE-CG 4.04Å; M84-L116 HydrophobicContact SD-CD1 3.59Å; M84-L116 VanDerWaalsContact SD-CD1 3.59Å; I114-L116 HydrophobicContact CG2-CD2 4.06Å; I114-L116 HydrophobicContact CG2-CG 4.12Å; L116-A129 HydrophobicContact CD2-CB 3.78Å; L116-W261 VanDerWaalsContact C-CZ2 3.5Å; L116-W261 WeakPolarHBondContact O-CZ2 3.32Å |
| 117 | G | 85.7 | Confident | 87.4 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | trans | -61.4 | 174.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111 | F119 I128 | G117-F119 PolarHBondContact O-N 2.66Å; G117-I128 PolarHBondContact N-O 3.4Å | ||
| 118 | T | 82.3 | Confident | 87.4 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 58% | 0.577 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -76.3 | 65.5 | 176.1 | 68.9 | 0 | 0 | 0 | 0 | 110.4 | H120 E126 | T118-H120 PolarHBondContact O-N 3.09Å; T118-E126 WeakPolarHBondContact CB-OE2 3.14Å; T118-E126 PolarHBondContact N-OE2 3.07Å; T118-E126 PolarHBondContact OG1-OE1 3.17Å; T118-E126 VanDerWaalsContact OG1-OE1 3.08Å; T118-E126 PolarHBondContact OG1-OE2 3.27Å |
| 119 | F | 76.5 | Confident | 87.3 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 15% | 0.154 | 24% | 0.236 | C | C | . | . | trans | -68.9 | 129.6 | -167.1 | 178.6 | -113.1 | 0 | 0 | 0 | 111.9 | A70 H71 I74 G117 K121 K125 D127 | A70-F119 HydrophobicContact CB-CB 3.79Å; A70-F119 HydrophobicContact CB-CD1 4.26Å; A70-F119 HydrophobicContact CB-CD2 3.7Å; A70-F119 HydrophobicContact CB-CE2 4.3Å; A70-F119 HydrophobicContact CB-CG 3.65Å; H71-F119 HydrophobicContact CB-CE1 4.4Å; H71-F119 HydrophobicContact CB-CE2 4.43Å; H71-F119 HydrophobicContact CB-CZ 3.8Å; I74-F119 HydrophobicContact CD1-CB 4.21Å; I74-F119 HydrophobicContact CD1-CD1 3.62Å; I74-F119 HydrophobicContact CD1-CE1 4.4Å; I74-F119 HydrophobicContact CD1-CG 4.24Å; G117-F119 PolarHBondContact O-N 2.66Å; F119-K121 HydrophobicContact CE1-CB 4.09Å; F119-K121 HydrophobicContact CE1-CG 4.49Å; F119-K121 HydrophobicContact CZ-CB 4.4Å; F119-K125 VanDerWaalsContact CA-O 3.29Å; F119-K125 WeakPolarHBondContact CA-O 3.32Å; F119-K125 WeakPolarHBondContact CD2-O 3.42Å; F119-D127 HydrophobicContact CD2-CB 4.08Å; F119-D127 HydrophobicContact CE2-CB 3.83Å; F119-D127 WeakPolarHBondContact CE2-OD1 3.45Å | ||
| 120 | H | 72.1 | Confident | 87.3 | Confident | 86 Ų | 86 | 48 Ų | 48 | 40% | 0.398 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -122.1 | 110.3 | 171.5 | -162.7 | -71.1 | 0 | 0 | 0 | 110.7 | T118 Y122 W123 R124 K125 | T118-H120 PolarHBondContact O-N 3.09Å; H120-Y122 AromaticContact CE1-CD2 3.89Å; H120-Y122 PolarHBondContact O-N 2.63Å; H120-W123 AromaticContact CE1-CD1 3.54Å; H120-W123 AromaticContact CE1-NE1 3.74Å; H120-W123 AromaticContact CG-CD1 3.81Å; H120-W123 AromaticContact ND1-CD1 3.26Å; H120-W123 VanDerWaalsContact ND1-CD1 3.26Å; H120-W123 AromaticContact ND1-NE1 3.92Å; H120-W123 PolarHBondContact O-N 2.9Å; H120-R124 WeakPolarHBondContact O-CA 3.42Å; H120-R124 PolarHBondContact O-N 2.61Å; H120-K125 HydrophobicContact CB-CB 3.97Å; H120-K125 PolarHBondContact N-O 3.14Å; H120-K125 VanDerWaalsContact N-O 3.13Å; H120-K125 PolarHBondContact O-N 2.62Å |
| 121 | K | 70 | Confident | 87.3 | Confident | 79 Ų | 79 | 46 Ų | 46 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -51.1 | -53.2 | -172.1 | -167.8 | -137.5 | -166 | 171 | 0 | 113.6 | V76 F119 W123 R124 | V76-K121 HydrophobicContact CB-CB 4.04Å; V76-K121 HydrophobicContact CB-CD 3.5Å; V76-K121 HydrophobicContact CB-CG 3.74Å; V76-K121 HydrophobicContact CG1-CB 4.21Å; V76-K121 HydrophobicContact CG1-CD 3.65Å; V76-K121 HydrophobicContact CG1-CG 4.21Å; V76-K121 HydrophobicContact CG2-CB 3.89Å; V76-K121 HydrophobicContact CG2-CD 4.29Å; V76-K121 HydrophobicContact CG2-CG 3.98Å; V76-K121 WeakPolarHBondContact O-CE 3.16Å; V76-K121 PolarHBondContact O-NZ 2.71Å; F119-K121 HydrophobicContact CE1-CB 4.09Å; F119-K121 HydrophobicContact CE1-CG 4.49Å; F119-K121 HydrophobicContact CZ-CB 4.4Å; K121-W123 VanDerWaalsContact C-N 3.3Å; K121-W123 PolarHBondContact O-N 3.07Å; K121-R124 PolarHBondContact O-N 3.01Å; K121-R124 VanDerWaalsContact O-N 3.17Å |
| 122 | Y | 69 | Low | 87.3 | Confident | 124 Ų | 124 | 46.5 Ų | 46.5 | 49% | 0.486 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -58.3 | -40.5 | -175 | -71.5 | -72.1 | 0 | 0 | 0 | 113.3 | E78 H120 N194 | E78-Y122 WeakPolarHBondContact OE1-CE1 3.31Å; E78-Y122 PolarHBondContact OE1-OH 3.38Å; E78-Y122 VanDerWaalsContact OE1-OH 3.04Å; H120-Y122 AromaticContact CE1-CD2 3.89Å; H120-Y122 PolarHBondContact O-N 2.63Å; Y122-N194 PolarHBondContact O-ND2 3.26Å; Y122-N194 PolarHBondContact O-OD1 2.79Å |
| 123 | W | 73.8 | Confident | 87.4 | Confident | 128 Ų | 128 | 44 Ų | 44 | 49% | 0.485 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -94.9 | -5.7 | -177.2 | -54.1 | 117.5 | 0 | 0 | 0 | 112.9 | H120 K121 K125 | H120-W123 AromaticContact CE1-CD1 3.54Å; H120-W123 AromaticContact CE1-NE1 3.74Å; H120-W123 AromaticContact CG-CD1 3.81Å; H120-W123 AromaticContact ND1-CD1 3.26Å; H120-W123 VanDerWaalsContact ND1-CD1 3.26Å; H120-W123 AromaticContact ND1-NE1 3.92Å; H120-W123 PolarHBondContact O-N 2.9Å; K121-W123 VanDerWaalsContact C-N 3.3Å; K121-W123 PolarHBondContact O-N 3.07Å; W123-K125 HydrophobicContact CB-CB 4.18Å; W123-K125 PolarHBondContact O-N 2.79Å |
| 124 | R | 78.1 | Confident | 87.4 | Confident | 83 Ų | 83 | 46.3 Ų | 46.3 | 31% | 0.313 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.1 | 38.6 | -162.1 | -64.8 | -162.8 | 174.7 | 101.9 | -3.1 | 112.3 | H120 K121 E126 D127 M200 F237 | H120-R124 WeakPolarHBondContact O-CA 3.42Å; H120-R124 PolarHBondContact O-N 2.61Å; K121-R124 PolarHBondContact O-N 3.01Å; K121-R124 VanDerWaalsContact O-N 3.17Å; R124-E126 PolarHBondContact O-N 2.85Å; R124-D127 HydrophobicContact CB-CB 4.46Å; R124-M200 WeakPolarHBondContact O-CE 3.39Å; R124-F237 HydrophobicContact CB-CD1 4.26Å; R124-F237 HydrophobicContact CB-CE1 4.24Å; R124-F237 VanDerWaalsContact CD-CD1 3.45Å; R124-F237 HydrophobicContact CG-CD1 4.37Å |
| 125 | K | 82.1 | Confident | 87.4 | Confident | 97 Ų | 97 | 49.3 Ų | 49.3 | 42% | 0.422 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -67.4 | 131.8 | 177.9 | 176.2 | 176.8 | 178.8 | -163.3 | 0 | 107.5 | F119 H120 W123 D127 | F119-K125 VanDerWaalsContact CA-O 3.29Å; F119-K125 WeakPolarHBondContact CA-O 3.32Å; F119-K125 WeakPolarHBondContact CD2-O 3.42Å; H120-K125 HydrophobicContact CB-CB 3.97Å; H120-K125 PolarHBondContact N-O 3.14Å; H120-K125 VanDerWaalsContact N-O 3.13Å; H120-K125 PolarHBondContact O-N 2.62Å; W123-K125 HydrophobicContact CB-CB 4.18Å; W123-K125 PolarHBondContact O-N 2.79Å; K125-D127 VanDerWaalsContact C-N 3.34Å; K125-D127 PolarHBondContact O-N 2.86Å |
| 126 | E | 86.5 | Confident | 87.4 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 19% | 0.192 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 50.3 | 177.5 | -56.2 | -176.6 | -160.6 | 0 | 0 | 113.3 | T118 R124 I128 F258 | T118-E126 WeakPolarHBondContact CB-OE2 3.14Å; T118-E126 PolarHBondContact N-OE2 3.07Å; T118-E126 PolarHBondContact OG1-OE1 3.17Å; T118-E126 VanDerWaalsContact OG1-OE1 3.08Å; T118-E126 PolarHBondContact OG1-OE2 3.27Å; R124-E126 PolarHBondContact O-N 2.85Å; E126-I128 PolarHBondContact O-N 2.86Å; E126-F258 HydrophobicContact CB-CE1 4.02Å; E126-F258 HydrophobicContact CB-CZ 4.26Å; E126-F258 HydrophobicContact CG-CE1 3.63Å; E126-F258 HydrophobicContact CG-CZ 3.87Å |
| 127 | D | 94.6 | Very high | 87.6 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -72.4 | 55.9 | -179.9 | -171.6 | 23 | 0 | 0 | 0 | 113.2 | A69 A70 H71 F119 R124 K125 S236 V253 | A69-D127 VanDerWaalsContact CA-O 3.25Å; A69-D127 WeakPolarHBondContact CA-O 3.47Å; A70-D127 PolarHBondContact N-O 3.01Å; A70-D127 PolarHBondContact N-OD1 3.25Å; H71-D127 IonicContact CE1-OD2 2.71Å; H71-D127 PolarHBondContact CE1-OD2 2.9Å; H71-D127 IonicContact CG-OD1 3.96Å; H71-D127 IonicContact CG-OD2 3.84Å; H71-D127 PolarHBondContact N-OD1 2.71Å; H71-D127 VanDerWaalsContact ND1-CG 3.25Å; H71-D127 IonicContact ND1-OD1 2.83Å; H71-D127 PolarHBondContact ND1-OD1 2.99Å; H71-D127 IonicContact ND1-OD2 2.72Å; H71-D127 PolarHBondContact ND1-OD2 2.84Å; F119-D127 HydrophobicContact CD2-CB 4.08Å; F119-D127 HydrophobicContact CE2-CB 3.83Å; F119-D127 WeakPolarHBondContact CE2-OD1 3.45Å; R124-D127 HydrophobicContact CB-CB 4.46Å; K125-D127 VanDerWaalsContact C-N 3.34Å; K125-D127 PolarHBondContact O-N 2.86Å; D127-S236 WeakPolarHBondContact OD2-CB 3.24Å; D127-S236 PolarHBondContact OD2-OG 2.83Å; D127-V253 HydrophobicContact CB-CG2 3.91Å; D127-V253 VanDerWaalsContact O-CG2 3.25Å; D127-V253 WeakPolarHBondContact O-CG2 3.44Å | ||
| 128 | I | 97 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -131.7 | 138.9 | -173.4 | -168.3 | 167.8 | 0 | 0 | 0 | 111 | L67 G117 E126 L234 V253 F258 W261 L262 | L67-I128 HydrophobicContact CD1-CD1 3.97Å; L67-I128 HydrophobicContact CD1-CG1 3.75Å; G117-I128 PolarHBondContact N-O 3.4Å; E126-I128 PolarHBondContact O-N 2.86Å; I128-L234 HydrophobicContact CB-CD1 4.42Å; I128-L234 HydrophobicContact CD1-CD1 4.19Å; I128-L234 HydrophobicContact CG1-CD1 3.79Å; I128-V253 HydrophobicContact CB-CG1 4.31Å; I128-V253 HydrophobicContact CD1-CG1 4.38Å; I128-F258 HydrophobicContact CD1-CB 3.8Å; I128-F258 HydrophobicContact CD1-CD2 4.36Å; I128-F258 HydrophobicContact CD1-CG 4.01Å; I128-F258 HydrophobicContact CG2-CD1 4.11Å; I128-F258 HydrophobicContact CG2-CE1 4.33Å; I128-F258 HydrophobicContact CG2-CG 4.46Å; I128-W261 HydrophobicContact CD1-CE3 4.43Å; I128-W261 HydrophobicContact CD1-CZ3 4.13Å; I128-W261 HydrophobicContact CG1-CZ3 4.04Å; I128-W261 HydrophobicContact CG2-CE3 4.42Å; I128-W261 HydrophobicContact CG2-CH2 4.28Å; I128-W261 HydrophobicContact CG2-CZ3 4.05Å; I128-L262 HydrophobicContact CD1-CD2 4.21Å | ||
| 129 | A | 97.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T68 A70 V115 L116 | T68-A129 HydrophobicContact CG2-CB 4.17Å; T68-A129 PolarHBondContact N-O 3.06Å; T68-A129 PolarHBondContact O-N 3.15Å; A70-A129 HydrophobicContact CB-CB 4.5Å; V115-A129 CarbonylContact O-C 3.59Å; V115-A129 VanDerWaalsContact O-CA 3.3Å; V115-A129 WeakPolarHBondContact O-CA 3.07Å; L116-A129 HydrophobicContact CD2-CB 3.78Å |
| 130 | I | 97.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.5 | 171.1 | -53.4 | 165 | 0 | 0 | 0 | 108.1 | I65 I66 L67 V115 W261 L262 N265 I266 L269 | I65-I130 HydrophobicContact CG2-CG2 3.73Å; I66-I130 CarbonylContact O-C 3.47Å; I66-I130 WeakPolarHBondContact O-CA 3.47Å; L67-I130 HydrophobicContact CD1-CG1 4.37Å; V115-I130 HydrophobicContact CB-CB 4.22Å; V115-I130 HydrophobicContact CB-CD1 4.5Å; V115-I130 PolarHBondContact N-O 2.85Å; V115-I130 PolarHBondContact O-N 3.26Å; I130-W261 HydrophobicContact CD1-CE3 4.38Å; I130-W261 HydrophobicContact CD1-CH2 3.75Å; I130-W261 HydrophobicContact CD1-CZ3 3.67Å; I130-W261 HydrophobicContact CG1-CH2 3.73Å; I130-W261 HydrophobicContact CG1-CZ3 3.71Å; I130-L262 HydrophobicContact CD1-CD2 3.93Å; I130-L262 HydrophobicContact CG1-CD2 3.89Å; I130-N265 HydrophobicContact CD1-CB 3.77Å; I130-I266 HydrophobicContact CD1-CG1 4.1Å; I130-L269 HydrophobicContact CB-CD1 4.41Å; I130-L269 HydrophobicContact CG2-CD1 3.73Å |
| 131 | L | 97.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122 | 166.8 | -43 | 173.4 | 0 | 0 | 0 | 108.2 | I39 I66 T68 I73 I90 V92 V111 I114 | I39-L131 HydrophobicContact CD1-CD1 3.91Å; I39-L131 HydrophobicContact CG2-CD1 4.3Å; I66-L131 HydrophobicContact CB-CB 4.08Å; I66-L131 HydrophobicContact CG2-CD1 4.39Å; I66-L131 PolarHBondContact N-O 2.95Å; I66-L131 PolarHBondContact O-N 3.07Å; T68-L131 HydrophobicContact CG2-CD1 4.11Å; T68-L131 HydrophobicContact CG2-CG 4.16Å; I73-L131 HydrophobicContact CD1-CD1 4.26Å; I73-L131 HydrophobicContact CD1-CD2 3.94Å; I73-L131 HydrophobicContact CG1-CD2 4Å; I90-L131 HydrophobicContact CD1-CD2 4.37Å; I90-L131 HydrophobicContact CG2-CD1 4.17Å; V92-L131 HydrophobicContact CG2-CD1 4.31Å; V111-L131 HydrophobicContact CG1-CB 3.98Å; V111-L131 HydrophobicContact CG1-CD2 4.39Å; V111-L131 HydrophobicContact CG2-CB 4.02Å; V111-L131 HydrophobicContact CG2-CD1 4.2Å; I114-L131 HydrophobicContact CB-CD2 4.42Å; I114-L131 HydrophobicContact CG1-CD2 3.94Å; I114-L131 HydrophobicContact CG2-CD2 4.05Å |
| 132 | K | 97.5 | Very high | 92.3 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 122.9 | 168.1 | -171.3 | -170.4 | 177 | -178.8 | 0 | 108.3 | N64 I65 V111 S112 T113 L269 N272 | N64-K132 CarbonylContact O-C 3.27Å; N64-K132 WeakPolarHBondContact O-CA 3.48Å; I65-K132 HydrophobicContact CD1-CB 4.45Å; I65-K132 HydrophobicContact CD1-CG 4.23Å; V111-K132 CarbonylContact C-O 3.54Å; V111-K132 WeakPolarHBondContact CA-O 3.4Å; V111-K132 WeakPolarHBondContact CG1-O 3.4Å; S112-K132 PolarHBondContact N-O 2.81Å; S112-K132 PolarHBondContact OG-O 2.86Å; S112-K132 VanDerWaalsContact OG-O 3.07Å; T113-K132 PolarHBondContact N-O 3.15Å; T113-K132 PolarHBondContact O-N 2.86Å; K132-L269 HydrophobicContact CB-CD1 4.36Å; K132-L269 HydrophobicContact CB-CD2 4.12Å; K132-L269 HydrophobicContact CD-CB 4.19Å; K132-L269 HydrophobicContact CD-CD2 4.07Å; K132-L269 PolarHBondContact NZ-O 2.86Å; K132-N272 PolarHBondContact NZ-OD1 3.03Å |
| 133 | L | 98.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 158.7 | 173 | -55.8 | -179.5 | 0 | 0 | 0 | 110.8 | N64 I66 V92 L94 A109 A110 V111 S112 R135 V137 | N64-L133 HydrophobicContact CB-CB 4.06Å; N64-L133 PolarHBondContact O-N 2.85Å; I66-L133 HydrophobicContact CD1-CD1 4.19Å; I66-L133 HydrophobicContact CD1-CG 4.49Å; I66-L133 HydrophobicContact CG1-CD1 4.28Å; I66-L133 HydrophobicContact CG1-CD2 3.85Å; I66-L133 HydrophobicContact CG1-CG 4.05Å; V92-L133 HydrophobicContact CB-CD2 3.86Å; V92-L133 HydrophobicContact CG1-CD2 4.31Å; V92-L133 HydrophobicContact CG2-CD2 3.79Å; L94-L133 HydrophobicContact CD1-CD1 4.13Å; L94-L133 HydrophobicContact CD2-CD1 4.35Å; A109-L133 HydrophobicContact CB-CB 4.37Å; A109-L133 HydrophobicContact CB-CD1 3.95Å; A109-L133 HydrophobicContact CB-CD2 3.97Å; A109-L133 HydrophobicContact CB-CG 4.32Å; A110-L133 CarbonylContact O-C 3.36Å; A110-L133 WeakPolarHBondContact O-CA 3.49Å; V111-L133 HydrophobicContact CG2-CD2 4.46Å; S112-L133 PolarHBondContact OG-O 3.03Å; L133-R135 PolarHBondContact O-N 3.27Å; L133-V137 HydrophobicContact CD1-CG2 3.69Å |
| 134 | D | 96.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 39 Ų | 39 | 46% | 0.46 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | -17.9 | 174.9 | 64.3 | -9.1 | 0 | 0 | 0 | 114.1 | A110 | A110-D134 HydrophobicContact CB-CB 4.39Å; A110-D134 PolarHBondContact O-N 3.38Å |
| 135 | R | 95.9 | Very high | 95.7 | Very high | 94 Ų | 94 | 35.1 Ų | 35.1 | 36% | 0.355 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 161.1 | -179.5 | 70.6 | -168.9 | 178.5 | -88.9 | 6.6 | 112.5 | N64 V108 L133 | N64-R135 WeakPolarHBondContact CB-O 3.47Å; V108-R135 PolarHBondContact O-NH2 2.81Å; L133-R135 PolarHBondContact O-N 3.27Å |
| 136 | Q | 95.5 | Very high | 96.5 | Very high | 75 Ų | 75 | 30.5 Ų | 30.5 | 35% | 0.35 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 135.5 | 169 | -73 | -70.1 | -3.1 | 0 | 0 | 111.1 | A62 N64 | A62-Q136 HydrophobicContact CB-CB 4.2Å; N64-Q136 VanDerWaalsContact N-OE1 3.17Å |
| 137 | V | 96.7 | Very high | 97 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 108.6 | 174.5 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | A62 S63 L94 L133 I143 | A62-V137 WeakPolarHBondContact CA-O 3.42Å; A62-V137 WeakPolarHBondContact CB-O 3.46Å; S63-V137 PolarHBondContact N-O 2.95Å; S63-V137 WeakPolarHBondContact O-CB 3.49Å; S63-V137 PolarHBondContact O-N 3.36Å; L94-V137 HydrophobicContact CD1-CG2 4.32Å; L94-V137 HydrophobicContact CD2-CG1 4.27Å; L94-V137 HydrophobicContact CD2-CG2 4.26Å; L133-V137 HydrophobicContact CD1-CG2 3.69Å; V137-I143 HydrophobicContact CG1-CD1 4.29Å; V137-I143 HydrophobicContact CG1-CG2 3.74Å |
| 138 | A | 96 | Very high | 97.2 | Very high | 61 Ų | 61 | 30.3 Ų | 30.3 | 50% | 0.504 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 136.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N140 | A138-N140 PolarHBondContact O-ND2 3.23Å |
| 139 | Y | 96.9 | Very high | 97.1 | Very high | 37 Ų | 37 | 30.7 Ų | 30.7 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | trans | -72.1 | 144.7 | 179.3 | -64.7 | -4.5 | 0 | 0 | 0 | 111.6 | L54 H56 N61 I143 Q144 G145 | L54-Y139 HydrophobicContact CD2-CD1 4.35Å; L54-Y139 HydrophobicContact CD2-CE1 3.84Å; H56-Y139 VanDerWaalsContact CA-OH 3.29Å; H56-Y139 WeakPolarHBondContact CA-OH 3.38Å; H56-Y139 AromaticContact ND1-CE2 3.4Å; H56-Y139 WeakPolarHBondContact ND1-CE2 3.43Å; H56-Y139 AromaticContact ND1-CZ 3.63Å; H56-Y139 PolarHBondContact ND1-OH 3.42Å; N61-Y139 WeakPolarHBondContact O-CB 3.26Å; N61-Y139 PolarHBondContact O-N 2.81Å; Y139-I143 CarbonylContact C-O 3.6Å; Y139-I143 VanDerWaalsContact CA-O 3.23Å; Y139-I143 WeakPolarHBondContact CA-O 3.5Å; Y139-Q144 HydrophobicContact CD2-CG 3.95Å; Y139-Q144 HydrophobicContact CE2-CG 4.27Å; Y139-Q144 HydrophobicContact CG-CB 4.47Å; Y139-Q144 HydrophobicContact CG-CG 4.35Å; Y139-G145 VanDerWaalsContact CZ-N 3.26Å | ||
| 140 | N | 96.2 | Very high | 97.1 | Very high | 65 Ų | 65 | 34.1 Ų | 34.1 | 35% | 0.348 | 18% | 0.178 | S | C | . | . | trans | -154.5 | -170.6 | 176.4 | 59.6 | 61.5 | 0 | 0 | 0 | 109.3 | A138 F142 I143 | A138-N140 PolarHBondContact O-ND2 3.23Å; N140-F142 PolarHBondContact O-N 3.4Å; N140-F142 VanDerWaalsContact O-N 3.15Å; N140-F142 WeakPolarHBondContact OD1-CA 3.48Å; N140-F142 WeakPolarHBondContact OD1-CB 3.47Å; N140-F142 WeakPolarHBondContact OD1-CD2 3.26Å; N140-F142 PolarHBondContact OD1-N 2.62Å; N140-I143 PolarHBondContact N-O 3.04Å; N140-I143 PolarHBondContact OD1-N 3.18Å | ||
| 141 | H | 96.7 | Very high | 97 | Very high | 98 Ų | 98 | 38.1 Ų | 38.1 | 45% | 0.454 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -64.4 | -18 | -178.6 | -59.6 | 163.6 | 0 | 0 | 0 | 114.5 | F7 F8 | F7-H141 HydrophobicContact CB-CB 4.1Å; F7-H141 HydrophobicContact CD1-CB 4.17Å; F7-H141 AromaticContact CD2-CD2 3.63Å; F7-H141 AromaticContact CD2-NE2 3.75Å; F7-H141 AromaticContact CE2-CE1 3.91Å; F7-H141 AromaticContact CE2-NE2 3.82Å; F7-H141 HydrophobicContact CG-CB 4.09Å; F7-H141 AromaticContact CG-CD2 3.82Å; F7-H141 AromaticContact CG-CG 3.85Å; F8-H141 WeakPolarHBondContact CD2-O 3.36Å; F8-H141 HydrophobicContact CE2-CB 4.01Å; F8-H141 WeakPolarHBondContact CE2-O 3.33Å; F8-H141 HydrophobicContact CZ-CB 4.48Å |
| 142 | F | 97.5 | Very high | 96.9 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -108 | -24 | -174.3 | -46.8 | -76.4 | 0 | 0 | 0 | 113.2 | F8 H31 P34 H105 N140 | F8-F142 HydrophobicContact CE2-CD1 4.01Å; F8-F142 AromaticContact CE2-CE1 3.92Å; F8-F142 HydrophobicContact CE2-CE1 3.92Å; F8-F142 HydrophobicContact CZ-CE1 4.12Å; H31-F142 HydrophobicContact CB-CD1 4.05Å; H31-F142 AromaticContact CD2-CD1 3.6Å; H31-F142 AromaticContact CD2-CE1 4Å; H31-F142 AromaticContact CE1-CD1 3.96Å; H31-F142 AromaticContact CG-CD1 3.55Å; H31-F142 AromaticContact ND1-CD1 3.79Å; H31-F142 AromaticContact NE2-CD1 3.87Å; P34-F142 WeakPolarHBondContact CB-O 3.33Å; H105-F142 HydrophobicContact CB-CB 4.21Å; H105-F142 HydrophobicContact CB-CD1 4.3Å; H105-F142 HydrophobicContact CB-CD2 3.79Å; H105-F142 HydrophobicContact CB-CE2 4.22Å; H105-F142 HydrophobicContact CB-CG 3.83Å; H105-F142 AromaticContact CD2-CE1 3.75Å; H105-F142 AromaticContact CD2-CE2 3.77Å; H105-F142 AromaticContact CD2-CZ 3.52Å; H105-F142 AromaticContact CE1-CE2 3.48Å; H105-F142 VanDerWaalsContact CE1-CE2 3.48Å; H105-F142 WeakPolarHBondContact CE1-CE2 3.41Å; H105-F142 AromaticContact CE1-CZ 3.67Å; H105-F142 AromaticContact CG-CD2 3.63Å; H105-F142 AromaticContact CG-CE2 3.53Å; H105-F142 AromaticContact CG-CG 3.99Å; H105-F142 AromaticContact CG-CZ 3.8Å; H105-F142 AromaticContact ND1-CD2 3.72Å; H105-F142 AromaticContact ND1-CE2 3.36Å; H105-F142 WeakPolarHBondContact ND1-CE2 3.33Å; H105-F142 AromaticContact ND1-CZ 3.9Å; H105-F142 AromaticContact NE2-CE2 3.77Å; H105-F142 AromaticContact NE2-CZ 3.47Å; H105-F142 WeakPolarHBondContact NE2-CZ 3.2Å; N140-F142 PolarHBondContact O-N 3.4Å; N140-F142 VanDerWaalsContact O-N 3.15Å; N140-F142 WeakPolarHBondContact OD1-CA 3.48Å; N140-F142 WeakPolarHBondContact OD1-CB 3.47Å; N140-F142 WeakPolarHBondContact OD1-CD2 3.26Å; N140-F142 PolarHBondContact OD1-N 2.62Å |
| 143 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -133.4 | 123.2 | -177.8 | -58.2 | 168 | 0 | 0 | 0 | 109.2 | P34 L54 L94 Q107 V137 Y139 N140 | P34-I143 WeakPolarHBondContact O-CA 3.27Å; L54-I143 HydrophobicContact CD2-CG2 3.61Å; L94-I143 HydrophobicContact CB-CD1 3.81Å; L94-I143 HydrophobicContact CB-CG1 4.12Å; L94-I143 HydrophobicContact CB-CG2 4.24Å; L94-I143 HydrophobicContact CD2-CG2 4.23Å; Q107-I143 HydrophobicContact CB-CD1 4.04Å; Q107-I143 HydrophobicContact CG-CD1 3.72Å; V137-I143 HydrophobicContact CG1-CD1 4.29Å; V137-I143 HydrophobicContact CG1-CG2 3.74Å; Y139-I143 CarbonylContact C-O 3.6Å; Y139-I143 VanDerWaalsContact CA-O 3.23Å; Y139-I143 WeakPolarHBondContact CA-O 3.5Å; N140-I143 PolarHBondContact N-O 3.04Å; N140-I143 PolarHBondContact OD1-N 3.18Å | ||
| 144 | Q | 97.4 | Very high | 96.7 | Very high | 24 Ų | 24 | 48 Ų | 48 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | trans | -157.5 | 142 | 179.3 | -178.9 | -164.3 | 70.2 | 0 | 0 | 108.6 | I2 K5 P34 W35 Y139 | I2-Q144 PolarHBondContact O-NE2 2.87Å; K5-Q144 VanDerWaalsContact C-OE1 3.29Å; K5-Q144 PolarHBondContact O-NE2 3Å; K5-Q144 PolarHBondContact O-OE1 2.63Å; K5-Q144 VanDerWaalsContact O-OE1 3.11Å; P34-Q144 CarbonylContact C-O 3.53Å; P34-Q144 VanDerWaalsContact C-O 3.27Å; P34-Q144 HydrophobicContact CB-CB 4.03Å; P34-Q144 HydrophobicContact CG-CB 3.85Å; P34-Q144 PolarHBondContact O-N 3.08Å; P34-Q144 VanDerWaalsContact O-N 3.09Å; W35-Q144 WeakPolarHBondContact CA-O 3.47Å; W35-Q144 VanDerWaalsContact CB-O 3.26Å; W35-Q144 WeakPolarHBondContact CB-O 3.39Å; W35-Q144 PolarHBondContact N-O 3.1Å; W35-Q144 VanDerWaalsContact N-O 3.09Å; Y139-Q144 HydrophobicContact CD2-CG 3.95Å; Y139-Q144 HydrophobicContact CE2-CG 4.27Å; Y139-Q144 HydrophobicContact CG-CB 4.47Å; Y139-Q144 HydrophobicContact CG-CG 4.35Å | ||
| 145 | G | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 147.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | C3 G4 L54 Y139 | C3-G145 WeakPolarHBondContact CA-O 3.3Å; C3-G145 WeakPolarHBondContact CB-O 2.96Å; G4-G145 PolarHBondContact N-O 3.18Å; L54-G145 CarbonylContact O-C 3.54Å; L54-G145 WeakPolarHBondContact O-CA 3.48Å; Y139-G145 VanDerWaalsContact CZ-N 3.26Å |
| 146 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -80.8 | 148.6 | 168.7 | -168.5 | 160.5 | 0 | 0 | 0 | 110.4 | W35 L54 L55 H56 A222 Y229 I231 | W35-I146 HydrophobicContact CB-CB 3.76Å; W35-I146 HydrophobicContact CB-CG2 4.2Å; W35-I146 HydrophobicContact CD2-CB 3.81Å; W35-I146 HydrophobicContact CD2-CD1 4.05Å; W35-I146 HydrophobicContact CD2-CG1 4.17Å; W35-I146 HydrophobicContact CE3-CB 4.19Å; W35-I146 HydrophobicContact CG-CB 3.61Å; W35-I146 HydrophobicContact CG-CD1 4.21Å; W35-I146 HydrophobicContact CG-CG1 4.35Å; W35-I146 HydrophobicContact CG-CG2 4.29Å; W35-I146 HydrophobicContact CZ2-CD1 4.12Å; L54-I146 PolarHBondContact O-N 3.5Å; L55-I146 HydrophobicContact CD2-CG2 3.96Å; H56-I146 WeakPolarHBondContact CB-O 3.46Å; H56-I146 PolarHBondContact N-O 2.83Å; I146-A222 HydrophobicContact CD1-CB 3.76Å; I146-Y229 WeakPolarHBondContact CG1-O 3.44Å; I146-I231 HydrophobicContact CD1-CB 3.84Å; I146-I231 HydrophobicContact CG1-CB 4.14Å; I146-I231 HydrophobicContact CG2-CB 3.84Å; I146-I231 HydrophobicContact CG2-CD1 4.24Å; I146-I231 HydrophobicContact CG2-CG2 3.93Å |
| 147 | C | 97.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -73.1 | 143.1 | 177.1 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | C3 T228 Y229 Y230 I231 | C3-C147 HydrophobicContact CB-CB 4.08Å; C3-C147 WeakPolarHBondContact CB-SG 2.9Å; C3-C147 PolarHBondContact O-SG 2.84Å; C3-C147 WeakPolarHBondContact SG-CA 3.23Å; C3-C147 WeakPolarHBondContact SG-CB 3Å; C3-C147 CovalentContact SG-SG 2.03Å; C3-C147 PolarHBondContact SG-SG 2.81Å; C147-T228 HydrophobicContact CB-CG2 4.47Å; C147-T228 WeakPolarHBondContact SG-CG2 3.19Å; C147-Y229 WeakPolarHBondContact CB-O 3.23Å; C147-Y229 PolarHBondContact N-O 3.29Å; C147-Y230 HydrophobicContact CB-CD1 3.46Å; C147-Y230 VanDerWaalsContact CB-CD1 3.46Å; C147-Y230 HydrophobicContact CB-CE1 3.55Å; C147-Y230 HydrophobicContact CB-CG 4.18Å; C147-Y230 WeakPolarHBondContact O-CA 3.47Å; C147-I231 PolarHBondContact O-N 3Å |
| 148 | L | 97.3 | Very high | 96.4 | Very high | 33 Ų | 33 | 47 Ų | 47 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 141.9 | 166.7 | -74 | 171.6 | 0 | 0 | 0 | 110.6 | L55 W57 Y230 I231 V255 L259 L262 | L55-L148 HydrophobicContact CD1-CD2 4.11Å; L55-L148 HydrophobicContact CD2-CD2 4.05Å; W57-L148 HydrophobicContact CE3-CD1 3.63Å; W57-L148 HydrophobicContact CZ3-CD1 3.56Å; L148-Y230 VanDerWaalsContact O-CD1 3.23Å; L148-Y230 WeakPolarHBondContact O-CD1 3.29Å; L148-I231 HydrophobicContact CD2-CG2 4.23Å; L148-V255 HydrophobicContact CD2-CG1 4.44Å; L148-L259 HydrophobicContact CD2-CD2 4.1Å; L148-L262 HydrophobicContact CD2-CD1 4.12Å |
| 149 | P | 96.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | trans | -71.4 | 179.5 | 175.7 | 33.9 | -36.8 | 0 | 0 | 0 | 111.1 | I231 V255 P256 L259 | P149-I231 WeakPolarHBondContact CD-O 3.24Å; P149-I231 VanDerWaalsContact CG-O 3.3Å; P149-I231 WeakPolarHBondContact CG-O 3.35Å; P149-V255 HydrophobicContact CG-CG1 4.02Å; P149-P256 HydrophobicContact CB-CG 3.97Å; P149-P256 HydrophobicContact CG-CB 4.34Å; P149-P256 HydrophobicContact CG-CG 3.69Å; P149-L259 HydrophobicContact CG-CD2 4.19Å; P149-L259 WeakPolarHBondContact O-CD1 3.05Å | ||
| 150 | S | 96.4 | Very high | 96.2 | Very high | 72 Ų | 72 | 46.1 Ų | 46.1 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | trans | -79 | 153.8 | 171.5 | -47.4 | 0 | 0 | 0 | 0 | 111.3 | N152 E153 L259 | S150-N152 PolarHBondContact O-N 2.97Å; S150-E153 PolarHBondContact N-OE2 2.85Å; S150-E153 VanDerWaalsContact O-CB 3.28Å; S150-E153 WeakPolarHBondContact O-CB 3.48Å; S150-E153 PolarHBondContact O-N 3.25Å; S150-E153 VanDerWaalsContact O-N 3.11Å; S150-L259 VanDerWaalsContact C-CD1 3.47Å | ||
| 151 | E | 96 | Very high | 96.2 | Very high | 85 Ų | 85 | 43.1 Ų | 43.1 | 40% | 0.397 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 130.9 | 178.7 | -161.7 | -161.3 | 150.8 | 0 | 0 | 110.2 | E153 L259 K260 | E151-E153 PolarHBondContact O-N 3.01Å; E151-L259 HydrophobicContact CB-CD1 4.22Å; E151-L259 HydrophobicContact CG-CB 4.32Å; E151-K260 WeakPolarHBondContact OE1-CD 3.25Å; E151-K260 WeakPolarHBondContact OE1-CE 3.21Å; E151-K260 IonicContact OE1-NZ 3.23Å; E151-K260 PolarHBondContact OE1-NZ 2.76Å; E151-K260 VanDerWaalsContact OE2-CE 3.28Å; E151-K260 WeakPolarHBondContact OE2-CE 3.46Å; E151-K260 IonicContact OE2-NZ 3.82Å; E151-K260 PolarHBondContact OE2-NZ 2.78Å |
| 152 | N | 94.6 | Very high | 96.1 | Very high | 84 Ų | 84 | 38.7 Ų | 38.7 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 19.1 | -178.9 | -55.4 | -57.5 | 0 | 0 | 0 | 114.9 | S150 T154 P256 | S150-N152 PolarHBondContact O-N 2.97Å; N152-T154 PolarHBondContact O-N 3.09Å; N152-P256 PolarHBondContact N-O 3.1Å |
| 153 | E | 96.4 | Very high | 96 | Very high | 37 Ų | 37 | 37 Ų | 37 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | trans | -52.3 | 134 | 172.5 | -171.7 | 170.1 | 177.3 | 0 | 0 | 110.7 | S150 E151 K225 Q232 P256 | S150-E153 PolarHBondContact N-OE2 2.85Å; S150-E153 VanDerWaalsContact O-CB 3.28Å; S150-E153 WeakPolarHBondContact O-CB 3.48Å; S150-E153 PolarHBondContact O-N 3.25Å; S150-E153 VanDerWaalsContact O-N 3.11Å; E151-E153 PolarHBondContact O-N 3.01Å; E153-K225 IonicContact OE1-NZ 3.18Å; E153-Q232 PolarHBondContact OE2-NE2 2.8Å; E153-P256 HydrophobicContact CB-CB 4.2Å; E153-P256 HydrophobicContact CB-CG 4.21Å; E153-P256 WeakPolarHBondContact O-CB 3.5Å | ||
| 154 | T | 95 | Very high | 95.9 | Very high | 103 Ų | 103 | 37.1 Ų | 37.1 | 63% | 0.632 | 22% | 0.224 | S | C | * | . | trans | -113.8 | 127.8 | 177 | 52.8 | 0 | 0 | 0 | 0 | 109.3 | N152 | N152-T154 PolarHBondContact O-N 3.09Š| ||
| 155 | L | 96.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 36.1 Ų | 36.1 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -77.9 | 148.4 | 168.8 | -57.4 | 179.6 | 0 | 0 | 0 | 109.3 | T159 V185 H187 I201 Q232 | L155-T159 HydrophobicContact CB-CG2 4.4Å; L155-T159 HydrophobicContact CD2-CG2 4.23Å; L155-V185 HydrophobicContact CB-CG1 4.33Å; L155-V185 HydrophobicContact CB-CG2 4.02Å; L155-V185 HydrophobicContact CD1-CG2 3.64Å; L155-H187 PolarHBondContact O-CE1 3.22Å; L155-H187 PolarHBondContact O-NE2 3.4Å; L155-I201 HydrophobicContact CD1-CD1 4.29Å; L155-Q232 HydrophobicContact CD1-CB 3.85Å; L155-Q232 HydrophobicContact CD1-CG 3.97Å; L155-Q232 HydrophobicContact CD2-CG 3.96Å; L155-Q232 HydrophobicContact CG-CG 4.33Å |
| 156 | S | 96.3 | Very high | 95.6 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 60% | 0.601 | 22% | 0.221 | S | C | * | . | P | Polyproline II helix | trans | -81.7 | 159.1 | 174 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | G158 T159 | S156-G158 PolarHBondContact O-N 2.88Å; S156-T159 PolarHBondContact N-OG1 2.82Å; S156-T159 VanDerWaalsContact N-OG1 3.09Å; S156-T159 VanDerWaalsContact O-CB 3.31Å; S156-T159 WeakPolarHBondContact O-CB 3.42Å; S156-T159 PolarHBondContact O-N 3.35Å; S156-T159 VanDerWaalsContact O-N 3.07Å; S156-T159 PolarHBondContact O-OG1 3.31Å |
| 157 | E | 94 | Very high | 95 | Very high | 93 Ų | 93 | 36.8 Ų | 36.8 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 135.9 | 169.9 | -177.5 | 67.7 | -171.3 | 0 | 0 | 110.3 | T159 H186 H187 | E157-T159 PolarHBondContact O-N 3.4Å; E157-H186 IonicContact OE1-CE1 3.36Å; E157-H186 IonicContact OE1-CG 3.64Å; E157-H186 IonicContact OE1-ND1 3.94Å; E157-H186 PolarHBondContact OE1-ND1 3.41Å; E157-H186 WeakPolarHBondContact OE2-CA 3.46Å; E157-H187 WeakPolarHBondContact OE2-CA 3.48Å; E157-H187 VanDerWaalsContact OE2-CB 3.22Å; E157-H187 WeakPolarHBondContact OE2-CB 3.25Å; E157-H187 IonicContact OE2-CG 3.96Å; E157-H187 PolarHBondContact OE2-N 3.22Å; E157-H187 IonicContact OE2-ND1 3.92Å |
| 158 | G | 92.3 | Very high | 94.1 | Very high | 34 Ų | 34 | 38 Ų | 38 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 5.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S156 A160 V185 | S156-G158 PolarHBondContact O-N 2.88Å; G158-A160 PolarHBondContact O-N 3.19Å; G158-V185 PolarHBondContact N-O 2.83Å |
| 159 | T | 95.2 | Very high | 92.4 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 24% | 0.239 | 23% | 0.232 | C | C | . | . | trans | -55.9 | 124.6 | 172.8 | -60.5 | 0 | 0 | 0 | 0 | 109.6 | L155 S156 E157 F184 V185 | L155-T159 HydrophobicContact CB-CG2 4.4Å; L155-T159 HydrophobicContact CD2-CG2 4.23Å; S156-T159 PolarHBondContact N-OG1 2.82Å; S156-T159 VanDerWaalsContact N-OG1 3.09Å; S156-T159 VanDerWaalsContact O-CB 3.31Å; S156-T159 WeakPolarHBondContact O-CB 3.42Å; S156-T159 PolarHBondContact O-N 3.35Å; S156-T159 VanDerWaalsContact O-N 3.07Å; S156-T159 PolarHBondContact O-OG1 3.31Å; E157-T159 PolarHBondContact O-N 3.4Å; T159-F184 WeakPolarHBondContact O-CA 3.4Å; T159-V185 PolarHBondContact O-N 2.8Å | ||
| 160 | A | 94 | Very high | 90.8 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 35% | 0.347 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G158 M182 F184 | G158-A160 PolarHBondContact O-N 3.19Å; A160-M182 HydrophobicContact CB-CE 4.35Å; A160-M182 HydrophobicContact CB-CG 4.34Å; A160-M182 HydrophobicContact CB-SD 3.83Å; A160-F184 HydrophobicContact CB-CD1 4.08Å; A160-F184 HydrophobicContact CB-CE1 3.87Å |
| 161 | C | 95.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 160.7 | 177.9 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | M182 V183 L221 A222 C223 | C161-M182 CarbonylContact O-C 3.59Å; C161-M182 WeakPolarHBondContact O-CA 3.48Å; C161-V183 HydrophobicContact CB-CG2 4.33Å; C161-V183 PolarHBondContact N-O 3.08Å; C161-V183 PolarHBondContact O-N 2.9Å; C161-V183 VanDerWaalsContact O-O 3.12Å; C161-L221 HydrophobicContact CB-CD1 3.58Å; C161-L221 HydrophobicContact CB-CG 3.99Å; C161-A222 CarbonylContact C-O 3.55Å; C161-A222 WeakPolarHBondContact CA-O 3.41Å; C161-C223 HydrophobicContact CB-CB 4.07Å; C161-C223 WeakPolarHBondContact CB-SG 3.39Å; C161-C223 WeakPolarHBondContact SG-CB 3.39Å; C161-C223 CovalentContact SG-SG 2.03Å; C161-C223 PolarHBondContact SG-SG 3.13Å |
| 162 | V | 94.9 | Very high | 87.4 | Confident | 5 Ų | 5 | 45.2 Ų | 45.2 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.9 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | V12 Y33 T164 Q180 I181 M182 A222 | V12-V162 HydrophobicContact CG1-CG2 4.43Å; V12-V162 HydrophobicContact CG2-CG2 4.35Å; Y33-V162 HydrophobicContact CE1-CB 4.4Å; Y33-V162 HydrophobicContact CE1-CG1 3.98Å; Y33-V162 WeakPolarHBondContact OH-CG1 3.37Å; V162-T164 HydrophobicContact CG1-CG2 3.92Å; V162-Q180 HydrophobicContact CG1-CB 4.18Å; V162-I181 WeakPolarHBondContact CA-O 3.46Å; V162-M182 HydrophobicContact CG2-CE 4.46Å; V162-M182 HydrophobicContact CG2-SD 3.89Å; V162-A222 PolarHBondContact N-O 3.04Å; V162-A222 PolarHBondContact O-N 2.87Å |
| 163 | V | 95 | Very high | 86.1 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 140.5 | 165.9 | -173 | 0 | 0 | 0 | 0 | 108.8 | Q180 I181 V183 P212 L221 V235 Y252 | V163-Q180 WeakPolarHBondContact O-CA 3.21Å; V163-I181 HydrophobicContact CB-CG2 4.41Å; V163-I181 PolarHBondContact N-O 2.91Å; V163-I181 PolarHBondContact O-N 2.6Å; V163-V183 HydrophobicContact CG2-CG1 4.3Å; V163-V183 HydrophobicContact CG2-CG2 3.8Å; V163-P212 HydrophobicContact CB-CG 4.36Å; V163-P212 HydrophobicContact CG1-CG 3.74Å; V163-L221 HydrophobicContact CG2-CD1 3.53Å; V163-V235 HydrophobicContact CG1-CG2 3.6Å; V163-Y252 HydrophobicContact CG1-CE1 4.44Å; V163-Y252 HydrophobicContact CG2-CE1 3.62Å; V163-Y252 WeakPolarHBondContact CG2-OH 3.3Å |
| 164 | T | 95.5 | Very high | 84.9 | Confident | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 151.6 | -178 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | Y33 Q36 V162 Q179 Q180 S219 | Y33-T164 HydrophobicContact CD1-CG2 3.92Å; Y33-T164 HydrophobicContact CD2-CG2 3.69Å; Y33-T164 HydrophobicContact CE1-CG2 4.03Å; Y33-T164 HydrophobicContact CE2-CG2 3.78Å; Y33-T164 HydrophobicContact CG-CG2 3.76Å; Q36-T164 PolarHBondContact OE1-O 3.4Å; Q36-T164 PolarHBondContact OE1-OG1 3.35Å; V162-T164 HydrophobicContact CG1-CG2 3.92Å; T164-Q179 WeakPolarHBondContact CA-O 3.13Å; T164-Q179 WeakPolarHBondContact CB-O 3.4Å; T164-Q180 HydrophobicContact CG2-CB 3.8Å; T164-S219 WeakPolarHBondContact O-CB 3.42Å; T164-S219 PolarHBondContact O-OG 2.93Å |
| 165 | G | 95.3 | Very high | 84.2 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | -179.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q179 D216 | G165-Q179 PolarHBondContact N-O 2.84Å; G165-Q179 VanDerWaalsContact N-O 3.1Å; G165-Q179 PolarHBondContact O-N 2.93Å; G165-D216 VanDerWaalsContact C-OD1 3.26Å; G165-D216 WeakPolarHBondContact CA-OD1 3.34Å |
| 166 | W | 94 | Very high | 83.9 | Confident | 10 Ų | 10 | 46 Ų | 46 | 4% | 0.038 | 28% | 0.276 | C | S | . | . | trans | -115.3 | 16.2 | -178.3 | -64.4 | -89.8 | 0 | 0 | 0 | 112 | Q36 V37 Y38 A96 H97 V99 S175 L178 D216 | Q36-W166 HydrophobicContact CB-CH2 4.44Å; Q36-W166 HydrophobicContact CG-CE3 4.4Å; Q36-W166 HydrophobicContact CG-CH2 3.37Å; Q36-W166 HydrophobicContact CG-CZ2 4.39Å; Q36-W166 HydrophobicContact CG-CZ3 3.37Å; V37-W166 WeakPolarHBondContact O-CZ3 3.21Å; Y38-W166 HydrophobicContact CD2-CB 4.39Å; Y38-W166 HydrophobicContact CD2-CD2 4.16Å; Y38-W166 AromaticContact CD2-CE3 3.88Å; Y38-W166 HydrophobicContact CD2-CE3 3.88Å; Y38-W166 HydrophobicContact CD2-CG 4.41Å; Y38-W166 HydrophobicContact CD2-CZ3 4.44Å; Y38-W166 HydrophobicContact CG-CE3 4.46Å; A96-W166 HydrophobicContact CB-CZ2 4.39Å; A96-W166 WeakPolarHBondContact O-CZ2 3.22Å; H97-W166 PolarHBondContact O-NE1 3.02Å; V99-W166 HydrophobicContact CG1-CD2 3.95Å; V99-W166 HydrophobicContact CG1-CG 3.99Å; V99-W166 HydrophobicContact CG1-CZ2 4.19Å; W166-S175 PolarHBondContact O-N 2.79Å; W166-L178 HydrophobicContact CD2-CD1 3.87Å; W166-L178 HydrophobicContact CE3-CD1 4.01Å; W166-L178 HydrophobicContact CH2-CD1 3.93Å; W166-L178 HydrophobicContact CZ2-CB 4.01Å; W166-L178 HydrophobicContact CZ2-CD1 3.74Å; W166-L178 HydrophobicContact CZ2-CG 4.31Å; W166-L178 HydrophobicContact CZ3-CD1 4.05Å; W166-L178 VanDerWaalsContact NE1-N 3.2Å; W166-D216 PolarHBondContact N-OD1 2.8Å | ||
| 167 | G | 86.2 | Confident | 83.7 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 4% | 0.041 | 27% | 0.267 | C | S | . | . | trans | -61.2 | 174.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I169 S175 K214 D216 | G167-I169 PolarHBondContact O-N 2.73Å; G167-S175 PolarHBondContact O-N 3.45Å; G167-K214 CarbonylContact C-O 3.6Å; G167-K214 WeakPolarHBondContact CA-O 3.19Å; G167-D216 WeakPolarHBondContact CA-OD1 3.44Å; G167-D216 PolarHBondContact N-OD1 3.44Å | ||
| 168 | D | 78.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 43 Ų | 43 | 17% | 0.166 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 130.6 | -176.3 | -63 | -16.4 | 0 | 0 | 0 | 111.5 | M173 R213 K214 | D168-M173 WeakPolarHBondContact CA-O 3.46Å; D168-R213 HydrophobicContact CB-CB 4.18Å; D168-R213 WeakPolarHBondContact O-CB 3.38Å; D168-R213 WeakPolarHBondContact O-CD 3.49Å; D168-R213 WeakPolarHBondContact O-CG 3.34Å; D168-K214 PolarHBondContact N-O 2.98Å |
| 169 | I | 63.1 | Low | 83.8 | Confident | 47 Ų | 47 | 42.3 Ų | 42.3 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -46 | -178.2 | 46.4 | 161.3 | 0 | 0 | 0 | 113.5 | I22 G167 M173 Q179 R213 | I22-I169 HydrophobicContact CG2-CG2 4.21Å; G167-I169 PolarHBondContact O-N 2.73Å; I169-M173 VanDerWaalsContact CG1-O 3.27Å; I169-M173 WeakPolarHBondContact CG1-O 3.43Å; I169-M173 PolarHBondContact N-O 3.26Å; I169-Q179 HydrophobicContact CG2-CG 4.02Å; I169-R213 VanDerWaalsContact O-CZ 3.24Å; I169-R213 PolarHBondContact O-NH1 2.97Å; I169-R213 PolarHBondContact O-NH2 3.43Å |
| 170 | E | 61.9 | Low | 83.6 | Confident | 102 Ų | 102 | 40.6 Ų | 40.6 | 48% | 0.477 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 142.7 | -179 | -157 | -178 | 158.1 | 0 | 0 | 107.3 | G172 M173 | E170-G172 PolarHBondContact O-N 2.89Å; E170-M173 PolarHBondContact O-N 2.81Å |
| 171 | L | 61.1 | Low | 83.4 | Confident | 154 Ų | 154 | 39.4 Ų | 39.4 | 81% | 0.806 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56 | 21.9 | 178.7 | -58.8 | 172.9 | 0 | 0 | 0 | 115.6 | M173 | L171-M173 VanDerWaalsContact C-N 3.27Å; L171-M173 PolarHBondContact O-N 3.24Å |
| 172 | G | 60.9 | Low | 83.2 | Confident | 47 Ų | 47 | 41.1 Ų | 41.1 | 49% | 0.485 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 17.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E170 | E170-G172 PolarHBondContact O-N 2.89Š|
| 173 | M | 67.4 | Low | 83 | Confident | 114 Ų | 114 | 40.9 Ų | 40.9 | 56% | 0.562 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.8 | 172.7 | -67.2 | -167.9 | -67 | 0 | 0 | 110.3 | D168 I169 E170 L171 | D168-M173 WeakPolarHBondContact CA-O 3.46Å; I169-M173 VanDerWaalsContact CG1-O 3.27Å; I169-M173 WeakPolarHBondContact CG1-O 3.43Å; I169-M173 PolarHBondContact N-O 3.26Å; E170-M173 PolarHBondContact O-N 2.81Å; L171-M173 VanDerWaalsContact C-N 3.27Å; L171-M173 PolarHBondContact O-N 3.24Å |
| 174 | P | 71.4 | Confident | 82.9 | Confident | 79 Ų | 79 | 43.4 Ų | 43.4 | 51% | 0.513 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 148.1 | 173.8 | -24.1 | 33.7 | 0 | 0 | 0 | 111.9 | ||
| 175 | S | 80.1 | Confident | 82.9 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -79.2 | 129.3 | 166.8 | -158.3 | 0 | 0 | 0 | 0 | 110.5 | W166 G167 R177 Q179 | W166-S175 PolarHBondContact O-N 2.79Å; G167-S175 PolarHBondContact O-N 3.45Å; S175-R177 WeakPolarHBondContact CB-O 3.45Å; S175-R177 PolarHBondContact O-N 3.34Å; S175-R177 PolarHBondContact OG-N 3.16Å; S175-R177 PolarHBondContact OG-O 3.45Å; S175-Q179 PolarHBondContact OG-NE2 2.76Å |
| 176 | N | 89.5 | Confident | 82.7 | Confident | 57 Ų | 57 | 44.1 Ų | 44.1 | 31% | 0.305 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -66.5 | -33.1 | 169.3 | -67.7 | -16.8 | 0 | 0 | 0 | 111.4 | D98 V99 Q100 | D98-N176 CarbonylContact C-O 3.48Å; D98-N176 WeakPolarHBondContact CA-O 3.44Å; V99-N176 WeakPolarHBondContact CG2-O 3.44Å; V99-N176 PolarHBondContact N-O 2.87Å; Q100-N176 HydrophobicContact CG-CB 4.38Å; Q100-N176 WeakPolarHBondContact CG-OD1 3.46Å; Q100-N176 PolarHBondContact NE2-OD1 3.33Å; Q100-N176 VanDerWaalsContact OE1-CG 3.31Å; Q100-N176 PolarHBondContact OE1-ND2 2.85Å; Q100-N176 PolarHBondContact OE1-OD1 3.01Å |
| 177 | R | 92.8 | Very high | 82.6 | Confident | 110 Ų | 110 | 48 Ų | 48 | 42% | 0.415 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -105.6 | 145.4 | -174.8 | -62.7 | -177.2 | -174.4 | 169.2 | 0.2 | 111.4 | E27 H97 D98 S175 Q179 | E27-R177 VanDerWaalsContact CD-CD 3.4Å; E27-R177 HydrophobicContact CG-CB 4.13Å; E27-R177 WeakPolarHBondContact OE1-CD 3.37Å; E27-R177 IonicContact OE1-NH1 2.75Å; E27-R177 VanDerWaalsContact OE2-CD 3.25Å; E27-R177 WeakPolarHBondContact OE2-CD 3.42Å; E27-R177 IonicContact OE2-CZ 3.67Å; E27-R177 IonicContact OE2-NH1 3.08Å; E27-R177 PolarHBondContact OE2-NH1 3.14Å; H97-R177 CarbonylContact O-C 3.52Å; H97-R177 VanDerWaalsContact O-CA 3.3Å; H97-R177 WeakPolarHBondContact O-CA 3.36Å; D98-R177 HydrophobicContact CB-CG 4.26Å; D98-R177 WeakPolarHBondContact OD2-CG 3.39Å; D98-R177 IonicContact OD2-NE 2.99Å; S175-R177 WeakPolarHBondContact CB-O 3.45Å; S175-R177 PolarHBondContact O-N 3.34Å; S175-R177 PolarHBondContact OG-N 3.16Å; S175-R177 PolarHBondContact OG-O 3.45Å; R177-Q179 PolarHBondContact O-N 2.94Å; R177-Q179 PolarHBondContact O-NE2 2.9Å |
| 178 | L | 94.3 | Very high | 82.6 | Confident | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | trans | -59 | 124.8 | -179 | -176 | 64.4 | 0 | 0 | 0 | 110.4 | A28 Y33 Q36 H97 W166 | A28-L178 HydrophobicContact CB-CB 4.17Å; A28-L178 HydrophobicContact CB-CD2 3.99Å; A28-L178 HydrophobicContact CB-CG 3.94Å; A28-L178 WeakPolarHBondContact CB-O 3.39Å; A28-L178 PolarHBondContact N-O 2.98Å; Y33-L178 HydrophobicContact CD2-CD2 4.35Å; Q36-L178 HydrophobicContact CB-CD2 4.36Å; Q36-L178 HydrophobicContact CG-CD1 3.79Å; Q36-L178 HydrophobicContact CG-CD2 4.22Å; H97-L178 PolarHBondContact O-N 3.37Å; W166-L178 HydrophobicContact CD2-CD1 3.87Å; W166-L178 HydrophobicContact CE3-CD1 4.01Å; W166-L178 HydrophobicContact CH2-CD1 3.93Å; W166-L178 HydrophobicContact CZ2-CB 4.01Å; W166-L178 HydrophobicContact CZ2-CD1 3.74Å; W166-L178 HydrophobicContact CZ2-CG 4.31Å; W166-L178 HydrophobicContact CZ3-CD1 4.05Å; W166-L178 VanDerWaalsContact NE1-N 3.2Å | ||
| 179 | Q | 92.9 | Very high | 82.9 | Confident | 19 Ų | 19 | 54.1 Ų | 54.1 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 157.5 | 174.1 | -56.7 | -54.9 | -49.8 | 0 | 0 | 110.4 | R26 T164 G165 I169 S175 R177 | R26-Q179 PolarHBondContact O-OE1 2.95Å; T164-Q179 WeakPolarHBondContact CA-O 3.13Å; T164-Q179 WeakPolarHBondContact CB-O 3.4Å; G165-Q179 PolarHBondContact N-O 2.84Å; G165-Q179 VanDerWaalsContact N-O 3.1Å; G165-Q179 PolarHBondContact O-N 2.93Å; I169-Q179 HydrophobicContact CG2-CG 4.02Å; S175-Q179 PolarHBondContact OG-NE2 2.76Å; R177-Q179 PolarHBondContact O-N 2.94Å; R177-Q179 PolarHBondContact O-NE2 2.9Å |
| 180 | Q | 92.1 | Very high | 84.1 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 146.2 | 175.4 | 53.8 | 169 | -18.4 | 0 | 0 | 110.8 | R26 E27 A28 Y33 V162 V163 T164 | R26-Q180 HydrophobicContact CG-CG 3.78Å; R26-Q180 PolarHBondContact N-O 2.83Å; R26-Q180 WeakPolarHBondContact O-CG 3.36Å; R26-Q180 PolarHBondContact O-N 3.1Å; E27-Q180 PolarHBondContact O-NE2 3.05Å; A28-Q180 HydrophobicContact CB-CB 4.39Å; A28-Q180 HydrophobicContact CB-CG 4.09Å; Y33-Q180 HydrophobicContact CE2-CB 4.09Å; Y33-Q180 HydrophobicContact CE2-CG 4.48Å; Y33-Q180 VanDerWaalsContact CE2-OE1 3.31Å; Y33-Q180 PolarHBondContact OH-OE1 3.04Å; V162-Q180 HydrophobicContact CG1-CB 4.18Å; V163-Q180 WeakPolarHBondContact O-CA 3.21Å; T164-Q180 HydrophobicContact CG2-CB 3.8Å |
| 181 | I | 89.3 | Confident | 85.3 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.087 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 142.1 | 172.9 | -167.6 | 169.9 | 0 | 0 | 0 | 110.6 | Y24 V162 V163 V183 T205 | Y24-I181 WeakPolarHBondContact O-CD1 3.37Å; V162-I181 WeakPolarHBondContact CA-O 3.46Å; V163-I181 HydrophobicContact CB-CG2 4.41Å; V163-I181 PolarHBondContact N-O 2.91Å; V163-I181 PolarHBondContact O-N 2.6Å; I181-V183 HydrophobicContact CG2-CG1 4.18Å; I181-T205 HydrophobicContact CD1-CG2 4.05Å |
| 182 | M | 91 | Very high | 86.6 | Confident | 38 Ų | 38 | 48.5 Ų | 48.5 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.5 | 170.8 | -170.2 | 75 | 87.2 | 0 | 0 | 109 | V12 N14 A160 C161 V162 F184 | V12-M182 HydrophobicContact CB-CE 4.47Å; V12-M182 HydrophobicContact CG1-CE 3.36Å; V12-M182 HydrophobicContact CG1-SD 4.46Å; N14-M182 WeakPolarHBondContact OD1-CE 3.3Å; A160-M182 HydrophobicContact CB-CE 4.35Å; A160-M182 HydrophobicContact CB-CG 4.34Å; A160-M182 HydrophobicContact CB-SD 3.83Å; C161-M182 CarbonylContact O-C 3.59Å; C161-M182 WeakPolarHBondContact O-CA 3.48Å; V162-M182 HydrophobicContact CG2-CE 4.46Å; V162-M182 HydrophobicContact CG2-SD 3.89Å; M182-F184 HydrophobicContact CG-CE1 4.41Å; M182-F184 HydrophobicContact CG-CE2 4.29Å; M182-F184 HydrophobicContact CG-CZ 3.96Å |
| 183 | V | 91.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 158.1 | 173.9 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | C161 V163 I181 A203 G204 L221 | C161-V183 HydrophobicContact CB-CG2 4.33Å; C161-V183 PolarHBondContact N-O 3.08Å; C161-V183 PolarHBondContact O-N 2.9Å; C161-V183 VanDerWaalsContact O-O 3.12Å; V163-V183 HydrophobicContact CG2-CG1 4.3Å; V163-V183 HydrophobicContact CG2-CG2 3.8Å; I181-V183 HydrophobicContact CG2-CG1 4.18Å; V183-A203 HydrophobicContact CB-CB 4.19Å; V183-A203 HydrophobicContact CG2-CB 3.88Å; V183-G204 WeakPolarHBondContact CA-O 3.37Å; V183-L221 HydrophobicContact CG2-CD1 3.39Å |
| 184 | F | 92.7 | Very high | 89 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 25% | 0.25 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 131.1 | -177.3 | -58.1 | -87.2 | 0 | 0 | 0 | 109.6 | T159 A160 M182 A203 G204 Y246 | T159-F184 WeakPolarHBondContact O-CA 3.4Å; A160-F184 HydrophobicContact CB-CD1 4.08Å; A160-F184 HydrophobicContact CB-CE1 3.87Å; M182-F184 HydrophobicContact CG-CE1 4.41Å; M182-F184 HydrophobicContact CG-CE2 4.29Å; M182-F184 HydrophobicContact CG-CZ 3.96Å; F184-A203 WeakPolarHBondContact O-CA 3.09Å; F184-A203 WeakPolarHBondContact O-CB 3.02Å; F184-G204 PolarHBondContact N-O 2.83Å; F184-G204 PolarHBondContact O-N 2.9Å; F184-Y246 HydrophobicContact CB-CE1 3.9Å; F184-Y246 WeakPolarHBondContact CB-OH 3.26Å; F184-Y246 HydrophobicContact CD2-CE1 4.34Å; F184-Y246 HydrophobicContact CG-CE1 4.45Å |
| 185 | V | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 137.5 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | L155 G158 T159 H187 I201 C202 | L155-V185 HydrophobicContact CB-CG1 4.33Å; L155-V185 HydrophobicContact CB-CG2 4.02Å; L155-V185 HydrophobicContact CD1-CG2 3.64Å; G158-V185 PolarHBondContact N-O 2.83Å; T159-V185 PolarHBondContact O-N 2.8Å; V185-H187 WeakPolarHBondContact CG1-NE2 3.25Å; V185-I201 HydrophobicContact CG1-CG2 4.4Å; V185-I201 HydrophobicContact CG2-CG2 4.22Å; V185-C202 WeakPolarHBondContact CA-O 3.3Å |
| 186 | H | 92.3 | Very high | 90.5 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 9% | 0.093 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.4 | 178.1 | -173.2 | 54.2 | 0 | 0 | 0 | 111.7 | E157 G188 C202 Y246 | E157-H186 IonicContact OE1-CE1 3.36Å; E157-H186 IonicContact OE1-CG 3.64Å; E157-H186 IonicContact OE1-ND1 3.94Å; E157-H186 PolarHBondContact OE1-ND1 3.41Å; E157-H186 WeakPolarHBondContact OE2-CA 3.46Å; H186-G188 PolarHBondContact CE1-N 2.91Å; H186-G188 WeakPolarHBondContact NE2-CA 3.39Å; H186-G188 PolarHBondContact NE2-N 3.12Å; H186-C202 PolarHBondContact N-O 2.91Å; H186-C202 WeakPolarHBondContact O-CB 3.27Å; H186-Y246 HydrophobicContact CB-CD2 3.93Å; H186-Y246 HydrophobicContact CB-CE2 3.76Å; H186-Y246 AromaticContact CG-CD2 3.94Å; H186-Y246 AromaticContact CG-CE2 3.88Å; H186-Y246 AromaticContact ND1-CE2 3.78Å |
| 187 | H | 90.7 | Very high | 90.5 | Very high | 91 Ų | 91 | 52.9 Ų | 52.9 | 42% | 0.421 | 26% | 0.255 | S | S | . | . | trans | -113.2 | 3.2 | -177.6 | -66.1 | 172.4 | 0 | 0 | 0 | 112.8 | L155 E157 V185 R197 | L155-H187 PolarHBondContact O-CE1 3.22Å; L155-H187 PolarHBondContact O-NE2 3.4Å; E157-H187 WeakPolarHBondContact OE2-CA 3.48Å; E157-H187 VanDerWaalsContact OE2-CB 3.22Å; E157-H187 WeakPolarHBondContact OE2-CB 3.25Å; E157-H187 IonicContact OE2-CG 3.96Å; E157-H187 PolarHBondContact OE2-N 3.22Å; E157-H187 IonicContact OE2-ND1 3.92Å; V185-H187 WeakPolarHBondContact CG1-NE2 3.25Å; H187-R197 PolarHBondContact O-NH2 2.91Å | ||
| 188 | G | 86.1 | Confident | 90.5 | Very high | 24 Ų | 24 | 49.9 Ų | 49.9 | 25% | 0.247 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -59 | -177.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H186 I190 R197 | H186-G188 PolarHBondContact CE1-N 2.91Å; H186-G188 WeakPolarHBondContact NE2-CA 3.39Å; H186-G188 PolarHBondContact NE2-N 3.12Å; G188-I190 PolarHBondContact O-N 3.31Å; G188-R197 PolarHBondContact O-NH2 2.89Å |
| 189 | N | 85.6 | Confident | 90.4 | Very high | 139 Ų | 139 | 51.7 Ų | 51.7 | 74% | 0.743 | 27% | 0.268 | S | S | * | . | trans | -73.6 | 96.1 | 178.3 | -169.7 | 27.1 | 0 | 0 | 0 | 110.3 | N191 | N189-N191 PolarHBondContact O-N 3.4Š| ||
| 190 | I | 88.3 | Confident | 90.5 | Very high | 15 Ų | 15 | 51.4 Ų | 51.4 | 8% | 0.077 | 27% | 0.267 | C | S | . | . | trans | -87.3 | 96.2 | 180 | -61.9 | 148 | 0 | 0 | 0 | 107.9 | G188 H192 F195 C202 M239 V242 | G188-I190 PolarHBondContact O-N 3.31Å; I190-H192 VanDerWaalsContact C-N 3.32Å; I190-H192 HydrophobicContact CG2-CB 4.24Å; I190-H192 PolarHBondContact O-N 2.98Å; I190-H192 VanDerWaalsContact O-N 3.1Å; I190-F195 HydrophobicContact CB-CD1 3.74Å; I190-F195 HydrophobicContact CB-CE1 3.99Å; I190-F195 HydrophobicContact CB-CG 4.24Å; I190-F195 HydrophobicContact CD1-CD1 4.03Å; I190-F195 HydrophobicContact CD1-CE1 3.4Å; I190-F195 HydrophobicContact CD1-CE2 4.15Å; I190-F195 HydrophobicContact CD1-CZ 3.48Å; I190-F195 VanDerWaalsContact CD1-CZ 3.48Å; I190-F195 HydrophobicContact CG1-CE1 4.33Å; I190-F195 HydrophobicContact CG2-CB 3.88Å; I190-F195 HydrophobicContact CG2-CD1 3.61Å; I190-F195 HydrophobicContact CG2-CD2 4.11Å; I190-F195 HydrophobicContact CG2-CE1 4.19Å; I190-F195 HydrophobicContact CG2-CG 3.57Å; I190-C202 HydrophobicContact CD1-CB 3.24Å; I190-C202 HydrophobicContact CG1-CB 4.21Å; I190-M239 HydrophobicContact CG2-CE 4.01Å; I190-M239 HydrophobicContact CG2-SD 3.6Å; I190-V242 HydrophobicContact CG2-CG1 4.24Å | ||
| 191 | N | 86.5 | Confident | 90.7 | Very high | 139 Ų | 139 | 52 Ų | 52 | 74% | 0.743 | 27% | 0.27 | S | S | * | . | trans | -84.6 | 74.6 | 177.5 | -169.6 | 25.3 | 0 | 0 | 0 | 110.6 | N189 | N189-N191 PolarHBondContact O-N 3.4Š| ||
| 192 | H | 88.9 | Confident | 91 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | trans | -131.4 | 129.1 | 174.5 | -173.1 | -78.8 | 0 | 0 | 0 | 109.8 | I190 N194 F195 F237 M239 V242 | I190-H192 VanDerWaalsContact C-N 3.32Å; I190-H192 HydrophobicContact CG2-CB 4.24Å; I190-H192 PolarHBondContact O-N 2.98Å; I190-H192 VanDerWaalsContact O-N 3.1Å; H192-N194 PolarHBondContact ND1-N 3.31Å; H192-N194 PolarHBondContact O-N 2.83Å; H192-N194 VanDerWaalsContact O-N 3.11Å; H192-F195 HydrophobicContact CB-CB 3.96Å; H192-F195 PolarHBondContact O-N 3.31Å; H192-F237 AromaticContact CE1-CE2 3.48Å; H192-F237 VanDerWaalsContact CE1-CE2 3.48Å; H192-F237 WeakPolarHBondContact CE1-CE2 2.97Å; H192-F237 AromaticContact ND1-CE2 3.65Å; H192-M239 HydrophobicContact CB-CG 4.5Å; H192-M239 HydrophobicContact CB-SD 4.09Å; H192-V242 HydrophobicContact CB-CG2 4.2Å | ||
| 193 | P | 88.1 | Confident | 91.1 | Very high | 89 Ų | 89 | 49.5 Ų | 49.5 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.1 | -170 | 21.3 | -33.5 | 0 | 0 | 0 | 113.8 | R196 | P193-R196 VanDerWaalsContact O-CZ 3.28Å; P193-R196 PolarHBondContact O-NH1 2.85Å; P193-R196 PolarHBondContact O-NH2 2.98Å |
| 194 | N | 89.8 | Confident | 91 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -5.1 | 179.7 | -60 | -21.9 | 0 | 0 | 0 | 113.8 | Y122 H192 M200 F237 | Y122-N194 PolarHBondContact O-ND2 3.26Å; Y122-N194 PolarHBondContact O-OD1 2.79Å; H192-N194 PolarHBondContact ND1-N 3.31Å; H192-N194 PolarHBondContact O-N 2.83Å; H192-N194 VanDerWaalsContact O-N 3.11Å; N194-M200 WeakPolarHBondContact O-CE 3.35Å; N194-F237 HydrophobicContact CB-CE2 4.3Å; N194-F237 HydrophobicContact CB-CZ 3.96Å |
| 195 | F | 91.6 | Very high | 90.7 | Very high | 16 Ų | 16 | 47 Ų | 47 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | trans | -79.8 | 132.7 | 178.4 | -174.9 | -97.1 | 0 | 0 | 0 | 110.4 | I190 H192 R197 M200 C202 M239 A251 | I190-F195 HydrophobicContact CB-CD1 3.74Å; I190-F195 HydrophobicContact CB-CE1 3.99Å; I190-F195 HydrophobicContact CB-CG 4.24Å; I190-F195 HydrophobicContact CD1-CD1 4.03Å; I190-F195 HydrophobicContact CD1-CE1 3.4Å; I190-F195 HydrophobicContact CD1-CE2 4.15Å; I190-F195 HydrophobicContact CD1-CZ 3.48Å; I190-F195 VanDerWaalsContact CD1-CZ 3.48Å; I190-F195 HydrophobicContact CG1-CE1 4.33Å; I190-F195 HydrophobicContact CG2-CB 3.88Å; I190-F195 HydrophobicContact CG2-CD1 3.61Å; I190-F195 HydrophobicContact CG2-CD2 4.11Å; I190-F195 HydrophobicContact CG2-CE1 4.19Å; I190-F195 HydrophobicContact CG2-CG 3.57Å; H192-F195 HydrophobicContact CB-CB 3.96Å; H192-F195 PolarHBondContact O-N 3.31Å; F195-R197 HydrophobicContact CE1-CB 3.99Å; F195-M200 HydrophobicContact CD2-CB 4Å; F195-M200 HydrophobicContact CD2-SD 4.03Å; F195-M200 HydrophobicContact CE2-CB 3.58Å; F195-M200 HydrophobicContact CZ-CB 4.17Å; F195-C202 HydrophobicContact CE2-CB 3.8Å; F195-C202 HydrophobicContact CZ-CB 3.89Å; F195-M239 HydrophobicContact CB-SD 4Å; F195-M239 HydrophobicContact CD2-CE 4.2Å; F195-M239 HydrophobicContact CD2-SD 3.65Å; F195-M239 HydrophobicContact CE2-CE 4.5Å; F195-M239 HydrophobicContact CE2-SD 4.49Å; F195-M239 HydrophobicContact CG-SD 4.05Å; F195-A251 HydrophobicContact CD2-CB 4.02Å; F195-A251 HydrophobicContact CE2-CB 4.41Å | ||
| 196 | R | 92.3 | Very high | 89.9 | Confident | 111 Ų | 111 | 53.9 Ų | 53.9 | 42% | 0.419 | 28% | 0.277 | S | S | . | . | trans | -130.3 | 103.9 | 178.1 | -63.1 | -67.4 | 176.8 | -100.7 | -3 | 109 | P193 G198 D199 M200 | P193-R196 VanDerWaalsContact O-CZ 3.28Å; P193-R196 PolarHBondContact O-NH1 2.85Å; P193-R196 PolarHBondContact O-NH2 2.98Å; R196-G198 PolarHBondContact O-N 2.98Å; R196-D199 PolarHBondContact O-N 3.11Å; R196-M200 WeakPolarHBondContact O-CB 3.13Å; R196-M200 PolarHBondContact O-N 3.21Å | ||
| 197 | R | 90.3 | Very high | 89.1 | Confident | 153 Ų | 153 | 56.1 Ų | 56.1 | 58% | 0.577 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -28.3 | -175.7 | -173.3 | 179.6 | -75.8 | 176.1 | -4.2 | 114 | H187 G188 F195 | H187-R197 PolarHBondContact O-NH2 2.91Å; G188-R197 PolarHBondContact O-NH2 2.89Å; F195-R197 HydrophobicContact CE1-CB 3.99Å |
| 198 | G | 91.4 | Very high | 88.4 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 49% | 0.485 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -33.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | R196 | R196-G198 PolarHBondContact O-N 2.98Š|
| 199 | D | 92.7 | Very high | 87.8 | Confident | 44 Ų | 44 | 60.9 Ų | 60.9 | 24% | 0.235 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -8.1 | -169.4 | -53.8 | -33.4 | 0 | 0 | 0 | 112.6 | R196 K254 | R196-D199 PolarHBondContact O-N 3.11Å; D199-K254 VanDerWaalsContact O-CB 3.3Å; D199-K254 WeakPolarHBondContact O-CB 3.37Å; D199-K254 PolarHBondContact O-N 2.81Å |
| 200 | M | 95.8 | Very high | 87.5 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 6% | 0.059 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.2 | -173.6 | -59 | 176.7 | -179.5 | 0 | 0 | 112.4 | R124 N194 F195 R196 F237 A251 Y252 | R124-M200 WeakPolarHBondContact O-CE 3.39Å; N194-M200 WeakPolarHBondContact O-CE 3.35Å; F195-M200 HydrophobicContact CD2-CB 4Å; F195-M200 HydrophobicContact CD2-SD 4.03Å; F195-M200 HydrophobicContact CE2-CB 3.58Å; F195-M200 HydrophobicContact CZ-CB 4.17Å; R196-M200 WeakPolarHBondContact O-CB 3.13Å; R196-M200 PolarHBondContact O-N 3.21Å; M200-F237 HydrophobicContact CE-CE1 3.82Å; M200-F237 HydrophobicContact CE-CZ 4.39Å; M200-F237 HydrophobicContact SD-CE1 3.78Å; M200-F237 HydrophobicContact SD-CZ 4Å; M200-A251 HydrophobicContact SD-CB 4.25Å; M200-Y252 CarbonylContact C-O 3.55Å; M200-Y252 WeakPolarHBondContact CA-O 3.45Å; M200-Y252 WeakPolarHBondContact CB-O 3.05Å |
| 201 | I | 96.1 | Very high | 87.3 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 135.8 | 165.8 | -63 | 166.5 | 0 | 0 | 0 | 107 | L155 V185 L221 Q232 Y252 K254 | L155-I201 HydrophobicContact CD1-CD1 4.29Å; V185-I201 HydrophobicContact CG1-CG2 4.4Å; V185-I201 HydrophobicContact CG2-CG2 4.22Å; I201-L221 HydrophobicContact CB-CD2 4.45Å; I201-L221 HydrophobicContact CD1-CD2 4.29Å; I201-L221 HydrophobicContact CG2-CD2 3.92Å; I201-Q232 HydrophobicContact CD1-CB 4.23Å; I201-Q232 WeakPolarHBondContact CD1-O 3.41Å; I201-Y252 PolarHBondContact N-O 3.14Å; I201-Y252 PolarHBondContact O-N 3.37Å; I201-K254 HydrophobicContact CD1-CB 4.4Å; I201-K254 HydrophobicContact CD1-CG 4.12Å; I201-K254 HydrophobicContact CG1-CB 4.02Å; I201-K254 HydrophobicContact CG1-CD 4.43Å; I201-K254 HydrophobicContact CG1-CG 3.92Å |
| 202 | C | 94.8 | Very high | 87.4 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 129.4 | 164.7 | 175.9 | 0 | 0 | 0 | 0 | 108.1 | V185 H186 I190 F195 M239 V250 | V185-C202 WeakPolarHBondContact CA-O 3.3Å; H186-C202 PolarHBondContact N-O 2.91Å; H186-C202 WeakPolarHBondContact O-CB 3.27Å; I190-C202 HydrophobicContact CD1-CB 3.24Å; I190-C202 HydrophobicContact CG1-CB 4.21Å; F195-C202 HydrophobicContact CE2-CB 3.8Å; F195-C202 HydrophobicContact CZ-CB 3.89Å; C202-M239 HydrophobicContact CB-CE 3.96Å; C202-M239 WeakPolarHBondContact SG-CE 3.06Å; C202-V250 WeakPolarHBondContact CA-O 3.49Å |
| 203 | A | 93.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 148.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V183 F184 L221 V250 Y252 | V183-A203 HydrophobicContact CB-CB 4.19Å; V183-A203 HydrophobicContact CG2-CB 3.88Å; F184-A203 WeakPolarHBondContact O-CA 3.09Å; F184-A203 WeakPolarHBondContact O-CB 3.02Å; A203-L221 HydrophobicContact CB-CD1 4.49Å; A203-V250 PolarHBondContact N-O 3.4Å; A203-V250 VanDerWaalsContact N-O 3.11Å; A203-V250 PolarHBondContact O-N 3.37Å; A203-Y252 HydrophobicContact CB-CD2 4.21Å; A203-Y252 HydrophobicContact CB-CE2 3.67Å |
| 204 | G | 90 | Very high | 87.3 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | -176.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V183 F184 E248 | V183-G204 WeakPolarHBondContact CA-O 3.37Å; F184-G204 PolarHBondContact N-O 2.83Å; F184-G204 PolarHBondContact O-N 2.9Å; G204-E248 WeakPolarHBondContact CA-O 3.46Å |
| 205 | T | 84.6 | Confident | 87.4 | Confident | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 154.6 | 179.6 | 165.1 | 0 | 0 | 0 | 0 | 109.2 | I181 M207 S210 L247 E248 | I181-T205 HydrophobicContact CD1-CG2 4.05Å; T205-M207 PolarHBondContact OG1-N 3.21Å; T205-M207 VanDerWaalsContact OG1-N 3.14Å; T205-S210 WeakPolarHBondContact CG2-OG 3.47Å; T205-L247 PolarHBondContact O-N 3.32Å; T205-E248 HydrophobicContact CG2-CB 3.95Å |
| 206 | K | 78.7 | Confident | 87.5 | Confident | 143 Ų | 143 | 52 Ų | 52 | 62% | 0.622 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -83.7 | 0.4 | 176.2 | -63.8 | -174.1 | 176.7 | -176.9 | 0 | 112.3 | Y246 L247 | K206-Y246 HydrophobicContact CG-CD1 3.7Å; K206-Y246 HydrophobicContact CG-CE1 3.92Å; K206-L247 WeakPolarHBondContact O-CD1 3.34Å |
| 207 | M | 75.8 | Confident | 87.7 | Confident | 68 Ų | 68 | 47.7 Ų | 47.7 | 34% | 0.335 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -93.3 | 132.4 | -178.9 | -60.3 | 174.5 | 68 | 0 | 0 | 109.4 | Y24 T205 S210 | Y24-M207 HydrophobicContact CD1-CE 3.36Å; Y24-M207 HydrophobicContact CE1-CE 4.25Å; Y24-M207 HydrophobicContact CG-CE 3.93Å; T205-M207 PolarHBondContact OG1-N 3.21Å; T205-M207 VanDerWaalsContact OG1-N 3.14Å; M207-S210 WeakPolarHBondContact CB-OG 3.46Å; M207-S210 PolarHBondContact O-OG 2.9Å |
| 208 | E | 74.8 | Confident | 88.1 | Confident | 139 Ų | 139 | 40.4 Ų | 40.4 | 65% | 0.65 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | 151.6 | 174.7 | -67.6 | -175.5 | 169.9 | 0 | 0 | 111.2 | Y24 S210 L247 | Y24-E208 WeakPolarHBondContact CD2-O 3.46Å; Y24-E208 WeakPolarHBondContact CE2-O 3.19Å; E208-S210 PolarHBondContact O-N 3.46Å; E208-S210 VanDerWaalsContact O-N 3.1Å; E208-L247 HydrophobicContact CB-CD1 4.36Å; E208-L247 HydrophobicContact CG-CD1 3.3Å; E208-L247 HydrophobicContact CG-CG 4.37Å |
| 209 | D | 74.7 | Confident | 88.4 | Confident | 76 Ų | 76 | 38.1 Ų | 38.1 | 41% | 0.406 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 35.2 | 173.9 | -163 | 42.5 | 0 | 0 | 0 | 114.1 | Y24 R213 E248 | Y24-D209 HydrophobicContact CD2-CB 4.47Å; Y24-D209 HydrophobicContact CE2-CB 4.47Å; D209-R213 PolarHBondContact O-NH2 3.45Å; D209-R213 IonicContact OD1-CZ 3.71Å; D209-R213 IonicContact OD1-NH2 3.93Å; D209-R213 PolarHBondContact OD1-NH2 3.03Å; D209-R213 IonicContact OD2-CZ 2.88Å; D209-R213 IonicContact OD2-NH2 3.85Å; D209-R213 PolarHBondContact OD2-NH2 2.83Å; D209-E248 PolarHBondContact N-OE1 2.97Å |
| 210 | S | 78.9 | Confident | 88.7 | Confident | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -127 | 156.8 | -172.9 | 75.3 | 0 | 0 | 0 | 0 | 112.3 | T205 M207 E208 E248 | T205-S210 WeakPolarHBondContact CG2-OG 3.47Å; M207-S210 WeakPolarHBondContact CB-OG 3.46Å; M207-S210 PolarHBondContact O-OG 2.9Å; E208-S210 PolarHBondContact O-N 3.46Å; E208-S210 VanDerWaalsContact O-N 3.1Å; S210-E248 WeakPolarHBondContact O-CB 3.38Å; S210-E248 WeakPolarHBondContact O-CG 3.27Å | ||
| 211 | G | 84.1 | Confident | 88.8 | Confident | 17 Ų | 17 | 35.5 Ų | 35.5 | 18% | 0.175 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 102.6 | -176.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 212 | P | 88.2 | Confident | 88.9 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 8% | 0.078 | 17% | 0.171 | C | C | . | . | trans | -57.3 | 136 | -173.1 | -28 | 35.1 | 0 | 0 | 0 | 114.1 | V163 D216 V235 V250 | V163-P212 HydrophobicContact CB-CG 4.36Å; V163-P212 HydrophobicContact CG1-CG 3.74Å; P212-D216 WeakPolarHBondContact CA-OD2 3.17Å; P212-D216 HydrophobicContact CB-CB 3.92Å; P212-V235 HydrophobicContact CB-CG1 3.77Å; P212-V235 HydrophobicContact CB-CG2 4.13Å; P212-V235 HydrophobicContact CG-CG1 4.43Å; P212-V235 HydrophobicContact CG-CG2 4.02Å; P212-V250 HydrophobicContact CB-CG2 4.39Å; P212-V250 HydrophobicContact CG-CG1 4.46Å; P212-V250 HydrophobicContact CG-CG2 4.18Å | ||
| 213 | R | 87.5 | Confident | 89 | Confident | 55 Ų | 55 | 35.1 Ų | 35.1 | 21% | 0.208 | 17% | 0.173 | C | C | . | . | trans | -126.1 | -168.4 | 176.2 | -56.5 | -153.9 | -169.6 | 155 | -3.3 | 111.6 | D168 I169 D209 G215 D216 | D168-R213 HydrophobicContact CB-CB 4.18Å; D168-R213 WeakPolarHBondContact O-CB 3.38Å; D168-R213 WeakPolarHBondContact O-CD 3.49Å; D168-R213 WeakPolarHBondContact O-CG 3.34Å; I169-R213 VanDerWaalsContact O-CZ 3.24Å; I169-R213 PolarHBondContact O-NH1 2.97Å; I169-R213 PolarHBondContact O-NH2 3.43Å; D209-R213 PolarHBondContact O-NH2 3.45Å; D209-R213 IonicContact OD1-CZ 3.71Å; D209-R213 IonicContact OD1-NH2 3.93Å; D209-R213 PolarHBondContact OD1-NH2 3.03Å; D209-R213 IonicContact OD2-CZ 2.88Å; D209-R213 IonicContact OD2-NH2 3.85Å; D209-R213 PolarHBondContact OD2-NH2 2.83Å; R213-G215 PolarHBondContact O-N 2.96Å; R213-D216 PolarHBondContact N-OD2 3.47Å; R213-D216 WeakPolarHBondContact O-CB 3.36Å; R213-D216 PolarHBondContact O-N 2.97Å | ||
| 214 | K | 87.1 | Confident | 89.1 | Confident | 161 Ų | 161 | 39 Ų | 39 | 70% | 0.7 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 130.6 | 175.4 | -176.4 | -177.2 | 179.4 | -176 | 0 | 108.9 | G167 D168 | G167-K214 CarbonylContact C-O 3.6Å; G167-K214 WeakPolarHBondContact CA-O 3.19Å; D168-K214 PolarHBondContact N-O 2.98Å |
| 215 | G | 91.5 | Very high | 89.3 | Confident | 10 Ų | 10 | 44 Ų | 44 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -20.8 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | T49 C50 G51 R213 | T49-G215 WeakPolarHBondContact O-CA 3.34Å; C50-G215 CarbonylContact C-O 3.57Å; C50-G215 WeakPolarHBondContact CA-O 3.33Å; G51-G215 PolarHBondContact N-O 3.05Å; R213-G215 PolarHBondContact O-N 2.96Å |
| 216 | D | 95.3 | Very high | 89.7 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 8% | 0.08 | 25% | 0.247 | C | C | . | . | trans | -86.9 | -8.3 | 177.1 | -63.8 | -43.4 | 0 | 0 | 0 | 113.4 | G165 W166 G167 P212 R213 G218 S219 V235 | G165-D216 VanDerWaalsContact C-OD1 3.26Å; G165-D216 WeakPolarHBondContact CA-OD1 3.34Å; W166-D216 PolarHBondContact N-OD1 2.8Å; G167-D216 WeakPolarHBondContact CA-OD1 3.44Å; G167-D216 PolarHBondContact N-OD1 3.44Å; P212-D216 WeakPolarHBondContact CA-OD2 3.17Å; P212-D216 HydrophobicContact CB-CB 3.92Å; R213-D216 PolarHBondContact N-OD2 3.47Å; R213-D216 WeakPolarHBondContact O-CB 3.36Å; R213-D216 PolarHBondContact O-N 2.97Å; D216-G218 PolarHBondContact O-N 2.92Å; D216-S219 WeakPolarHBondContact O-CB 3.42Å; D216-S219 PolarHBondContact O-N 2.99Å; D216-S219 PolarHBondContact O-OG 3.14Å; D216-V235 HydrophobicContact CB-CG1 4.44Å; D216-V235 VanDerWaalsContact O-CB 3.27Å; D216-V235 WeakPolarHBondContact O-CB 2.95Å | ||
| 217 | S | 96 | Very high | 90.4 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | 135.3 | 176.2 | -72.7 | 0 | 0 | 0 | 0 | 112.1 | C50 G51 H71 C72 S219 | C50-S217 WeakPolarHBondContact CB-O 3.29Å; G51-S217 PolarHBondContact N-O 3.23Å; H71-S217 PolarHBondContact CE1-OG 2.76Å; H71-S217 WeakPolarHBondContact NE2-CB 3.46Å; H71-S217 PolarHBondContact NE2-OG 2.92Å; C72-S217 PolarHBondContact SG-O 2.84Å; S217-S219 PolarHBondContact O-N 3.48Å |
| 218 | G | 97.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -10.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G51 G52 D216 V235 | G51-G218 CarbonylContact O-C 3.56Å; G52-G218 WeakPolarHBondContact CA-O 3.28Å; D216-G218 PolarHBondContact O-N 2.92Å; G218-V235 PolarHBondContact N-O 2.76Å |
| 219 | S | 98.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -61.5 | 153.4 | 174.3 | -82.3 | 0 | 0 | 0 | 0 | 112.8 | Q36 G51 T164 D216 S217 L234 V235 | Q36-S219 PolarHBondContact NE2-OG 3Å; G51-S219 WeakPolarHBondContact CA-OG 3.2Å; T164-S219 WeakPolarHBondContact O-CB 3.42Å; T164-S219 PolarHBondContact O-OG 2.93Å; D216-S219 WeakPolarHBondContact O-CB 3.42Å; D216-S219 PolarHBondContact O-N 2.99Å; D216-S219 PolarHBondContact O-OG 3.14Å; S217-S219 PolarHBondContact O-N 3.48Å; S219-L234 CarbonylContact O-C 3.6Å; S219-L234 WeakPolarHBondContact O-CA 3.37Å; S219-V235 PolarHBondContact O-N 2.03Å | ||
| 220 | P | 98.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 139.3 | -178.8 | 27.8 | -32.9 | 0 | 0 | 0 | 113 | S53 A222 I231 | S53-P220 VanDerWaalsContact OG-CB 3.25Å; S53-P220 WeakPolarHBondContact OG-CB 3.1Å; S53-P220 WeakPolarHBondContact OG-CD 2.9Å; S53-P220 VanDerWaalsContact OG-CG 3.24Å; S53-P220 WeakPolarHBondContact OG-CG 3.25Å; P220-A222 HydrophobicContact CB-CB 4.48Å; P220-I231 HydrophobicContact CB-CD1 3.89Å; P220-I231 HydrophobicContact CB-CG1 4.06Å |
| 221 | L | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 97.9 | 149.3 | -178.9 | 71 | 0 | 0 | 0 | 107.6 | C161 V163 V183 I201 A203 Q232 G233 Y252 | C161-L221 HydrophobicContact CB-CD1 3.58Å; C161-L221 HydrophobicContact CB-CG 3.99Å; V163-L221 HydrophobicContact CG2-CD1 3.53Å; V183-L221 HydrophobicContact CG2-CD1 3.39Å; I201-L221 HydrophobicContact CB-CD2 4.45Å; I201-L221 HydrophobicContact CD1-CD2 4.29Å; I201-L221 HydrophobicContact CG2-CD2 3.92Å; A203-L221 HydrophobicContact CB-CD1 4.49Å; L221-Q232 PolarHBondContact O-N 2.75Å; L221-G233 PolarHBondContact N-O 2.99Å; L221-G233 PolarHBondContact O-N 3.36Å; L221-Y252 HydrophobicContact CB-CD1 3.69Å; L221-Y252 HydrophobicContact CB-CE1 4.04Å; L221-Y252 HydrophobicContact CB-CG 4.24Å; L221-Y252 HydrophobicContact CD1-CD1 4.35Å; L221-Y252 HydrophobicContact CD1-CE1 4.01Å; L221-Y252 HydrophobicContact CD1-CE2 4.5Å; L221-Y252 HydrophobicContact CD2-CD1 4.21Å; L221-Y252 HydrophobicContact CD2-CD2 4.14Å; L221-Y252 HydrophobicContact CD2-CG 3.95Å; L221-Y252 HydrophobicContact CG-CD1 4.31Å; L221-Y252 HydrophobicContact CG-CE1 4.45Å |
| 222 | A | 98.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W35 I146 C161 V162 P220 Y229 Y230 | W35-A222 HydrophobicContact CZ2-CB 4.37Å; I146-A222 HydrophobicContact CD1-CB 3.76Å; C161-A222 CarbonylContact C-O 3.55Å; C161-A222 WeakPolarHBondContact CA-O 3.41Å; V162-A222 PolarHBondContact N-O 3.04Å; V162-A222 PolarHBondContact O-N 2.87Å; P220-A222 HydrophobicContact CB-CB 4.48Å; A222-Y229 HydrophobicContact CB-CD1 4.09Å; A222-Y230 WeakPolarHBondContact CA-O 3.41Å |
| 223 | C | 97.5 | Very high | 95.7 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 5% | 0.054 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.4 | 179.5 | -47.4 | 0 | 0 | 0 | 0 | 109.9 | C161 Y230 Q232 | C161-C223 HydrophobicContact CB-CB 4.07Å; C161-C223 WeakPolarHBondContact CB-SG 3.39Å; C161-C223 WeakPolarHBondContact SG-CB 3.39Å; C161-C223 CovalentContact SG-SG 2.03Å; C161-C223 PolarHBondContact SG-SG 3.13Å; C223-Y230 PolarHBondContact N-O 3.07Å; C223-Y230 PolarHBondContact O-N 2.96Å; C223-Q232 HydrophobicContact CB-CG 3.86Å; C223-Q232 WeakPolarHBondContact SG-CG 3.46Å |
| 224 | K | 95.7 | Very high | 96.2 | Very high | 83 Ų | 83 | 36 Ų | 36 | 36% | 0.361 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 122.2 | -177 | -163 | 174.9 | -167.1 | 160.3 | 0 | 110 | E9 T228 Y229 | E9-K224 IonicContact OE2-NZ 2.71Å; E9-K224 PolarHBondContact OE2-NZ 3.35Å; K224-T228 CarbonylContact C-O 3.54Å; K224-T228 WeakPolarHBondContact CA-O 3.39Å; K224-Y229 HydrophobicContact CB-CD1 4.11Å; K224-Y229 HydrophobicContact CB-CE1 3.93Å; K224-Y229 HydrophobicContact CD-CD2 4.44Å; K224-Y229 HydrophobicContact CD-CE1 4.32Å; K224-Y229 HydrophobicContact CD-CE2 3.74Å; K224-Y229 HydrophobicContact CG-CD2 4.27Å; K224-Y229 HydrophobicContact CG-CE1 4.32Å; K224-Y229 HydrophobicContact CG-CE2 4.05Å |
| 225 | K | 94.5 | Very high | 96.7 | Very high | 104 Ų | 104 | 28.6 Ų | 28.6 | 45% | 0.452 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123.6 | 172.7 | -178 | -179 | -176.4 | 177.7 | 0 | 108.7 | E153 N227 T228 Y230 | E153-K225 IonicContact OE1-NZ 3.18Å; K225-N227 VanDerWaalsContact C-N 3.34Å; K225-N227 PolarHBondContact O-N 2.96Å; K225-T228 PolarHBondContact N-O 3.08Å; K225-T228 PolarHBondContact O-N 3.08Å; K225-T228 VanDerWaalsContact O-O 3.13Å; K225-Y230 HydrophobicContact CB-CD2 4.09Å; K225-Y230 HydrophobicContact CB-CE2 4Å |
| 226 | N | 92.5 | Very high | 96.8 | Very high | 145 Ų | 145 | 28.2 Ų | 28.2 | 78% | 0.775 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 53.6 | 179.3 | -59 | -20.1 | 0 | 0 | 0 | 112.8 | T228 | N226-T228 PolarHBondContact O-N 2.97Å; N226-T228 VanDerWaalsContact O-N 3.14Å; N226-T228 PolarHBondContact O-OG1 3.1Å |
| 227 | N | 92.4 | Very high | 96.7 | Very high | 119 Ų | 119 | 28 Ų | 28 | 64% | 0.636 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 17 | -177.3 | -66.8 | -24.9 | 0 | 0 | 0 | 116.7 | K225 | K225-N227 VanDerWaalsContact C-N 3.34Å; K225-N227 PolarHBondContact O-N 2.96Å |
| 228 | T | 96.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 133.4 | 178.8 | -48.9 | 0 | 0 | 0 | 0 | 109.8 | K5 C147 K224 K225 N226 Y230 | K5-T228 WeakPolarHBondContact CE-OG1 3.48Å; K5-T228 HydrophobicContact CG-CG2 4.32Å; C147-T228 HydrophobicContact CB-CG2 4.47Å; C147-T228 WeakPolarHBondContact SG-CG2 3.19Å; K224-T228 CarbonylContact C-O 3.54Å; K224-T228 WeakPolarHBondContact CA-O 3.39Å; K225-T228 PolarHBondContact N-O 3.08Å; K225-T228 PolarHBondContact O-N 3.08Å; K225-T228 VanDerWaalsContact O-O 3.13Å; N226-T228 PolarHBondContact O-N 2.97Å; N226-T228 VanDerWaalsContact O-N 3.14Å; N226-T228 PolarHBondContact O-OG1 3.1Å; T228-Y230 HydrophobicContact CG2-CD2 4.48Å; T228-Y230 HydrophobicContact CG2-CE2 3.79Å; T228-Y230 WeakPolarHBondContact O-CD2 3.41Å |
| 229 | Y | 98.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 33 Ų | 33 | 4% | 0.043 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131.5 | 176.9 | -72.8 | -93.7 | 0 | 0 | 0 | 111.1 | G4 P6 P10 W35 I146 C147 A222 K224 | G4-Y229 WeakPolarHBondContact O-CD2 3.42Å; G4-Y229 PolarHBondContact O-N 2.97Å; P6-Y229 HydrophobicContact CG-CE2 4.43Å; P10-Y229 HydrophobicContact CG-CE2 4.39Å; W35-Y229 VanDerWaalsContact CH2-CB 3.47Å; W35-Y229 HydrophobicContact CH2-CD1 4.19Å; W35-Y229 AromaticContact CH2-CD2 3.6Å; W35-Y229 HydrophobicContact CH2-CD2 3.6Å; W35-Y229 HydrophobicContact CH2-CE2 4.35Å; W35-Y229 AromaticContact CH2-CG 3.5Å; W35-Y229 HydrophobicContact CH2-CG 3.5Å; W35-Y229 VanDerWaalsContact CH2-CG 3.5Å; W35-Y229 HydrophobicContact CZ2-CD1 4.14Å; W35-Y229 HydrophobicContact CZ2-CD2 4.35Å; W35-Y229 AromaticContact CZ2-CG 3.85Å; W35-Y229 HydrophobicContact CZ2-CG 3.85Å; W35-Y229 HydrophobicContact CZ3-CD2 4.48Å; I146-Y229 WeakPolarHBondContact CG1-O 3.44Å; C147-Y229 WeakPolarHBondContact CB-O 3.23Å; C147-Y229 PolarHBondContact N-O 3.29Å; A222-Y229 HydrophobicContact CB-CD1 4.09Å; K224-Y229 HydrophobicContact CB-CD1 4.11Å; K224-Y229 HydrophobicContact CB-CE1 3.93Å; K224-Y229 HydrophobicContact CD-CD2 4.44Å; K224-Y229 HydrophobicContact CD-CE1 4.32Å; K224-Y229 HydrophobicContact CD-CE2 3.74Å; K224-Y229 HydrophobicContact CG-CD2 4.27Å; K224-Y229 HydrophobicContact CG-CE1 4.32Å; K224-Y229 HydrophobicContact CG-CE2 4.05Å |
| 230 | Y | 98.4 | Very high | 95.1 | Very high | 62 Ų | 62 | 36.8 Ų | 36.8 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.4 | 176.8 | -65 | -92.9 | 0 | 0 | 0 | 109.7 | C147 L148 A222 C223 K225 T228 Q232 | C147-Y230 HydrophobicContact CB-CD1 3.46Å; C147-Y230 VanDerWaalsContact CB-CD1 3.46Å; C147-Y230 HydrophobicContact CB-CE1 3.55Å; C147-Y230 HydrophobicContact CB-CG 4.18Å; C147-Y230 WeakPolarHBondContact O-CA 3.47Å; L148-Y230 VanDerWaalsContact O-CD1 3.23Å; L148-Y230 WeakPolarHBondContact O-CD1 3.29Å; A222-Y230 WeakPolarHBondContact CA-O 3.41Å; C223-Y230 PolarHBondContact N-O 3.07Å; C223-Y230 PolarHBondContact O-N 2.96Å; K225-Y230 HydrophobicContact CB-CD2 4.09Å; K225-Y230 HydrophobicContact CB-CE2 4Å; T228-Y230 HydrophobicContact CG2-CD2 4.48Å; T228-Y230 HydrophobicContact CG2-CE2 3.79Å; T228-Y230 WeakPolarHBondContact O-CD2 3.41Å; Y230-Q232 PolarHBondContact O-N 2.56Å |
| 231 | I | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 105.7 | 175 | -169.8 | 165.4 | 0 | 0 | 0 | 109.8 | L55 L67 I146 C147 L148 P149 P220 L234 V255 | L55-I231 HydrophobicContact CD2-CD1 4.37Å; L55-I231 HydrophobicContact CD2-CG2 3.9Å; L67-I231 HydrophobicContact CD2-CD1 4.13Å; I146-I231 HydrophobicContact CD1-CB 3.84Å; I146-I231 HydrophobicContact CG1-CB 4.14Å; I146-I231 HydrophobicContact CG2-CB 3.84Å; I146-I231 HydrophobicContact CG2-CD1 4.24Å; I146-I231 HydrophobicContact CG2-CG2 3.93Å; C147-I231 PolarHBondContact O-N 3Å; L148-I231 HydrophobicContact CD2-CG2 4.23Å; P149-I231 WeakPolarHBondContact CD-O 3.24Å; P149-I231 VanDerWaalsContact CG-O 3.3Å; P149-I231 WeakPolarHBondContact CG-O 3.35Å; P220-I231 HydrophobicContact CB-CD1 3.89Å; P220-I231 HydrophobicContact CB-CG1 4.06Å; I231-L234 HydrophobicContact CD1-CD2 3.71Å; I231-L234 HydrophobicContact CG1-CD2 4.39Å; I231-V255 HydrophobicContact CG1-CG2 4.4Å; I231-V255 HydrophobicContact CG2-CG1 4.33Å |
| 232 | Q | 98.5 | Very high | 92.4 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.019 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -25 | -177.9 | -67.8 | -70.3 | -7.4 | 0 | 0 | 112 | E153 L155 I201 L221 C223 Y230 V255 P256 | E153-Q232 PolarHBondContact OE2-NE2 2.8Å; L155-Q232 HydrophobicContact CD1-CB 3.85Å; L155-Q232 HydrophobicContact CD1-CG 3.97Å; L155-Q232 HydrophobicContact CD2-CG 3.96Å; L155-Q232 HydrophobicContact CG-CG 4.33Å; I201-Q232 HydrophobicContact CD1-CB 4.23Å; I201-Q232 WeakPolarHBondContact CD1-O 3.41Å; L221-Q232 PolarHBondContact O-N 2.75Å; C223-Q232 HydrophobicContact CB-CG 3.86Å; C223-Q232 WeakPolarHBondContact SG-CG 3.46Å; Y230-Q232 PolarHBondContact O-N 2.56Å; Q232-V255 PolarHBondContact O-N 2.85Å; Q232-P256 VanDerWaalsContact O-CD 3.25Å; Q232-P256 WeakPolarHBondContact O-CD 3.37Å |
| 233 | G | 98.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 176.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L221 V253 | L221-G233 PolarHBondContact N-O 2.99Å; L221-G233 PolarHBondContact O-N 3.36Å; G233-V253 CarbonylContact C-O 3.59Å; G233-V253 WeakPolarHBondContact CA-O 3.34Å |
| 234 | L | 98.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.5 | 176.3 | -53.1 | 171.3 | 0 | 0 | 0 | 108.5 | L67 T68 I128 S219 I231 S236 Y252 V253 V255 | L67-L234 HydrophobicContact CD1-CD1 4.33Å; L67-L234 HydrophobicContact CD2-CD1 4.06Å; L67-L234 HydrophobicContact CD2-CD2 3.9Å; L67-L234 HydrophobicContact CD2-CG 4.36Å; L67-L234 HydrophobicContact CG-CD1 3.82Å; L67-L234 HydrophobicContact CG-CD2 3.92Å; L67-L234 HydrophobicContact CG-CG 4.44Å; T68-L234 WeakPolarHBondContact O-CD1 3.38Å; I128-L234 HydrophobicContact CB-CD1 4.42Å; I128-L234 HydrophobicContact CD1-CD1 4.19Å; I128-L234 HydrophobicContact CG1-CD1 3.79Å; S219-L234 CarbonylContact O-C 3.6Å; S219-L234 WeakPolarHBondContact O-CA 3.37Å; I231-L234 HydrophobicContact CD1-CD2 3.71Å; I231-L234 HydrophobicContact CG1-CD2 4.39Å; L234-S236 PolarHBondContact O-N 3.46Å; L234-S236 VanDerWaalsContact O-N 3.12Å; L234-Y252 CarbonylContact O-C 3.48Å; L234-Y252 WeakPolarHBondContact O-CA 2.97Å; L234-Y252 WeakPolarHBondContact O-CB 3.33Å; L234-V253 HydrophobicContact CB-CB 4.17Å; L234-V253 HydrophobicContact CB-CG2 4.43Å; L234-V253 HydrophobicContact CD1-CB 4.41Å; L234-V253 HydrophobicContact CG-CB 4.47Å; L234-V253 PolarHBondContact N-O 3.24Å; L234-V253 PolarHBondContact O-N 2.78Å; L234-V255 HydrophobicContact CD1-CG2 4.42Å; L234-V255 HydrophobicContact CD2-CG2 4.36Å; L234-V255 HydrophobicContact CG-CG2 3.94Å |
| 235 | V | 96.8 | Very high | 87.7 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 119.5 | 174.5 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | V163 P212 D216 G218 S219 V250 Y252 | V163-V235 HydrophobicContact CG1-CG2 3.6Å; P212-V235 HydrophobicContact CB-CG1 3.77Å; P212-V235 HydrophobicContact CB-CG2 4.13Å; P212-V235 HydrophobicContact CG-CG1 4.43Å; P212-V235 HydrophobicContact CG-CG2 4.02Å; D216-V235 HydrophobicContact CB-CG1 4.44Å; D216-V235 VanDerWaalsContact O-CB 3.27Å; D216-V235 WeakPolarHBondContact O-CB 2.95Å; G218-V235 PolarHBondContact N-O 2.76Å; S219-V235 PolarHBondContact O-N 2.03Å; V235-V250 HydrophobicContact CG1-CG1 4.35Å; V235-Y252 HydrophobicContact CB-CE1 4.5Å; V235-Y252 HydrophobicContact CG2-CD1 4.06Å; V235-Y252 HydrophobicContact CG2-CE1 3.69Å |
| 236 | S | 95.3 | Very high | 86.5 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -60.2 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | H71 D127 L234 A251 | H71-S236 PolarHBondContact CE1-O 3.18Å; H71-S236 VanDerWaalsContact CE1-O 3.27Å; D127-S236 WeakPolarHBondContact OD2-CB 3.24Å; D127-S236 PolarHBondContact OD2-OG 2.83Å; L234-S236 PolarHBondContact O-N 3.46Å; L234-S236 VanDerWaalsContact O-N 3.12Å; S236-A251 WeakPolarHBondContact CB-O 3.37Å; S236-A251 PolarHBondContact N-O 3.36Å; S236-A251 VanDerWaalsContact N-O 3.08Å |
| 237 | F | 92.3 | Very high | 85.4 | Confident | 10 Ų | 10 | 45.8 Ų | 45.8 | 4% | 0.044 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 148.8 | 177.8 | 63 | -81.9 | 0 | 0 | 0 | 113.7 | R124 H192 N194 M200 M239 A251 | R124-F237 HydrophobicContact CB-CD1 4.26Å; R124-F237 HydrophobicContact CB-CE1 4.24Å; R124-F237 VanDerWaalsContact CD-CD1 3.45Å; R124-F237 HydrophobicContact CG-CD1 4.37Å; H192-F237 AromaticContact CE1-CE2 3.48Å; H192-F237 VanDerWaalsContact CE1-CE2 3.48Å; H192-F237 WeakPolarHBondContact CE1-CE2 2.97Å; H192-F237 AromaticContact ND1-CE2 3.65Å; N194-F237 HydrophobicContact CB-CE2 4.3Å; N194-F237 HydrophobicContact CB-CZ 3.96Å; M200-F237 HydrophobicContact CE-CE1 3.82Å; M200-F237 HydrophobicContact CE-CZ 4.39Å; M200-F237 HydrophobicContact SD-CE1 3.78Å; M200-F237 HydrophobicContact SD-CZ 4Å; F237-M239 HydrophobicContact CD2-CG 3.95Å; F237-M239 HydrophobicContact CE2-CG 3.56Å; F237-M239 HydrophobicContact CE2-SD 4.32Å; F237-M239 HydrophobicContact CZ-CG 4.44Å; F237-A251 HydrophobicContact CD1-CB 3.78Å; F237-A251 HydrophobicContact CD2-CB 4.15Å; F237-A251 HydrophobicContact CE1-CB 3.42Å; F237-A251 VanDerWaalsContact CE1-CB 3.42Å; F237-A251 HydrophobicContact CE2-CB 3.8Å; F237-A251 HydrophobicContact CG-CB 4.15Å; F237-A251 HydrophobicContact CZ-CB 3.42Å; F237-A251 VanDerWaalsContact CZ-CB 3.42Å; F237-A251 PolarHBondContact N-O 2.79Å; F237-A251 PolarHBondContact O-N 3.37Å |
| 238 | R | 89.1 | Confident | 84.7 | Confident | 119 Ų | 119 | 41 Ų | 41 | 45% | 0.449 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 134.4 | 168 | -172 | 173.4 | 173.2 | -140.6 | 3.4 | 109.9 | V240 E248 | R238-V240 HydrophobicContact CG-CG1 4.5Å; R238-E248 IonicContact CZ-OE1 3.68Å; R238-E248 IonicContact CZ-OE2 3.63Å; R238-E248 IonicContact NE-OE2 2.86Å; R238-E248 PolarHBondContact NE-OE2 3.03Å; R238-E248 IonicContact NH2-OE1 3.78Å; R238-E248 PolarHBondContact NH2-OE1 3.38Å; R238-E248 IonicContact NH2-OE2 2.87Å; R238-E248 PolarHBondContact NH2-OE2 3.1Å |
| 239 | M | 88.6 | Confident | 84.3 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 106.2 | 173 | -63.5 | -176 | -69.9 | 0 | 0 | 108.6 | I190 H192 F195 C202 F237 V242 N249 A251 | I190-M239 HydrophobicContact CG2-CE 4.01Å; I190-M239 HydrophobicContact CG2-SD 3.6Å; H192-M239 HydrophobicContact CB-CG 4.5Å; H192-M239 HydrophobicContact CB-SD 4.09Å; F195-M239 HydrophobicContact CB-SD 4Å; F195-M239 HydrophobicContact CD2-CE 4.2Å; F195-M239 HydrophobicContact CD2-SD 3.65Å; F195-M239 HydrophobicContact CE2-CE 4.5Å; F195-M239 HydrophobicContact CE2-SD 4.49Å; F195-M239 HydrophobicContact CG-SD 4.05Å; C202-M239 HydrophobicContact CB-CE 3.96Å; C202-M239 WeakPolarHBondContact SG-CE 3.06Å; F237-M239 HydrophobicContact CD2-CG 3.95Å; F237-M239 HydrophobicContact CE2-CG 3.56Å; F237-M239 HydrophobicContact CE2-SD 4.32Å; F237-M239 HydrophobicContact CZ-CG 4.44Å; M239-V242 HydrophobicContact CB-CG2 3.53Å; M239-N249 HydrophobicContact CB-CB 4.34Å; M239-N249 HydrophobicContact CE-CB 3.81Å; M239-N249 PolarHBondContact N-O 3.27Å; M239-A251 HydrophobicContact CE-CB 4.24Å; M239-A251 HydrophobicContact CG-CB 4.15Å; M239-A251 HydrophobicContact SD-CB 4.02Å |
| 240 | V | 79.9 | Confident | 84 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 49% | 0.491 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 153 | 174.8 | -63.4 | 0 | 0 | 0 | 0 | 110.2 | R238 V242 | R238-V240 HydrophobicContact CG-CG1 4.5Å; V240-V242 VanDerWaalsContact C-N 3.25Å; V240-V242 PolarHBondContact O-N 2.91Å |
| 241 | N | 69.8 | Low | 83.9 | Confident | 159 Ų | 159 | 37.1 Ų | 37.1 | 85% | 0.85 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 30 | 176.3 | -56.2 | -29.2 | 0 | 0 | 0 | 115 | ||
| 242 | V | 70.7 | Confident | 83.8 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 12% | 0.115 | 21% | 0.211 | C | C | . | . | trans | -93.5 | 121.3 | 173.3 | -169.5 | 0 | 0 | 0 | 0 | 109.9 | I190 H192 M239 V240 T244 | I190-V242 HydrophobicContact CG2-CG1 4.24Å; H192-V242 HydrophobicContact CB-CG2 4.2Å; M239-V242 HydrophobicContact CB-CG2 3.53Å; V240-V242 VanDerWaalsContact C-N 3.25Å; V240-V242 PolarHBondContact O-N 2.91Å; V242-T244 HydrophobicContact CB-CG2 4.26Å; V242-T244 HydrophobicContact CG1-CG2 3.48Å; V242-T244 VanDerWaalsContact CG1-CG2 3.48Å; V242-T244 PolarHBondContact O-N 2.96Å | ||
| 243 | C | 62 | Low | 83.7 | Confident | 130 Ų | 130 | 37.1 Ų | 37.1 | 88% | 0.878 | 21% | 0.211 | S | C | * | . | trans | -75.3 | 92 | 174.6 | -60 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 244 | T | 67.3 | Low | 83.6 | Confident | 30 Ų | 30 | 39 Ų | 39 | 18% | 0.184 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -129.6 | 173.8 | 171.8 | 80.1 | 0 | 0 | 0 | 0 | 110.4 | V242 Y246 N249 | V242-T244 HydrophobicContact CB-CG2 4.26Å; V242-T244 HydrophobicContact CG1-CG2 3.48Å; V242-T244 VanDerWaalsContact CG1-CG2 3.48Å; V242-T244 PolarHBondContact O-N 2.96Å; T244-Y246 PolarHBondContact O-N 3.2Å; T244-Y246 PolarHBondContact OG1-N 3.08Å; T244-Y246 PolarHBondContact OG1-O 3.04Å; T244-N249 PolarHBondContact OG1-ND2 2.84Å; T244-N249 PolarHBondContact OG1-OD1 2.83Å |
| 245 | A | 63.7 | Low | 83.6 | Confident | 78 Ų | 78 | 39 Ų | 39 | 65% | 0.645 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -69.7 | -6.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 246 | Y | 69.5 | Low | 83.7 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 9% | 0.086 | 22% | 0.218 | C | C | . | . | trans | -108 | 145.4 | 176.5 | -58.7 | -75.5 | 0 | 0 | 0 | 110.3 | F184 H186 K206 T244 N249 | F184-Y246 HydrophobicContact CB-CE1 3.9Å; F184-Y246 WeakPolarHBondContact CB-OH 3.26Å; F184-Y246 HydrophobicContact CD2-CE1 4.34Å; F184-Y246 HydrophobicContact CG-CE1 4.45Å; H186-Y246 HydrophobicContact CB-CD2 3.93Å; H186-Y246 HydrophobicContact CB-CE2 3.76Å; H186-Y246 AromaticContact CG-CD2 3.94Å; H186-Y246 AromaticContact CG-CE2 3.88Å; H186-Y246 AromaticContact ND1-CE2 3.78Å; K206-Y246 HydrophobicContact CG-CD1 3.7Å; K206-Y246 HydrophobicContact CG-CE1 3.92Å; T244-Y246 PolarHBondContact O-N 3.2Å; T244-Y246 PolarHBondContact OG1-N 3.08Å; T244-Y246 PolarHBondContact OG1-O 3.04Å; Y246-N249 PolarHBondContact O-ND2 2.97Å; Y246-N249 VanDerWaalsContact O-ND2 3.14Å | ||
| 247 | L | 69.1 | Low | 83.7 | Confident | 92 Ų | 92 | 43.6 Ų | 43.6 | 48% | 0.482 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -87.1 | -29.7 | -175 | -62 | 170.5 | 0 | 0 | 0 | 111.4 | T205 K206 E208 | T205-L247 PolarHBondContact O-N 3.32Å; K206-L247 WeakPolarHBondContact O-CD1 3.34Å; E208-L247 HydrophobicContact CB-CD1 4.36Å; E208-L247 HydrophobicContact CG-CD1 3.3Å; E208-L247 HydrophobicContact CG-CG 4.37Å |
| 248 | E | 77.6 | Confident | 83.9 | Confident | 19 Ų | 19 | 43.8 Ų | 43.8 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 82.5 | -172.8 | -65.9 | -69.5 | 172.2 | 0 | 0 | 110.6 | G204 T205 D209 S210 R238 | G204-E248 WeakPolarHBondContact CA-O 3.46Å; T205-E248 HydrophobicContact CG2-CB 3.95Å; D209-E248 PolarHBondContact N-OE1 2.97Å; S210-E248 WeakPolarHBondContact O-CB 3.38Å; S210-E248 WeakPolarHBondContact O-CG 3.27Å; R238-E248 IonicContact CZ-OE1 3.68Å; R238-E248 IonicContact CZ-OE2 3.63Å; R238-E248 IonicContact NE-OE2 2.86Å; R238-E248 PolarHBondContact NE-OE2 3.03Å; R238-E248 IonicContact NH2-OE1 3.78Å; R238-E248 PolarHBondContact NH2-OE1 3.38Å; R238-E248 IonicContact NH2-OE2 2.87Å; R238-E248 PolarHBondContact NH2-OE2 3.1Å |
| 249 | N | 88.1 | Confident | 84.2 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.2 | -179.4 | -67.3 | -75.8 | 0 | 0 | 0 | 111.2 | M239 T244 Y246 | M239-N249 HydrophobicContact CB-CB 4.34Å; M239-N249 HydrophobicContact CE-CB 3.81Å; M239-N249 PolarHBondContact N-O 3.27Å; T244-N249 PolarHBondContact OG1-ND2 2.84Å; T244-N249 PolarHBondContact OG1-OD1 2.83Å; Y246-N249 PolarHBondContact O-ND2 2.97Å; Y246-N249 VanDerWaalsContact O-ND2 3.14Å |
| 250 | V | 92.6 | Very high | 84.5 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.7 | 174.4 | 176.2 | 0 | 0 | 0 | 0 | 109 | C202 A203 P212 V235 Y252 | C202-V250 WeakPolarHBondContact CA-O 3.49Å; A203-V250 PolarHBondContact N-O 3.4Å; A203-V250 VanDerWaalsContact N-O 3.11Å; A203-V250 PolarHBondContact O-N 3.37Å; P212-V250 HydrophobicContact CB-CG2 4.39Å; P212-V250 HydrophobicContact CG-CG1 4.46Å; P212-V250 HydrophobicContact CG-CG2 4.18Å; V235-V250 HydrophobicContact CG1-CG1 4.35Å; V250-Y252 HydrophobicContact CB-CD2 4.4Å; V250-Y252 HydrophobicContact CB-CE2 3.57Å; V250-Y252 HydrophobicContact CG1-CD1 4.42Å; V250-Y252 HydrophobicContact CG1-CD2 4.16Å; V250-Y252 HydrophobicContact CG1-CE1 3.99Å; V250-Y252 HydrophobicContact CG1-CE2 3.65Å; V250-Y252 HydrophobicContact CG1-CG 4.5Å; V250-Y252 VanDerWaalsContact O-CD2 3.27Å; V250-Y252 WeakPolarHBondContact O-CD2 3Å; V250-Y252 WeakPolarHBondContact O-CE2 3.34Å |
| 251 | A | 95 | Very high | 85.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 128.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | F195 M200 S236 F237 M239 | F195-A251 HydrophobicContact CD2-CB 4.02Å; F195-A251 HydrophobicContact CE2-CB 4.41Å; M200-A251 HydrophobicContact SD-CB 4.25Å; S236-A251 WeakPolarHBondContact CB-O 3.37Å; S236-A251 PolarHBondContact N-O 3.36Å; S236-A251 VanDerWaalsContact N-O 3.08Å; F237-A251 HydrophobicContact CD1-CB 3.78Å; F237-A251 HydrophobicContact CD2-CB 4.15Å; F237-A251 HydrophobicContact CE1-CB 3.42Å; F237-A251 VanDerWaalsContact CE1-CB 3.42Å; F237-A251 HydrophobicContact CE2-CB 3.8Å; F237-A251 HydrophobicContact CG-CB 4.15Å; F237-A251 HydrophobicContact CZ-CB 3.42Å; F237-A251 VanDerWaalsContact CZ-CB 3.42Å; F237-A251 PolarHBondContact N-O 2.79Å; F237-A251 PolarHBondContact O-N 3.37Å; M239-A251 HydrophobicContact CE-CB 4.24Å; M239-A251 HydrophobicContact CG-CB 4.15Å; M239-A251 HydrophobicContact SD-CB 4.02Å |
| 252 | Y | 96.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 142.6 | 175.9 | -55.2 | -100.3 | 0 | 0 | 0 | 108.9 | V163 M200 I201 A203 L221 L234 V235 V250 K254 | V163-Y252 HydrophobicContact CG1-CE1 4.44Å; V163-Y252 HydrophobicContact CG2-CE1 3.62Å; V163-Y252 WeakPolarHBondContact CG2-OH 3.3Å; M200-Y252 CarbonylContact C-O 3.55Å; M200-Y252 WeakPolarHBondContact CA-O 3.45Å; M200-Y252 WeakPolarHBondContact CB-O 3.05Å; I201-Y252 PolarHBondContact N-O 3.14Å; I201-Y252 PolarHBondContact O-N 3.37Å; A203-Y252 HydrophobicContact CB-CD2 4.21Å; A203-Y252 HydrophobicContact CB-CE2 3.67Å; L221-Y252 HydrophobicContact CB-CD1 3.69Å; L221-Y252 HydrophobicContact CB-CE1 4.04Å; L221-Y252 HydrophobicContact CB-CG 4.24Å; L221-Y252 HydrophobicContact CD1-CD1 4.35Å; L221-Y252 HydrophobicContact CD1-CE1 4.01Å; L221-Y252 HydrophobicContact CD1-CE2 4.5Å; L221-Y252 HydrophobicContact CD2-CD1 4.21Å; L221-Y252 HydrophobicContact CD2-CD2 4.14Å; L221-Y252 HydrophobicContact CD2-CG 3.95Å; L221-Y252 HydrophobicContact CG-CD1 4.31Å; L221-Y252 HydrophobicContact CG-CE1 4.45Å; L234-Y252 CarbonylContact O-C 3.48Å; L234-Y252 WeakPolarHBondContact O-CA 2.97Å; L234-Y252 WeakPolarHBondContact O-CB 3.33Å; V235-Y252 HydrophobicContact CB-CE1 4.5Å; V235-Y252 HydrophobicContact CG2-CD1 4.06Å; V235-Y252 HydrophobicContact CG2-CE1 3.69Å; V250-Y252 HydrophobicContact CB-CD2 4.4Å; V250-Y252 HydrophobicContact CB-CE2 3.57Å; V250-Y252 HydrophobicContact CG1-CD1 4.42Å; V250-Y252 HydrophobicContact CG1-CD2 4.16Å; V250-Y252 HydrophobicContact CG1-CE1 3.99Å; V250-Y252 HydrophobicContact CG1-CE2 3.65Å; V250-Y252 HydrophobicContact CG1-CG 4.5Å; V250-Y252 VanDerWaalsContact O-CD2 3.27Å; V250-Y252 WeakPolarHBondContact O-CD2 3Å; V250-Y252 WeakPolarHBondContact O-CE2 3.34Å; Y252-K254 PolarHBondContact O-N 3.01Å |
| 253 | V | 96.8 | Very high | 87.6 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 133.1 | 167 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | D127 I128 G233 L234 V255 F258 | D127-V253 HydrophobicContact CB-CG2 3.91Å; D127-V253 VanDerWaalsContact O-CG2 3.25Å; D127-V253 WeakPolarHBondContact O-CG2 3.44Å; I128-V253 HydrophobicContact CB-CG1 4.31Å; I128-V253 HydrophobicContact CD1-CG1 4.38Å; G233-V253 CarbonylContact C-O 3.59Å; G233-V253 WeakPolarHBondContact CA-O 3.34Å; L234-V253 HydrophobicContact CB-CB 4.17Å; L234-V253 HydrophobicContact CB-CG2 4.43Å; L234-V253 HydrophobicContact CD1-CB 4.41Å; L234-V253 HydrophobicContact CG-CB 4.47Å; L234-V253 PolarHBondContact N-O 3.24Å; L234-V253 PolarHBondContact O-N 2.78Å; V253-V255 PolarHBondContact O-N 2.95Å; V253-V255 VanDerWaalsContact O-N 3.15Å; V253-F258 HydrophobicContact CG1-CD2 3.65Å; V253-F258 HydrophobicContact CG1-CE2 3.5Å; V253-F258 HydrophobicContact CG1-CZ 4.4Å |
| 254 | K | 96.9 | Very high | 89.2 | Confident | 39 Ų | 39 | 39 Ų | 39 | 17% | 0.17 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 87.5 | 177.6 | -174.2 | 175.7 | -179.6 | -177.2 | 0 | 110.4 | D199 I201 Y252 P256 K257 F258 | D199-K254 VanDerWaalsContact O-CB 3.3Å; D199-K254 WeakPolarHBondContact O-CB 3.37Å; D199-K254 PolarHBondContact O-N 2.81Å; I201-K254 HydrophobicContact CD1-CB 4.4Å; I201-K254 HydrophobicContact CD1-CG 4.12Å; I201-K254 HydrophobicContact CG1-CB 4.02Å; I201-K254 HydrophobicContact CG1-CD 4.43Å; I201-K254 HydrophobicContact CG1-CG 3.92Å; Y252-K254 PolarHBondContact O-N 3.01Å; K254-P256 VanDerWaalsContact C-N 3.3Å; K254-P256 VanDerWaalsContact O-N 3.16Å; K254-K257 HydrophobicContact CB-CB 4.29Å; K254-K257 HydrophobicContact CD-CB 4.37Å; K254-K257 HydrophobicContact CG-CB 4.24Å; K254-K257 VanDerWaalsContact O-CB 3.26Å; K254-K257 WeakPolarHBondContact O-CB 3.04Å; K254-K257 PolarHBondContact O-N 2.58Å; K254-F258 WeakPolarHBondContact O-CD2 3.41Å |
| 255 | V | 98 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -49 | -42 | -178.3 | 172.6 | 0 | 0 | 0 | 0 | 113.8 | L67 L148 P149 I231 Q232 L234 V253 K257 F258 L259 L262 | L67-V255 HydrophobicContact CD2-CG1 4.36Å; L67-V255 HydrophobicContact CD2-CG2 3.99Å; L148-V255 HydrophobicContact CD2-CG1 4.44Å; P149-V255 HydrophobicContact CG-CG1 4.02Å; I231-V255 HydrophobicContact CG1-CG2 4.4Å; I231-V255 HydrophobicContact CG2-CG1 4.33Å; Q232-V255 PolarHBondContact O-N 2.85Å; L234-V255 HydrophobicContact CD1-CG2 4.42Å; L234-V255 HydrophobicContact CD2-CG2 4.36Å; L234-V255 HydrophobicContact CG-CG2 3.94Å; V253-V255 PolarHBondContact O-N 2.95Å; V253-V255 VanDerWaalsContact O-N 3.15Å; V255-K257 PolarHBondContact O-N 3.23Å; V255-K257 VanDerWaalsContact O-N 3.08Å; V255-F258 PolarHBondContact O-N 2.69Å; V255-L259 HydrophobicContact CG1-CD2 4.05Å; V255-L259 PolarHBondContact O-N 3.38Å; V255-L262 HydrophobicContact CG1-CD1 3.95Å |
| 256 | P | 97.7 | Very high | 92 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -53.8 | -30 | 176.5 | -28.4 | 33.5 | 0 | 0 | 0 | 115.3 | P149 N152 E153 Q232 K254 F258 | P149-P256 HydrophobicContact CB-CG 3.97Å; P149-P256 HydrophobicContact CG-CB 4.34Å; P149-P256 HydrophobicContact CG-CG 3.69Å; N152-P256 PolarHBondContact N-O 3.1Å; E153-P256 HydrophobicContact CB-CB 4.2Å; E153-P256 HydrophobicContact CB-CG 4.21Å; E153-P256 WeakPolarHBondContact O-CB 3.5Å; Q232-P256 VanDerWaalsContact O-CD 3.25Å; Q232-P256 WeakPolarHBondContact O-CD 3.37Å; K254-P256 VanDerWaalsContact C-N 3.3Å; K254-P256 VanDerWaalsContact O-N 3.16Å; P256-F258 VanDerWaalsContact C-N 3.29Å |
| 257 | K | 96.2 | Very high | 93.2 | Very high | 104 Ų | 104 | 37.3 Ų | 37.3 | 45% | 0.452 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -71.7 | -25.8 | 177.4 | 173.4 | 59.9 | -178.1 | 164.8 | 0 | 112.2 | K254 V255 | K254-K257 HydrophobicContact CB-CB 4.29Å; K254-K257 HydrophobicContact CD-CB 4.37Å; K254-K257 HydrophobicContact CG-CB 4.24Å; K254-K257 VanDerWaalsContact O-CB 3.26Å; K254-K257 WeakPolarHBondContact O-CB 3.04Å; K254-K257 PolarHBondContact O-N 2.58Å; V255-K257 PolarHBondContact O-N 3.23Å; V255-K257 VanDerWaalsContact O-N 3.08Å |
| 258 | F | 95.9 | Very high | 94.4 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -101.3 | 5.6 | -175 | -67 | -81.7 | 0 | 0 | 0 | 113.4 | E126 I128 V253 K254 V255 P256 K260 W261 L262 | E126-F258 HydrophobicContact CB-CE1 4.02Å; E126-F258 HydrophobicContact CB-CZ 4.26Å; E126-F258 HydrophobicContact CG-CE1 3.63Å; E126-F258 HydrophobicContact CG-CZ 3.87Å; I128-F258 HydrophobicContact CD1-CB 3.8Å; I128-F258 HydrophobicContact CD1-CD2 4.36Å; I128-F258 HydrophobicContact CD1-CG 4.01Å; I128-F258 HydrophobicContact CG2-CD1 4.11Å; I128-F258 HydrophobicContact CG2-CE1 4.33Å; I128-F258 HydrophobicContact CG2-CG 4.46Å; V253-F258 HydrophobicContact CG1-CD2 3.65Å; V253-F258 HydrophobicContact CG1-CE2 3.5Å; V253-F258 HydrophobicContact CG1-CZ 4.4Å; K254-F258 WeakPolarHBondContact O-CD2 3.41Å; V255-F258 PolarHBondContact O-N 2.69Å; P256-F258 VanDerWaalsContact C-N 3.29Å; F258-K260 PolarHBondContact O-N 2.79Å; F258-W261 WeakPolarHBondContact O-CB 3.08Å; F258-W261 PolarHBondContact O-N 3.31Å; F258-W261 VanDerWaalsContact O-N 3.09Å; F258-L262 WeakPolarHBondContact O-CG 3.19Å; F258-L262 PolarHBondContact O-N 2.87Å |
| 259 | L | 95.8 | Very high | 95.1 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.6 | -52.4 | -176 | -69.6 | -161.9 | 0 | 0 | 0 | 112.5 | L148 P149 S150 E151 V255 W261 L262 E263 | L148-L259 HydrophobicContact CD2-CD2 4.1Å; P149-L259 HydrophobicContact CG-CD2 4.19Å; P149-L259 WeakPolarHBondContact O-CD1 3.05Å; S150-L259 VanDerWaalsContact C-CD1 3.47Å; E151-L259 HydrophobicContact CB-CD1 4.22Å; E151-L259 HydrophobicContact CG-CB 4.32Å; V255-L259 HydrophobicContact CG1-CD2 4.05Å; V255-L259 PolarHBondContact O-N 3.38Å; L259-W261 PolarHBondContact O-N 2.89Å; L259-W261 VanDerWaalsContact O-N 3.08Å; L259-L262 HydrophobicContact CD2-CD1 3.97Å; L259-L262 CarbonylContact O-C 3.57Å; L259-L262 WeakPolarHBondContact O-CA 3.39Å; L259-L262 WeakPolarHBondContact O-CB 3.39Å; L259-L262 PolarHBondContact O-N 3.03Å; L259-E263 VanDerWaalsContact O-CG 3.27Å; L259-E263 WeakPolarHBondContact O-CG 3.36Å; L259-E263 PolarHBondContact O-N 3.28Å |
| 260 | K | 95.2 | Very high | 95.1 | Very high | 130 Ų | 130 | 38.3 Ų | 38.3 | 57% | 0.565 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -52.8 | -38.1 | 177.8 | -75.8 | 178 | 167.6 | 138.3 | 0 | 113.6 | E151 F258 Y264 | E151-K260 WeakPolarHBondContact OE1-CD 3.25Å; E151-K260 WeakPolarHBondContact OE1-CE 3.21Å; E151-K260 IonicContact OE1-NZ 3.23Å; E151-K260 PolarHBondContact OE1-NZ 2.76Å; E151-K260 VanDerWaalsContact OE2-CE 3.28Å; E151-K260 WeakPolarHBondContact OE2-CE 3.46Å; E151-K260 IonicContact OE2-NZ 3.82Å; E151-K260 PolarHBondContact OE2-NZ 2.78Å; F258-K260 PolarHBondContact O-N 2.79Å; K260-Y264 VanDerWaalsContact O-CB 3.26Å; K260-Y264 WeakPolarHBondContact O-CB 3.48Å; K260-Y264 PolarHBondContact O-N 3.32Å; K260-Y264 VanDerWaalsContact O-N 3.09Å |
| 261 | W | 95.5 | Very high | 94.8 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 21% | 0.208 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.5 | -42.3 | 175.3 | 176.1 | 92.6 | 0 | 0 | 0 | 111.8 | V115 L116 I128 I130 F258 L259 N265 | V115-W261 HydrophobicContact CG1-CH2 4.34Å; V115-W261 HydrophobicContact CG1-CZ2 3.82Å; L116-W261 VanDerWaalsContact C-CZ2 3.5Å; L116-W261 WeakPolarHBondContact O-CZ2 3.32Å; I128-W261 HydrophobicContact CD1-CE3 4.43Å; I128-W261 HydrophobicContact CD1-CZ3 4.13Å; I128-W261 HydrophobicContact CG1-CZ3 4.04Å; I128-W261 HydrophobicContact CG2-CE3 4.42Å; I128-W261 HydrophobicContact CG2-CH2 4.28Å; I128-W261 HydrophobicContact CG2-CZ3 4.05Å; I130-W261 HydrophobicContact CD1-CE3 4.38Å; I130-W261 HydrophobicContact CD1-CH2 3.75Å; I130-W261 HydrophobicContact CD1-CZ3 3.67Å; I130-W261 HydrophobicContact CG1-CH2 3.73Å; I130-W261 HydrophobicContact CG1-CZ3 3.71Å; F258-W261 WeakPolarHBondContact O-CB 3.08Å; F258-W261 PolarHBondContact O-N 3.31Å; F258-W261 VanDerWaalsContact O-N 3.09Å; L259-W261 PolarHBondContact O-N 2.89Å; L259-W261 VanDerWaalsContact O-N 3.08Å; W261-N265 VanDerWaalsContact CD1-ND2 3.33Å; W261-N265 VanDerWaalsContact CE2-ND2 3.27Å; W261-N265 PolarHBondContact NE1-ND2 3.26Å; W261-N265 VanDerWaalsContact NE1-ND2 3.14Å; W261-N265 WeakPolarHBondContact O-CB 3.47Å; W261-N265 PolarHBondContact O-N 3.23Å; W261-N265 VanDerWaalsContact O-N 3.09Å; W261-N265 PolarHBondContact O-ND2 3.25Å |
| 262 | L | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -51 | 174.8 | -70.7 | 171.5 | 0 | 0 | 0 | 110.8 | L67 I128 I130 L148 V255 F258 L259 Y264 N265 I266 | L67-L262 HydrophobicContact CD1-CD2 3.52Å; L67-L262 HydrophobicContact CD2-CD1 4.34Å; I128-L262 HydrophobicContact CD1-CD2 4.21Å; I130-L262 HydrophobicContact CD1-CD2 3.93Å; I130-L262 HydrophobicContact CG1-CD2 3.89Å; L148-L262 HydrophobicContact CD2-CD1 4.12Å; V255-L262 HydrophobicContact CG1-CD1 3.95Å; F258-L262 WeakPolarHBondContact O-CG 3.19Å; F258-L262 PolarHBondContact O-N 2.87Å; L259-L262 HydrophobicContact CD2-CD1 3.97Å; L259-L262 CarbonylContact O-C 3.57Å; L259-L262 WeakPolarHBondContact O-CA 3.39Å; L259-L262 WeakPolarHBondContact O-CB 3.39Å; L259-L262 PolarHBondContact O-N 3.03Å; L262-Y264 PolarHBondContact O-N 2.81Å; L262-N265 PolarHBondContact O-N 3.11Å; L262-I266 HydrophobicContact CB-CD1 4.29Å; L262-I266 VanDerWaalsContact O-CB 3.32Å; L262-I266 WeakPolarHBondContact O-CB 3.42Å; L262-I266 WeakPolarHBondContact O-CD1 3.41Å; L262-I266 WeakPolarHBondContact O-CG1 3.41Å; L262-I266 PolarHBondContact O-N 2.84Å |
| 263 | E | 94.8 | Very high | 92 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 41% | 0.407 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.1 | -51.6 | -178.1 | -57.3 | -175.9 | 147.6 | 0 | 0 | 110.8 | W57 L259 N265 I266 E267 | W57-E263 VanDerWaalsContact CH2-CA 3.43Å; W57-E263 HydrophobicContact CH2-CB 3.64Å; W57-E263 HydrophobicContact CH2-CG 3.57Å; W57-E263 HydrophobicContact CZ2-CB 4.46Å; W57-E263 HydrophobicContact CZ3-CB 4.42Å; W57-E263 HydrophobicContact CZ3-CG 3.98Å; L259-E263 VanDerWaalsContact O-CG 3.27Å; L259-E263 WeakPolarHBondContact O-CG 3.36Å; L259-E263 PolarHBondContact O-N 3.28Å; E263-N265 PolarHBondContact O-N 3.17Å; E263-I266 PolarHBondContact O-N 3.29Å; E263-E267 WeakPolarHBondContact O-CG 3.43Å; E263-E267 PolarHBondContact O-N 2.98Å |
| 264 | Y | 94.9 | Very high | 90.2 | Very high | 136 Ų | 136 | 56.7 Ų | 56.7 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56 | -46.6 | 178.3 | 174.8 | -103.6 | 0 | 0 | 0 | 113 | K260 L262 R268 | K260-Y264 VanDerWaalsContact O-CB 3.26Å; K260-Y264 WeakPolarHBondContact O-CB 3.48Å; K260-Y264 PolarHBondContact O-N 3.32Å; K260-Y264 VanDerWaalsContact O-N 3.09Å; L262-Y264 PolarHBondContact O-N 2.81Å; Y264-R268 WeakPolarHBondContact O-CG 3.45Å; Y264-R268 PolarHBondContact O-N 2.72Å; Y264-R268 PolarHBondContact OH-NH1 3.25Å |
| 265 | N | 95.5 | Very high | 87.8 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.059 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76.9 | -37 | -176.6 | -73.8 | -70.3 | 0 | 0 | 0 | 112.6 | V115 I130 W261 L262 E263 E267 R268 L269 | V115-N265 HydrophobicContact CG1-CB 4.03Å; I130-N265 HydrophobicContact CD1-CB 3.77Å; W261-N265 VanDerWaalsContact CD1-ND2 3.33Å; W261-N265 VanDerWaalsContact CE2-ND2 3.27Å; W261-N265 PolarHBondContact NE1-ND2 3.26Å; W261-N265 VanDerWaalsContact NE1-ND2 3.14Å; W261-N265 WeakPolarHBondContact O-CB 3.47Å; W261-N265 PolarHBondContact O-N 3.23Å; W261-N265 VanDerWaalsContact O-N 3.09Å; W261-N265 PolarHBondContact O-ND2 3.25Å; L262-N265 PolarHBondContact O-N 3.11Å; E263-N265 PolarHBondContact O-N 3.17Å; N265-E267 VanDerWaalsContact C-N 3.34Å; N265-R268 PolarHBondContact O-N 2.71Å; N265-L269 WeakPolarHBondContact O-CB 3.08Å; N265-L269 VanDerWaalsContact O-CG 3.25Å; N265-L269 WeakPolarHBondContact O-CG 3.25Å; N265-L269 PolarHBondContact O-N 3.35Å |
| 266 | I | 94.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 176.1 | -65.8 | 166.6 | 0 | 0 | 0 | 110 | L55 W57 I65 I130 L262 E263 R268 L269 Q270 | L55-I266 HydrophobicContact CD1-CD1 4.28Å; W57-I266 HydrophobicContact CD2-CB 4.22Å; W57-I266 HydrophobicContact CD2-CD1 4.07Å; W57-I266 HydrophobicContact CD2-CG2 3.56Å; W57-I266 VanDerWaalsContact CE2-CG2 3.46Å; W57-I266 HydrophobicContact CE3-CD1 3.65Å; W57-I266 HydrophobicContact CE3-CG2 4.26Å; W57-I266 HydrophobicContact CG-CG2 3.66Å; W57-I266 HydrophobicContact CZ2-CB 4.22Å; W57-I266 HydrophobicContact CZ2-CG2 4.15Å; W57-I266 HydrophobicContact CZ3-CD1 3.95Å; I65-I266 HydrophobicContact CD1-CG2 4.29Å; I65-I266 HydrophobicContact CG1-CG2 4.02Å; I65-I266 HydrophobicContact CG2-CD1 3.96Å; I65-I266 HydrophobicContact CG2-CG1 4.02Å; I130-I266 HydrophobicContact CD1-CG1 4.1Å; L262-I266 HydrophobicContact CB-CD1 4.29Å; L262-I266 VanDerWaalsContact O-CB 3.32Å; L262-I266 WeakPolarHBondContact O-CB 3.42Å; L262-I266 WeakPolarHBondContact O-CD1 3.41Å; L262-I266 WeakPolarHBondContact O-CG1 3.41Å; L262-I266 PolarHBondContact O-N 2.84Å; E263-I266 PolarHBondContact O-N 3.29Å; I266-R268 PolarHBondContact O-N 2.83Å; I266-L269 WeakPolarHBondContact O-CB 3.35Å; I266-L269 PolarHBondContact O-N 2.87Å; I266-Q270 HydrophobicContact CG2-CG 4.25Å; I266-Q270 WeakPolarHBondContact O-CG 3.33Å; I266-Q270 PolarHBondContact O-N 2.81Å |
| 267 | E | 93.9 | Very high | 84.2 | Confident | 82 Ų | 82 | 76.5 Ų | 76.5 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 177.3 | -72.6 | -169.8 | 149.4 | 0 | 0 | 112.6 | W57 K58 E263 N265 L269 Q270 Q271 | W57-E267 HydrophobicContact CZ2-CG 4.04Å; K58-E267 IonicContact NZ-OE1 2.97Å; K58-E267 PolarHBondContact NZ-OE1 3.23Å; E263-E267 WeakPolarHBondContact O-CG 3.43Å; E263-E267 PolarHBondContact O-N 2.98Å; N265-E267 VanDerWaalsContact C-N 3.34Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 3.43Å; E267-Q270 PolarHBondContact O-N 3.04Å; E267-Q271 WeakPolarHBondContact O-CG 3.27Å; E267-Q271 PolarHBondContact O-N 3.05Å |
| 268 | R | 93.6 | Very high | 83.5 | Confident | 73 Ų | 73 | 75.1 Ų | 75.1 | 28% | 0.275 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 175.2 | -71 | -178.1 | 63.5 | -164.6 | -0.8 | 112.7 | Y264 N265 I266 Q271 N272 L273 F274 | Y264-R268 WeakPolarHBondContact O-CG 3.45Å; Y264-R268 PolarHBondContact O-N 2.72Å; Y264-R268 PolarHBondContact OH-NH1 3.25Å; N265-R268 PolarHBondContact O-N 2.71Å; I266-R268 PolarHBondContact O-N 2.83Å; R268-Q271 PolarHBondContact O-N 3.03Å; R268-N272 PolarHBondContact O-N 2.89Å; R268-L273 HydrophobicContact CB-CB 4.37Å; R268-L273 HydrophobicContact CB-CD1 4.46Å; R268-L273 HydrophobicContact CG-CD1 4.17Å; R268-L273 PolarHBondContact O-N 3.37Å; R268-F274 HydrophobicContact CB-CD2 4.15Å; R268-F274 HydrophobicContact CB-CE2 3.33Å; R268-F274 HydrophobicContact CB-CZ 3.84Å |
| 269 | L | 93.3 | Very high | 82.9 | Confident | 2 Ų | 2 | 78.4 Ų | 78.4 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.1 | -77.9 | 171 | 0 | 0 | 0 | 111.2 | I65 T113 V115 I130 K132 N265 I266 E267 N272 F274 | I65-L269 HydrophobicContact CD1-CD1 4.35Å; T113-L269 HydrophobicContact CG2-CD2 3.55Å; V115-L269 HydrophobicContact CG2-CD1 3.79Å; V115-L269 HydrophobicContact CG2-CD2 3.85Å; V115-L269 HydrophobicContact CG2-CG 3.99Å; I130-L269 HydrophobicContact CB-CD1 4.41Å; I130-L269 HydrophobicContact CG2-CD1 3.73Å; K132-L269 HydrophobicContact CB-CD1 4.36Å; K132-L269 HydrophobicContact CB-CD2 4.12Å; K132-L269 HydrophobicContact CD-CB 4.19Å; K132-L269 HydrophobicContact CD-CD2 4.07Å; K132-L269 PolarHBondContact NZ-O 2.86Å; N265-L269 WeakPolarHBondContact O-CB 3.08Å; N265-L269 VanDerWaalsContact O-CG 3.25Å; N265-L269 WeakPolarHBondContact O-CG 3.25Å; N265-L269 PolarHBondContact O-N 3.35Å; I266-L269 WeakPolarHBondContact O-CB 3.35Å; I266-L269 PolarHBondContact O-N 2.87Å; E267-L269 VanDerWaalsContact C-N 3.33Å; E267-L269 PolarHBondContact O-N 3.43Å; L269-N272 PolarHBondContact O-N 3.11Å; L269-F274 HydrophobicContact CD2-CD2 3.61Å; L269-F274 HydrophobicContact CD2-CE2 3.9Å; L269-F274 HydrophobicContact CD2-CG 4.42Å; L269-F274 HydrophobicContact CG-CD2 4Å; L269-F274 HydrophobicContact CG-CE2 3.82Å |
| 270 | Q | 87.9 | Confident | 82.1 | Confident | 59 Ų | 59 | 82.7 Ų | 82.7 | 28% | 0.276 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.5 | -32.4 | 178.4 | -64.5 | -53.5 | -21.9 | 0 | 0 | 112.7 | N64 I266 E267 N272 | N64-Q270 PolarHBondContact OD1-NE2 2.73Å; I266-Q270 HydrophobicContact CG2-CG 4.25Å; I266-Q270 WeakPolarHBondContact O-CG 3.33Å; I266-Q270 PolarHBondContact O-N 2.81Å; E267-Q270 PolarHBondContact O-N 3.04Å; Q270-N272 PolarHBondContact O-N 3.12Å |
| 271 | Q | 85.4 | Confident | 81.3 | Confident | 127 Ų | 127 | 79.8 Ų | 79.8 | 59% | 0.593 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 1.9 | 174.5 | -67.1 | 173.6 | 7.9 | 0 | 0 | 113.5 | E267 R268 L273 | E267-Q271 WeakPolarHBondContact O-CG 3.27Å; E267-Q271 PolarHBondContact O-N 3.05Å; R268-Q271 PolarHBondContact O-N 3.03Å; Q271-L273 HydrophobicContact CB-CD1 4.05Å; Q271-L273 HydrophobicContact CB-CG 3.78Å; Q271-L273 PolarHBondContact O-N 3.26Å |
| 272 | N | 71.8 | Confident | 80.3 | Confident | 96 Ų | 96 | 81.4 Ų | 81.4 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 27.5 | -173.6 | -63.3 | -38.2 | 0 | 0 | 0 | 114.1 | K132 R268 L269 Q270 F274 S275 | K132-N272 PolarHBondContact NZ-OD1 3.03Å; R268-N272 PolarHBondContact O-N 2.89Å; L269-N272 PolarHBondContact O-N 3.11Å; Q270-N272 PolarHBondContact O-N 3.12Å; N272-F274 PolarHBondContact O-N 2.79Å; N272-S275 PolarHBondContact O-N 2.57Å; N272-S275 PolarHBondContact O-OG 2.83Å |
| 273 | L | 62.3 | Low | 79.2 | Confident | 98 Ų | 98 | 87.2 Ų | 87.2 | 51% | 0.513 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | 7.4 | -178 | -68.8 | 177.1 | 0 | 0 | 0 | 114.7 | R268 Q271 | R268-L273 HydrophobicContact CB-CB 4.37Å; R268-L273 HydrophobicContact CB-CD1 4.46Å; R268-L273 HydrophobicContact CG-CD1 4.17Å; R268-L273 PolarHBondContact O-N 3.37Å; Q271-L273 HydrophobicContact CB-CD1 4.05Å; Q271-L273 HydrophobicContact CB-CG 3.78Å; Q271-L273 PolarHBondContact O-N 3.26Å |
| 274 | F | 59.1 | Low | 78 | Confident | 71 Ų | 71 | 87.2 Ų | 87.2 | 31% | 0.311 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -1.6 | 177.4 | -66.5 | -79.4 | 0 | 0 | 0 | 113.2 | T113 V115 R268 L269 N272 K276 | T113-F274 HydrophobicContact CG2-CB 4.11Å; V115-F274 HydrophobicContact CG2-CE2 4.48Å; V115-F274 HydrophobicContact CG2-CZ 4.38Å; R268-F274 HydrophobicContact CB-CD2 4.15Å; R268-F274 HydrophobicContact CB-CE2 3.33Å; R268-F274 HydrophobicContact CB-CZ 3.84Å; L269-F274 HydrophobicContact CD2-CD2 3.61Å; L269-F274 HydrophobicContact CD2-CE2 3.9Å; L269-F274 HydrophobicContact CD2-CG 4.42Å; L269-F274 HydrophobicContact CG-CD2 4Å; L269-F274 HydrophobicContact CG-CE2 3.82Å; N272-F274 PolarHBondContact O-N 2.79Å; F274-K276 PolarHBondContact O-N 3.04Å |
| 275 | S | 45.4 | Very low | 76.6 | Confident | 97 Ų | 97 | 83.2 Ų | 83.2 | 68% | 0.678 | 40% | 0.403 | S | S | * | . | trans | -77.2 | 104.8 | 169.8 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | N272 | N272-S275 PolarHBondContact O-N 2.57Å; N272-S275 PolarHBondContact O-OG 2.83Å | ||
| 276 | K | 36.3 | Very low | 74.9 | Confident | 282 Ų | 282 | 89.7 Ų | 89.7 | 100% | 1.226 | 44% | 0.435 | S | S | * | . | trans | -125.5 | 0 | 151.7 | -85.3 | -169.8 | 177.2 | -177 | 0 | 108.3 | F274 | F274-K276 PolarHBondContact O-N 3.04Š|
Retrieved 276 of 276 residues in 349.2 ms
(Link to these results)