| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.8 | Very low | 63.2 | Low | 245 Ų | 245 | 114.6 Ų | 114.6 | 100% | 1.207 | 61% | 0.608 | S | S | * | * | 0 | 95.3 | 0 | -93.6 | 175.7 | 159 | 0 | 0 | 106.1 | |||||
| 2 | E | 41.3 | Very low | 65.5 | Low | 190 Ų | 190 | 105.1 Ų | 105.1 | 89% | 0.888 | 56% | 0.558 | S | S | * | * | trans | -130.2 | 121.4 | 170.6 | -95.1 | 145.5 | 103.6 | 0 | 0 | 105.8 | E4 | E2-E4 PolarHBondContact O-N 3.08Š| ||
| 3 | S | 44.2 | Very low | 67.5 | Low | 104 Ų | 104 | 97.7 Ų | 97.7 | 73% | 0.727 | 52% | 0.518 | S | S | * | . | trans | -86.4 | 100.6 | 178.2 | 52.2 | 0 | 0 | 0 | 0 | 108.5 | T5 | S3-T5 PolarHBondContact O-N 3.33Å; S3-T5 PolarHBondContact O-OG1 3.14Å | ||
| 4 | E | 47.4 | Very low | 69.1 | Low | 192 Ų | 192 | 90.7 Ų | 90.7 | 90% | 0.897 | 48% | 0.481 | S | S | * | . | trans | -50 | 112.1 | 167.9 | -77 | 179.6 | 102.4 | 0 | 0 | 108.7 | E2 E6 | E2-E4 PolarHBondContact O-N 3.08Å; E4-E6 PolarHBondContact O-N 3.35Å | ||
| 5 | T | 59.1 | Low | 70.5 | Confident | 88 Ų | 88 | 89.3 Ų | 89.3 | 54% | 0.54 | 47% | 0.47 | S | S | . | . | trans | -91.7 | 94.9 | -180 | -57.4 | 0 | 0 | 0 | 0 | 106.5 | S3 | S3-T5 PolarHBondContact O-N 3.33Å; S3-T5 PolarHBondContact O-OG1 3.14Å | ||
| 6 | E | 62.6 | Low | 71.4 | Confident | 155 Ų | 155 | 84.3 Ų | 84.3 | 72% | 0.724 | 44% | 0.444 | S | S | * | . | trans | -39.9 | 129.7 | 174.1 | -76.4 | -67.4 | 160.2 | 0 | 0 | 110.8 | E4 E8 | E4-E6 PolarHBondContact O-N 3.35Å; E6-E8 PolarHBondContact O-N 2.88Å | ||
| 7 | P | 65.1 | Low | 71.6 | Confident | 79 Ų | 79 | 83.5 Ų | 83.5 | 51% | 0.513 | 45% | 0.445 | S | S | . | . | trans | -66.5 | 105.5 | 174.9 | 27.7 | -31.9 | 0 | 0 | 0 | 108.3 | P9 | P7-P9 WeakPolarHBondContact O-CD 3.37Š| ||
| 8 | E | 78 | Confident | 71.3 | Confident | 75 Ų | 75 | 85.8 Ų | 85.8 | 35% | 0.35 | 46% | 0.457 | S | S | . | . | trans | -86 | 96 | 168.5 | -165.8 | -172 | 146.3 | 0 | 0 | 107.3 | E6 R30 K75 | E6-E8 PolarHBondContact O-N 2.88Å; E8-R30 HydrophobicContact CB-CB 4.38Å; E8-R30 HydrophobicContact CB-CG 4.4Å; E8-R30 HydrophobicContact CG-CG 4.48Å; E8-R30 PolarHBondContact O-N 3.02Å; E8-R30 WeakPolarHBondContact OE1-CD 3.39Å; E8-R30 IonicContact OE1-CZ 2.83Å; E8-R30 IonicContact OE1-NE 2.67Å; E8-R30 IonicContact OE1-NH1 3.17Å; E8-R30 PolarHBondContact OE1-NH1 2.89Å; E8-K75 IonicContact OE2-NZ 3.42Å; E8-K75 PolarHBondContact OE2-NZ 3.39Å | ||
| 9 | P | 84.1 | Confident | 71.1 | Confident | 86 Ų | 86 | 89.8 Ų | 89.8 | 56% | 0.558 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 140.2 | -178.9 | 31.2 | -37.4 | 0 | 0 | 0 | 109.8 | P7 | P7-P9 WeakPolarHBondContact O-CD 3.37Å |
| 10 | V | 86.8 | Confident | 70.7 | Confident | 4 Ų | 4 | 94.3 Ų | 94.3 | 2% | 0.024 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.9 | 178.8 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | L12 G28 R30 L73 H80 | V10-L12 HydrophobicContact CG1-CD2 3.97Å; V10-L12 HydrophobicContact CG1-CG 4.24Å; V10-L12 HydrophobicContact CG2-CD2 4.47Å; V10-G28 VanDerWaalsContact CG1-O 3.27Å; V10-G28 WeakPolarHBondContact CG1-O 3.32Å; V10-G28 PolarHBondContact N-O 3.27Å; V10-G28 PolarHBondContact O-N 2.8Å; V10-G28 VanDerWaalsContact O-N 3.16Å; V10-R30 HydrophobicContact CB-CG 3.92Å; V10-R30 HydrophobicContact CG1-CG 3.68Å; V10-L73 HydrophobicContact CG1-CD1 4.23Å; V10-H80 WeakPolarHBondContact CG2-CD2 3.46Å; V10-H80 WeakPolarHBondContact CG2-NE2 3.4Å |
| 11 | T | 89.1 | Confident | 70.6 | Confident | 43 Ų | 43 | 92 Ų | 92 | 26% | 0.264 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.9 | 180 | -56.8 | 0 | 0 | 0 | 0 | 109.7 | E25 K78 R79 H80 | T11-E25 HydrophobicContact CG2-CG 3.47Å; T11-E25 VanDerWaalsContact CG2-CG 3.47Å; T11-E25 VanDerWaalsContact CG2-OE1 3.25Å; T11-E25 WeakPolarHBondContact CG2-OE1 3.21Å; T11-K78 WeakPolarHBondContact CB-O 3.29Å; T11-K78 PolarHBondContact N-O 2.97Å; T11-R79 HydrophobicContact CG2-CB 4.48Å; T11-R79 HydrophobicContact CG2-CG 3.91Å; T11-R79 VanDerWaalsContact O-CA 3.32Å; T11-R79 WeakPolarHBondContact O-CA 3.47Å; T11-H80 PolarHBondContact O-N 2.99Å |
| 12 | L | 90.9 | Very high | 72.4 | Confident | 0 Ų | 0 | 91.7 Ų | 91.7 | 0% | 0 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 114.3 | -178 | -56.4 | 175.5 | 0 | 0 | 0 | 108.5 | V10 L26 L37 L69 L73 H80 L82 | V10-L12 HydrophobicContact CG1-CD2 3.97Å; V10-L12 HydrophobicContact CG1-CG 4.24Å; V10-L12 HydrophobicContact CG2-CD2 4.47Å; L12-L26 HydrophobicContact CB-CD1 3.97Å; L12-L26 HydrophobicContact CB-CG 4.1Å; L12-L26 HydrophobicContact CD1-CD1 3.92Å; L12-L26 HydrophobicContact CG-CD1 4.41Å; L12-L26 PolarHBondContact N-O 3.23Å; L12-L26 PolarHBondContact O-N 3.27Å; L12-L37 HydrophobicContact CD1-CD1 3.89Å; L12-L37 HydrophobicContact CD1-CD2 4.17Å; L12-L69 HydrophobicContact CD1-CD2 3.72Å; L12-L73 HydrophobicContact CD2-CD1 3.69Å; L12-H80 HydrophobicContact CD2-CB 4.32Å; L12-L82 HydrophobicContact CB-CD1 4.3Å; L12-L82 HydrophobicContact CD2-CD1 3.9Å |
| 13 | L | 90.5 | Very high | 74.4 | Confident | 9 Ų | 9 | 85.8 Ų | 85.8 | 5% | 0.047 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 105.5 | 177.3 | -172.6 | 70.3 | 0 | 0 | 0 | 109.3 | D23 E25 H80 V81 L82 | L13-D23 HydrophobicContact CD1-CB 3.84Å; L13-D23 HydrophobicContact CG-CB 4.25Å; L13-E25 HydrophobicContact CD1-CB 4.01Å; L13-H80 PolarHBondContact N-O 2.84Å; L13-V81 HydrophobicContact CD2-CG2 4.23Å; L13-V81 WeakPolarHBondContact O-CA 3.35Å; L13-L82 PolarHBondContact O-N 3.32Å |
| 14 | V | 90.8 | Very high | 76.3 | Confident | 0 Ų | 0 | 82.6 Ų | 82.6 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 106 | -176.2 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L24 L26 L41 L82 L84 | V14-L24 HydrophobicContact CB-CB 4.35Å; V14-L24 PolarHBondContact N-O 3.02Å; V14-L24 PolarHBondContact O-N 2.79Å; V14-L26 HydrophobicContact CG2-CD2 3.79Å; V14-L41 HydrophobicContact CB-CD2 4.45Å; V14-L41 HydrophobicContact CG1-CD2 4.18Å; V14-L41 HydrophobicContact CG2-CD1 4.49Å; V14-L41 HydrophobicContact CG2-CD2 4.17Å; V14-L82 CarbonylContact C-O 3.54Å; V14-L82 VanDerWaalsContact CA-O 3.32Å; V14-L82 WeakPolarHBondContact CA-O 3.31Å; V14-L82 HydrophobicContact CG2-CB 4.47Å; V14-L84 HydrophobicContact CG1-CB 3.49Å; V14-L84 VanDerWaalsContact CG1-CB 3.49Å; V14-L84 HydrophobicContact CG1-CD2 4.06Å; V14-L84 HydrophobicContact CG1-CG 4.41Å |
| 15 | K | 89.5 | Confident | 78.2 | Confident | 70 Ų | 70 | 78.3 Ų | 78.3 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 144.7 | 178 | -57.9 | -158.8 | 176.7 | -161.2 | 0 | 111.5 | D23 V81 L82 H83 L84 | K15-D23 WeakPolarHBondContact CE-OD2 3.35Å; K15-D23 IonicContact NZ-OD2 3.86Å; K15-D23 PolarHBondContact NZ-OD2 3.17Å; K15-V81 HydrophobicContact CD-CG1 3.73Å; K15-V81 HydrophobicContact CG-CG1 3.8Å; K15-L82 PolarHBondContact N-O 3.11Å; K15-H83 WeakPolarHBondContact O-CA 3.37Å; K15-L84 PolarHBondContact O-N 3.26Å |
| 16 | S | 84.6 | Confident | 79.6 | Confident | 9 Ų | 9 | 74.8 Ų | 74.8 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | trans | -93.9 | 136.5 | 173.4 | 68.5 | 0 | 0 | 0 | 0 | 110.9 | N18 Q19 R20 H21 Y45 | S16-N18 PolarHBondContact O-N 3.11Å; S16-Q19 PolarHBondContact O-N 3.46Å; S16-Q19 VanDerWaalsContact OG-C 3.29Å; S16-Q19 VanDerWaalsContact OG-CA 3.29Å; S16-Q19 WeakPolarHBondContact OG-CA 3.48Å; S16-R20 PolarHBondContact OG-N 3.4Å; S16-R20 VanDerWaalsContact OG-N 3.1Å; S16-H21 PolarHBondContact OG-N 3.39Å; S16-H21 PolarHBondContact OG-O 3.45Å; S16-Y45 WeakPolarHBondContact CB-OH 3.32Å | ||
| 17 | P | 75.1 | Confident | 80.6 | Confident | 70 Ų | 70 | 71 Ų | 71 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.4 | -170.6 | -30.3 | 34 | 0 | 0 | 0 | 116.5 | L84 V85 | P17-L84 WeakPolarHBondContact CD-O 3.48Å; P17-V85 HydrophobicContact CG-CB 4.32Å; P17-V85 HydrophobicContact CG-CG1 4.48Å; P17-V85 HydrophobicContact CG-CG2 3.81Å |
| 18 | N | 65.7 | Low | 81.6 | Confident | 125 Ų | 125 | 67.2 Ų | 67.2 | 67% | 0.668 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.4 | 17.4 | 179.9 | -67.4 | -58.2 | 0 | 0 | 0 | 111.9 | S16 R20 | S16-N18 PolarHBondContact O-N 3.11Å; N18-R20 HydrophobicContact CB-CG 4.09Å; N18-R20 PolarHBondContact O-N 2.89Å |
| 19 | Q | 68.6 | Low | 82.1 | Confident | 163 Ų | 163 | 65.7 Ų | 65.7 | 76% | 0.762 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 50 | 21.6 | -171 | -61.8 | -177.5 | -2.7 | 0 | 0 | 114.9 | S16 H21 | S16-Q19 PolarHBondContact O-N 3.46Å; S16-Q19 VanDerWaalsContact OG-C 3.29Å; S16-Q19 VanDerWaalsContact OG-CA 3.29Å; S16-Q19 WeakPolarHBondContact OG-CA 3.48Å; Q19-H21 PolarHBondContact O-N 2.89Å; Q19-H21 VanDerWaalsContact O-N 3.11Å |
| 20 | R | 63.2 | Low | 82.2 | Confident | 179 Ų | 179 | 62.2 Ų | 62.2 | 68% | 0.675 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -55.3 | -31.6 | -179.3 | -82.4 | -177.9 | 178 | -167.6 | -0.2 | 113.2 | S16 N18 | S16-R20 PolarHBondContact OG-N 3.4Å; S16-R20 VanDerWaalsContact OG-N 3.1Å; N18-R20 HydrophobicContact CB-CG 4.09Å; N18-R20 PolarHBondContact O-N 2.89Å |
| 21 | H | 68.6 | Low | 82.2 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 21% | 0.208 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -126.9 | 143.4 | 174.1 | -57.2 | -84.7 | 0 | 0 | 0 | 107.8 | S16 Q19 Y45 E47 | S16-H21 PolarHBondContact OG-N 3.39Å; S16-H21 PolarHBondContact OG-O 3.45Å; Q19-H21 PolarHBondContact O-N 2.89Å; Q19-H21 VanDerWaalsContact O-N 3.11Å; H21-Y45 HydrophobicContact CB-CE2 4.41Å; H21-Y45 AromaticContact CD2-CZ 3.84Å; H21-Y45 PolarHBondContact CD2-OH 2.85Å; H21-E47 IonicContact CD2-OE1 3.72Å; H21-E47 IonicContact CE1-OE1 2.7Å; H21-E47 WeakPolarHBondContact NE2-CG 3.48Å; H21-E47 IonicContact NE2-OE1 3.72Å; H21-E47 PolarHBondContact NE2-OE1 3.35Å |
| 22 | R | 75.1 | Confident | 82.2 | Confident | 239 Ų | 239 | 63.8 Ų | 63.8 | 90% | 0.902 | 31% | 0.307 | S | S | * | . | trans | -54.8 | 148.3 | 175.2 | -68.3 | -175.9 | 179.7 | -121.4 | 2 | 110.4 | L24 | R22-L24 PolarHBondContact O-N 2.98Å; R22-L24 VanDerWaalsContact O-N 3.16Å | ||
| 23 | D | 83.3 | Confident | 82.3 | Confident | 67 Ų | 67 | 65.9 Ų | 65.9 | 36% | 0.358 | 32% | 0.321 | S | S | . | . | trans | -51.3 | 119.4 | 174.5 | -67.6 | 1.9 | 0 | 0 | 0 | 110.4 | L13 K15 | L13-D23 HydrophobicContact CD1-CB 3.84Å; L13-D23 HydrophobicContact CG-CB 4.25Å; K15-D23 WeakPolarHBondContact CE-OD2 3.35Å; K15-D23 IonicContact NZ-OD2 3.86Å; K15-D23 PolarHBondContact NZ-OD2 3.17Å | ||
| 24 | L | 84.1 | Confident | 82.4 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 104.6 | -178.8 | 173.4 | 63.2 | 0 | 0 | 0 | 109 | V14 R22 L26 L41 V44 Y45 | V14-L24 HydrophobicContact CB-CB 4.35Å; V14-L24 PolarHBondContact N-O 3.02Å; V14-L24 PolarHBondContact O-N 2.79Å; R22-L24 PolarHBondContact O-N 2.98Å; R22-L24 VanDerWaalsContact O-N 3.16Å; L24-L26 HydrophobicContact CD2-CD2 4.28Å; L24-L26 HydrophobicContact CG-CD2 4.41Å; L24-L41 HydrophobicContact CD2-CD2 3.93Å; L24-V44 HydrophobicContact CD1-CG1 3.98Å; L24-V44 HydrophobicContact CD2-CB 4.47Å; L24-V44 HydrophobicContact CD2-CG1 3.94Å; L24-Y45 HydrophobicContact CD2-CD2 3.98Å |
| 25 | E | 87.4 | Confident | 82.3 | Confident | 103 Ų | 103 | 66.5 Ų | 66.5 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 126.9 | 168.3 | -170 | 157.9 | 130.9 | 0 | 0 | 110.1 | T11 L13 R79 | T11-E25 HydrophobicContact CG2-CG 3.47Å; T11-E25 VanDerWaalsContact CG2-CG 3.47Å; T11-E25 VanDerWaalsContact CG2-OE1 3.25Å; T11-E25 WeakPolarHBondContact CG2-OE1 3.21Å; L13-E25 HydrophobicContact CD1-CB 4.01Å; E25-R79 IonicContact OE2-CZ 3.24Å; E25-R79 IonicContact OE2-NE 3.44Å; E25-R79 PolarHBondContact OE2-NE 2.77Å; E25-R79 IonicContact OE2-NH2 3.8Å; E25-R79 PolarHBondContact OE2-NH2 3.29Å |
| 26 | L | 87.6 | Confident | 82.4 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 146.2 | 176.7 | 68.6 | 94.2 | 0 | 0 | 0 | 110.7 | L12 V14 L24 L37 L41 | L12-L26 HydrophobicContact CB-CD1 3.97Å; L12-L26 HydrophobicContact CB-CG 4.1Å; L12-L26 HydrophobicContact CD1-CD1 3.92Å; L12-L26 HydrophobicContact CG-CD1 4.41Å; L12-L26 PolarHBondContact N-O 3.23Å; L12-L26 PolarHBondContact O-N 3.27Å; V14-L26 HydrophobicContact CG2-CD2 3.79Å; L24-L26 HydrophobicContact CD2-CD2 4.28Å; L24-L26 HydrophobicContact CG-CD2 4.41Å; L26-L37 HydrophobicContact CD1-CD1 3.93Å; L26-L41 HydrophobicContact CD2-CD2 3.55Å; L26-L41 HydrophobicContact CD2-CG 4.17Å |
| 27 | S | 85.2 | Confident | 82.7 | Confident | 75 Ų | 75 | 66.5 Ų | 66.5 | 52% | 0.524 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.2 | 168.9 | -169.7 | 0 | 0 | 0 | 0 | 109 | ||
| 28 | G | 84.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 160.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V10 | V10-G28 VanDerWaalsContact CG1-O 3.27Å; V10-G28 WeakPolarHBondContact CG1-O 3.32Å; V10-G28 PolarHBondContact N-O 3.27Å; V10-G28 PolarHBondContact O-N 2.8Å; V10-G28 VanDerWaalsContact O-N 3.16Å |
| 29 | D | 88.5 | Confident | 84.6 | Confident | 43 Ų | 43 | 59.4 Ų | 59.4 | 23% | 0.23 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 142.5 | -178.3 | -46.8 | -55.3 | 0 | 0 | 0 | 111 | S31 W32 | D29-S31 WeakPolarHBondContact CB-OG 3.21Å; D29-S31 PolarHBondContact O-N 2.94Å; D29-S31 VanDerWaalsContact O-N 3.11Å; D29-W32 HydrophobicContact CB-CG 4.38Å; D29-W32 WeakPolarHBondContact O-CB 3.46Å; D29-W32 PolarHBondContact O-N 3.46Å; D29-W32 PolarHBondContact OD2-NE1 3.08Å |
| 30 | R | 86.2 | Confident | 85.6 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.2 | 175 | -64.3 | -179.3 | 111.9 | 125.9 | 17.6 | 113.4 | E8 V10 W32 R70 L73 P74 H80 | E8-R30 HydrophobicContact CB-CB 4.38Å; E8-R30 HydrophobicContact CB-CG 4.4Å; E8-R30 HydrophobicContact CG-CG 4.48Å; E8-R30 PolarHBondContact O-N 3.02Å; E8-R30 WeakPolarHBondContact OE1-CD 3.39Å; E8-R30 IonicContact OE1-CZ 2.83Å; E8-R30 IonicContact OE1-NE 2.67Å; E8-R30 IonicContact OE1-NH1 3.17Å; E8-R30 PolarHBondContact OE1-NH1 2.89Å; V10-R30 HydrophobicContact CB-CG 3.92Å; V10-R30 HydrophobicContact CG1-CG 3.68Å; R30-W32 VanDerWaalsContact C-N 3.28Å; R30-W32 PolarHBondContact O-N 2.88Å; R30-R70 HydrophobicContact CB-CB 4.18Å; R30-R70 WeakPolarHBondContact O-CB 3.49Å; R30-R70 WeakPolarHBondContact O-CG 3.35Å; R30-R70 PolarHBondContact O-N 3.44Å; R30-L73 PolarHBondContact NH2-O 2.83Å; R30-P74 VanDerWaalsContact NH2-C 3.26Å; R30-P74 PolarHBondContact NH2-O 3.28Å; R30-H80 PolarHBondContact NH2-NE2 2.87Å |
| 31 | S | 87 | Confident | 86.9 | Confident | 46 Ų | 46 | 45.3 Ų | 45.3 | 32% | 0.322 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -17.3 | 173.9 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | D29 | D29-S31 WeakPolarHBondContact CB-OG 3.21Å; D29-S31 PolarHBondContact O-N 2.94Å; D29-S31 VanDerWaalsContact O-N 3.11Å |
| 32 | W | 90.4 | Very high | 87.8 | Confident | 34 Ų | 34 | 44.5 Ų | 44.5 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | trans | -66.9 | 151.1 | -178.7 | -68.3 | 8.8 | 0 | 0 | 0 | 112.4 | D29 R30 H36 L37 H40 C68 L69 | D29-W32 HydrophobicContact CB-CG 4.38Å; D29-W32 WeakPolarHBondContact O-CB 3.46Å; D29-W32 PolarHBondContact O-N 3.46Å; D29-W32 PolarHBondContact OD2-NE1 3.08Å; R30-W32 VanDerWaalsContact C-N 3.28Å; R30-W32 PolarHBondContact O-N 2.88Å; W32-H36 HydrophobicContact CB-CB 4.36Å; W32-H36 AromaticContact CD1-ND1 3.64Å; W32-H36 AromaticContact CD2-CE1 3.88Å; W32-H36 AromaticContact CD2-ND1 3.21Å; W32-H36 AromaticContact CE2-CE1 3.71Å; W32-H36 AromaticContact CE2-ND1 3.52Å; W32-H36 AromaticContact CE3-ND1 3.68Å; W32-H36 AromaticContact CG-ND1 3.34Å; W32-H36 VanDerWaalsContact CG-ND1 3.34Å; W32-H36 AromaticContact NE1-CE1 3.93Å; W32-H36 AromaticContact NE1-ND1 3.74Å; W32-L37 HydrophobicContact CE3-CB 4.39Å; W32-L37 HydrophobicContact CE3-CD1 4.43Å; W32-L37 HydrophobicContact CZ3-CD1 4.36Å; W32-H40 HydrophobicContact CH2-CB 4.42Å; W32-H40 AromaticContact CH2-CE1 3.95Å; W32-H40 AromaticContact CH2-CG 3.97Å; W32-H40 AromaticContact CH2-ND1 3.53Å; W32-H40 HydrophobicContact CZ3-CB 3.91Å; W32-H40 AromaticContact CZ3-CG 3.85Å; W32-H40 AromaticContact CZ3-ND1 3.89Å; W32-C68 WeakPolarHBondContact O-CA 3.31Å; W32-L69 HydrophobicContact CB-CD1 4.27Å; W32-L69 HydrophobicContact CB-CD2 4.47Å; W32-L69 WeakPolarHBondContact O-CD1 3.43Å; W32-L69 PolarHBondContact O-N 3.21Å | ||
| 33 | S | 92.4 | Very high | 88.3 | Confident | 43 Ų | 43 | 40.8 Ų | 40.8 | 30% | 0.301 | 22% | 0.219 | S | C | . | . | B | Isolated β-bridge | trans | -81.8 | 157.3 | 161.5 | 67.3 | 0 | 0 | 0 | 0 | 111.2 | G35 H36 L37 Q67 | S33-G35 PolarHBondContact O-N 3.49Å; S33-H36 PolarHBondContact O-N 3.49Å; S33-H36 PolarHBondContact OG-N 3.27Å; S33-H36 VanDerWaalsContact OG-N 3.15Å; S33-L37 PolarHBondContact O-N 3.15Å; S33-Q67 WeakPolarHBondContact CA-O 3.41Å |
| 34 | V | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.6 | -35.9 | 171.6 | 170.5 | 0 | 0 | 0 | 0 | 111 | L37 K38 L56 L63 L64 Q67 L69 L72 | V34-L37 PolarHBondContact O-N 3.07Å; V34-K38 WeakPolarHBondContact O-CG 3.19Å; V34-K38 PolarHBondContact O-N 3.26Å; V34-L56 HydrophobicContact CG1-CD1 4.29Å; V34-L63 HydrophobicContact CG1-CB 3.82Å; V34-L63 HydrophobicContact CG2-CB 3.91Å; V34-L63 HydrophobicContact CG2-CD1 4.25Å; V34-L64 WeakPolarHBondContact CB-O 3.16Å; V34-Q67 HydrophobicContact CG2-CB 4.29Å; V34-Q67 WeakPolarHBondContact CG2-O 3.35Å; V34-Q67 PolarHBondContact N-O 2.88Å; V34-L69 HydrophobicContact CG2-CD1 4.33Å; V34-L72 HydrophobicContact CG2-CD1 3.69Å |
| 35 | G | 90.1 | Very high | 88.3 | Confident | 22 Ų | 22 | 39.5 Ų | 39.5 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S33 K38 A39 D65 | S33-G35 PolarHBondContact O-N 3.49Å; G35-K38 PolarHBondContact O-N 3.32Å; G35-A39 PolarHBondContact O-N 2.95Å; G35-D65 PolarHBondContact N-O 3.09Å |
| 36 | H | 90.7 | Very high | 87.9 | Confident | 79 Ų | 79 | 39 Ų | 39 | 37% | 0.366 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.8 | -41 | 175.4 | -169.4 | -116.9 | 0 | 0 | 0 | 111.8 | W32 S33 K38 A39 H40 | W32-H36 HydrophobicContact CB-CB 4.36Å; W32-H36 AromaticContact CD1-ND1 3.64Å; W32-H36 AromaticContact CD2-CE1 3.88Å; W32-H36 AromaticContact CD2-ND1 3.21Å; W32-H36 AromaticContact CE2-CE1 3.71Å; W32-H36 AromaticContact CE2-ND1 3.52Å; W32-H36 AromaticContact CE3-ND1 3.68Å; W32-H36 AromaticContact CG-ND1 3.34Å; W32-H36 VanDerWaalsContact CG-ND1 3.34Å; W32-H36 AromaticContact NE1-CE1 3.93Å; W32-H36 AromaticContact NE1-ND1 3.74Å; S33-H36 PolarHBondContact O-N 3.49Å; S33-H36 PolarHBondContact OG-N 3.27Å; S33-H36 VanDerWaalsContact OG-N 3.15Å; H36-K38 PolarHBondContact O-N 3.31Å; H36-A39 CarbonylContact O-C 3.53Å; H36-A39 PolarHBondContact O-N 3.48Å; H36-A39 VanDerWaalsContact O-N 3.17Å; H36-H40 PolarHBondContact O-N 2.97Å |
| 37 | L | 90.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | 173.1 | 176.6 | 60.5 | 0 | 0 | 0 | 112.1 | L12 L26 W32 S33 V34 A39 H40 L41 L56 L69 L82 | L12-L37 HydrophobicContact CD1-CD1 3.89Å; L12-L37 HydrophobicContact CD1-CD2 4.17Å; L26-L37 HydrophobicContact CD1-CD1 3.93Å; W32-L37 HydrophobicContact CE3-CB 4.39Å; W32-L37 HydrophobicContact CE3-CD1 4.43Å; W32-L37 HydrophobicContact CZ3-CD1 4.36Å; S33-L37 PolarHBondContact O-N 3.15Å; V34-L37 PolarHBondContact O-N 3.07Å; L37-A39 PolarHBondContact O-N 3.45Å; L37-H40 WeakPolarHBondContact O-CB 3.28Å; L37-H40 PolarHBondContact O-N 3.36Å; L37-H40 VanDerWaalsContact O-N 3.15Å; L37-L41 HydrophobicContact CD1-CD1 4.31Å; L37-L41 HydrophobicContact CD1-CG 4.5Å; L37-L41 HydrophobicContact CG-CD1 4.19Å; L37-L41 PolarHBondContact O-N 2.89Å; L37-L56 HydrophobicContact CD2-CD1 3.77Å; L37-L56 HydrophobicContact CG-CD1 3.99Å; L37-L69 HydrophobicContact CB-CD1 4.29Å; L37-L69 HydrophobicContact CD2-CD1 4.22Å; L37-L69 HydrophobicContact CD2-CD2 4.33Å; L37-L82 HydrophobicContact CD2-CD2 4.06Å |
| 38 | K | 91.6 | Very high | 87.1 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63 | -40 | 173.8 | -71.4 | 178.2 | 176.2 | -172.6 | 0 | 112.7 | V34 G35 H36 H40 L41 S42 P51 Q54 L56 D65 | V34-K38 WeakPolarHBondContact O-CG 3.19Å; V34-K38 PolarHBondContact O-N 3.26Å; G35-K38 PolarHBondContact O-N 3.32Å; H36-K38 PolarHBondContact O-N 3.31Å; K38-H40 VanDerWaalsContact C-N 3.26Å; K38-H40 PolarHBondContact O-N 2.85Å; K38-L41 PolarHBondContact O-N 3.16Å; K38-S42 PolarHBondContact O-N 3.12Å; K38-P51 HydrophobicContact CB-CB 4.05Å; K38-Q54 VanDerWaalsContact CA-OE1 3.25Å; K38-Q54 HydrophobicContact CD-CB 4.15Å; K38-Q54 WeakPolarHBondContact CE-O 3.28Å; K38-Q54 HydrophobicContact CG-CB 4.15Å; K38-Q54 PolarHBondContact NZ-O 3.35Å; K38-Q54 PolarHBondContact O-NE2 3.42Å; K38-Q54 PolarHBondContact O-OE1 3.11Å; K38-L56 HydrophobicContact CG-CD1 3.78Å; K38-L56 HydrophobicContact CG-CG 4.43Å; K38-D65 WeakPolarHBondContact CD-OD1 3Å; K38-D65 WeakPolarHBondContact CE-OD1 3.43Å; K38-D65 IonicContact NZ-OD1 2.78Å; K38-D65 PolarHBondContact NZ-OD1 3.4Å; K38-D65 IonicContact NZ-OD2 2.65Å |
| 39 | A | 89.8 | Confident | 87 | Confident | 31 Ų | 31 | 47.8 Ų | 47.8 | 26% | 0.256 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.1 | -18.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G35 H36 L37 S42 R43 | G35-A39 PolarHBondContact O-N 2.95Å; H36-A39 CarbonylContact O-C 3.53Å; H36-A39 PolarHBondContact O-N 3.48Å; H36-A39 VanDerWaalsContact O-N 3.17Å; L37-A39 PolarHBondContact O-N 3.45Å; A39-S42 PolarHBondContact O-OG 2.87Å; A39-R43 VanDerWaalsContact O-CZ 3.27Å; A39-R43 PolarHBondContact O-NE 3Å; A39-R43 PolarHBondContact O-NH2 2.84Å |
| 40 | H | 89.6 | Confident | 86.9 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 22% | 0.218 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -78.1 | -48.8 | 167.1 | -170.5 | 97.8 | 0 | 0 | 0 | 110.3 | W32 H36 L37 K38 S42 R43 V44 | W32-H40 HydrophobicContact CH2-CB 4.42Å; W32-H40 AromaticContact CH2-CE1 3.95Å; W32-H40 AromaticContact CH2-CG 3.97Å; W32-H40 AromaticContact CH2-ND1 3.53Å; W32-H40 HydrophobicContact CZ3-CB 3.91Å; W32-H40 AromaticContact CZ3-CG 3.85Å; W32-H40 AromaticContact CZ3-ND1 3.89Å; H36-H40 PolarHBondContact O-N 2.97Å; L37-H40 WeakPolarHBondContact O-CB 3.28Å; L37-H40 PolarHBondContact O-N 3.36Å; L37-H40 VanDerWaalsContact O-N 3.15Å; K38-H40 VanDerWaalsContact C-N 3.26Å; K38-H40 PolarHBondContact O-N 2.85Å; H40-S42 VanDerWaalsContact C-N 3.32Å; H40-S42 PolarHBondContact O-N 3.48Å; H40-R43 WeakPolarHBondContact O-CB 3.5Å; H40-R43 PolarHBondContact O-N 2.89Å; H40-V44 PolarHBondContact O-N 3.37Å |
| 41 | L | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.8 | -35.1 | 178.5 | -80.6 | 166 | 0 | 0 | 0 | 114 | V14 L24 L26 L37 K38 R43 V44 Y45 L56 L84 | V14-L41 HydrophobicContact CB-CD2 4.45Å; V14-L41 HydrophobicContact CG1-CD2 4.18Å; V14-L41 HydrophobicContact CG2-CD1 4.49Å; V14-L41 HydrophobicContact CG2-CD2 4.17Å; L24-L41 HydrophobicContact CD2-CD2 3.93Å; L26-L41 HydrophobicContact CD2-CD2 3.55Å; L26-L41 HydrophobicContact CD2-CG 4.17Å; L37-L41 HydrophobicContact CD1-CD1 4.31Å; L37-L41 HydrophobicContact CD1-CG 4.5Å; L37-L41 HydrophobicContact CG-CD1 4.19Å; L37-L41 PolarHBondContact O-N 2.89Å; K38-L41 PolarHBondContact O-N 3.16Å; L41-R43 PolarHBondContact O-N 3.17Å; L41-R43 VanDerWaalsContact O-N 3.13Å; L41-V44 PolarHBondContact O-N 3.45Å; L41-Y45 WeakPolarHBondContact O-CB 3.49Å; L41-Y45 PolarHBondContact O-N 2.76Å; L41-L56 HydrophobicContact CD1-CD1 4.12Å; L41-L56 HydrophobicContact CD1-CD2 3.8Å; L41-L56 HydrophobicContact CD1-CG 4.43Å; L41-L84 HydrophobicContact CD1-CD2 4.36Å; L41-L84 HydrophobicContact CD2-CD2 4.3Å |
| 42 | S | 87.9 | Confident | 86.9 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 19% | 0.189 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.5 | -18.2 | 175.3 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | K38 A39 H40 R48 P49 | K38-S42 PolarHBondContact O-N 3.12Å; A39-S42 PolarHBondContact O-OG 2.87Å; H40-S42 VanDerWaalsContact C-N 3.32Å; H40-S42 PolarHBondContact O-N 3.48Å; S42-R48 WeakPolarHBondContact O-CA 3.16Å; S42-R48 WeakPolarHBondContact O-CB 3.37Å; S42-P49 WeakPolarHBondContact CB-O 3.46Å |
| 43 | R | 86.4 | Confident | 86.7 | Confident | 161 Ų | 161 | 59.1 Ų | 59.1 | 61% | 0.608 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -96.6 | -39.8 | 177.2 | -70.8 | 174.3 | -81.3 | 179.5 | -2.8 | 112.7 | A39 H40 L41 | A39-R43 VanDerWaalsContact O-CZ 3.27Å; A39-R43 PolarHBondContact O-NE 3Å; A39-R43 PolarHBondContact O-NH2 2.84Å; H40-R43 WeakPolarHBondContact O-CB 3.5Å; H40-R43 PolarHBondContact O-N 2.89Å; L41-R43 PolarHBondContact O-N 3.17Å; L41-R43 VanDerWaalsContact O-N 3.13Å |
| 44 | V | 85.1 | Confident | 86.6 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 42% | 0.418 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -87.9 | -32.4 | -174.3 | -175.4 | 0 | 0 | 0 | 0 | 112.9 | L24 H40 L41 | L24-V44 HydrophobicContact CD1-CG1 3.98Å; L24-V44 HydrophobicContact CD2-CB 4.47Å; L24-V44 HydrophobicContact CD2-CG1 3.94Å; H40-V44 PolarHBondContact O-N 3.37Å; L41-V44 PolarHBondContact O-N 3.45Å |
| 45 | Y | 82.8 | Confident | 86.5 | Confident | 7 Ų | 7 | 63.9 Ų | 63.9 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -77.9 | 137.2 | -175.2 | -165.1 | -96.8 | 0 | 0 | 0 | 112.1 | S16 H21 L24 L41 E47 R48 P49 L84 | S16-Y45 WeakPolarHBondContact CB-OH 3.32Å; H21-Y45 HydrophobicContact CB-CE2 4.41Å; H21-Y45 AromaticContact CD2-CZ 3.84Å; H21-Y45 PolarHBondContact CD2-OH 2.85Å; L24-Y45 HydrophobicContact CD2-CD2 3.98Å; L41-Y45 WeakPolarHBondContact O-CB 3.49Å; L41-Y45 PolarHBondContact O-N 2.76Å; Y45-E47 HydrophobicContact CD1-CB 4.05Å; Y45-E47 HydrophobicContact CE1-CB 4.05Å; Y45-E47 HydrophobicContact CE1-CG 4.15Å; Y45-E47 PolarHBondContact O-N 2.93Å; Y45-R48 PolarHBondContact O-N 3.25Å; Y45-P49 HydrophobicContact CD1-CG 4.24Å; Y45-L84 HydrophobicContact CD1-CD2 4.4Å; Y45-L84 HydrophobicContact CD2-CD2 3.89Å; Y45-L84 HydrophobicContact CE2-CD2 4.02Å; Y45-L84 HydrophobicContact CG-CD2 4.08Å |
| 46 | P | 77.8 | Confident | 86.6 | Confident | 92 Ų | 92 | 62.8 Ų | 62.8 | 60% | 0.597 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -39 | -171.4 | -29.1 | 35.8 | 0 | 0 | 0 | 115.7 | R48 | P46-R48 PolarHBondContact O-N 3.46Š|
| 47 | E | 73.9 | Confident | 86.7 | Confident | 78 Ų | 78 | 61.5 Ų | 61.5 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -7 | 179.3 | -65.4 | 179.5 | 165 | 0 | 0 | 113.9 | H21 Y45 | H21-E47 IonicContact CD2-OE1 3.72Å; H21-E47 IonicContact CE1-OE1 2.7Å; H21-E47 WeakPolarHBondContact NE2-CG 3.48Å; H21-E47 IonicContact NE2-OE1 3.72Å; H21-E47 PolarHBondContact NE2-OE1 3.35Å; Y45-E47 HydrophobicContact CD1-CB 4.05Å; Y45-E47 HydrophobicContact CE1-CB 4.05Å; Y45-E47 HydrophobicContact CE1-CG 4.15Å; Y45-E47 PolarHBondContact O-N 2.93Å |
| 48 | R | 81.4 | Confident | 86.7 | Confident | 187 Ų | 187 | 62.3 Ų | 62.3 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | trans | 42.8 | 52.7 | -175.4 | -62 | -177.3 | 178.4 | 154.2 | 1 | 114.1 | S42 Y45 P46 | S42-R48 WeakPolarHBondContact O-CA 3.16Å; S42-R48 WeakPolarHBondContact O-CB 3.37Å; Y45-R48 PolarHBondContact O-N 3.25Å; P46-R48 PolarHBondContact O-N 3.46Å | ||
| 49 | P | 83.8 | Confident | 86.4 | Confident | 9 Ų | 9 | 66 Ų | 66 | 6% | 0.058 | 32% | 0.317 | C | S | . | . | trans | -63.2 | 138.6 | -176.2 | 29 | -37.2 | 0 | 0 | 0 | 111.4 | S42 Y45 Q54 C86 | S42-P49 WeakPolarHBondContact CB-O 3.46Å; Y45-P49 HydrophobicContact CD1-CG 4.24Å; P49-Q54 HydrophobicContact CB-CG 3.76Å; P49-Q54 HydrophobicContact CG-CG 3.7Å; P49-Q54 PolarHBondContact O-NE2 3.05Å; P49-C86 HydrophobicContact CB-CB 4.22Å | ||
| 50 | R | 86.5 | Confident | 86.2 | Confident | 164 Ų | 164 | 68.1 Ų | 68.1 | 62% | 0.619 | 34% | 0.342 | S | S | * | . | trans | -62.6 | 140.8 | 175 | -63.6 | -178 | 178.7 | -155.3 | 1 | 110.2 | E52 D53 Q54 | R50-E52 PolarHBondContact O-N 2.88Å; R50-E52 VanDerWaalsContact O-N 3.12Å; R50-D53 HydrophobicContact CB-CB 4.49Å; R50-D53 PolarHBondContact O-N 3.37Å; R50-Q54 WeakPolarHBondContact O-CG 3.42Å; R50-Q54 PolarHBondContact O-N 2.86Å; R50-Q54 VanDerWaalsContact O-N 3.14Å | ||
| 51 | P | 86.7 | Confident | 86.1 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 31% | 0.312 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -53.1 | -35.1 | 179.8 | -29.4 | 36.9 | 0 | 0 | 0 | 114.4 | K38 D53 Q54 | K38-P51 HydrophobicContact CB-CB 4.05Å; P51-D53 VanDerWaalsContact C-N 3.31Å; P51-D53 PolarHBondContact O-N 2.83Å; P51-Q54 PolarHBondContact O-N 3.43Å |
| 52 | E | 85.6 | Confident | 86.3 | Confident | 143 Ų | 143 | 77.5 Ų | 77.5 | 67% | 0.668 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -60 | -36.7 | 174.1 | -59.8 | 161.2 | -111.8 | 0 | 0 | 113.6 | R50 | R50-E52 PolarHBondContact O-N 2.88Å; R50-E52 VanDerWaalsContact O-N 3.12Å |
| 53 | D | 87.4 | Confident | 86.5 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 10% | 0.102 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -92.6 | -5.6 | -177 | -66.1 | -47.2 | 0 | 0 | 0 | 112.1 | R50 P51 N87 K89 | R50-D53 HydrophobicContact CB-CB 4.49Å; R50-D53 PolarHBondContact O-N 3.37Å; P51-D53 VanDerWaalsContact C-N 3.31Å; P51-D53 PolarHBondContact O-N 2.83Å; D53-N87 WeakPolarHBondContact CB-O 3.29Å; D53-N87 PolarHBondContact O-N 2.89Å; D53-K89 VanDerWaalsContact OD1-CE 3.31Å; D53-K89 WeakPolarHBondContact OD1-CE 3.32Å; D53-K89 IonicContact OD1-NZ 2.72Å; D53-K89 PolarHBondContact OD1-NZ 2.93Å |
| 54 | Q | 90.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 127.4 | 173.5 | -67.7 | 179.6 | 39.3 | 0 | 0 | 111.3 | K38 P49 R50 P51 L84 | K38-Q54 VanDerWaalsContact CA-OE1 3.25Å; K38-Q54 HydrophobicContact CD-CB 4.15Å; K38-Q54 WeakPolarHBondContact CE-O 3.28Å; K38-Q54 HydrophobicContact CG-CB 4.15Å; K38-Q54 PolarHBondContact NZ-O 3.35Å; K38-Q54 PolarHBondContact O-NE2 3.42Å; K38-Q54 PolarHBondContact O-OE1 3.11Å; P49-Q54 HydrophobicContact CB-CG 3.76Å; P49-Q54 HydrophobicContact CG-CG 3.7Å; P49-Q54 PolarHBondContact O-NE2 3.05Å; R50-Q54 WeakPolarHBondContact O-CG 3.42Å; R50-Q54 PolarHBondContact O-N 2.86Å; R50-Q54 VanDerWaalsContact O-N 3.14Å; P51-Q54 PolarHBondContact O-N 3.43Å; Q54-L84 HydrophobicContact CB-CD1 3.88Å; Q54-L84 HydrophobicContact CG-CD1 3.95Å |
| 55 | R | 90.4 | Very high | 86.9 | Confident | 142 Ų | 142 | 73 Ų | 73 | 54% | 0.536 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.5 | 165.8 | -61.7 | 179.2 | -177.6 | -172.2 | 0 | 109 | L62 V85 | R55-L62 HydrophobicContact CB-CD1 3.82Å; R55-L62 HydrophobicContact CG-CD1 4.31Å; R55-V85 HydrophobicContact CB-CB 4.22Å; R55-V85 PolarHBondContact N-O 3.37Å; R55-V85 PolarHBondContact O-N 3.33Å |
| 56 | L | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 132.5 | 175.5 | -75.6 | 169.1 | 0 | 0 | 0 | 109.4 | V34 L37 K38 L41 L63 L82 H83 L84 | V34-L56 HydrophobicContact CG1-CD1 4.29Å; L37-L56 HydrophobicContact CD2-CD1 3.77Å; L37-L56 HydrophobicContact CG-CD1 3.99Å; K38-L56 HydrophobicContact CG-CD1 3.78Å; K38-L56 HydrophobicContact CG-CG 4.43Å; L41-L56 HydrophobicContact CD1-CD1 4.12Å; L41-L56 HydrophobicContact CD1-CD2 3.8Å; L41-L56 HydrophobicContact CD1-CG 4.43Å; L56-L63 HydrophobicContact CB-CB 4.17Å; L56-L63 HydrophobicContact CB-CD1 4.25Å; L56-L63 HydrophobicContact CB-CG 4.42Å; L56-L63 PolarHBondContact O-N 2.91Å; L56-L82 HydrophobicContact CD2-CD2 4.38Å; L56-H83 WeakPolarHBondContact CA-O 3.26Å; L56-L84 HydrophobicContact CD2-CB 4.15Å; L56-L84 HydrophobicContact CD2-CD1 3.89Å; L56-L84 HydrophobicContact CG-CD1 4.3Å |
| 57 | I | 92 | Very high | 87.8 | Confident | 51 Ų | 51 | 78 Ų | 78 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.8 | 178.9 | -56 | 173 | 0 | 0 | 0 | 108.3 | K61 L62 L82 H83 V85 | I57-K61 CarbonylContact C-O 3.5Å; I57-K61 VanDerWaalsContact CA-O 3.3Å; I57-K61 WeakPolarHBondContact CA-O 3.01Å; I57-L62 HydrophobicContact CG1-CD1 4.32Å; I57-L82 CarbonylContact O-C 3.6Å; I57-L82 WeakPolarHBondContact O-CA 3.22Å; I57-H83 HydrophobicContact CB-CB 4.34Å; I57-H83 PolarHBondContact N-O 2.85Å; I57-H83 PolarHBondContact O-N 2.86Å; I57-V85 HydrophobicContact CD1-CG2 3.95Å |
| 58 | Y | 91.2 | Very high | 88.6 | Confident | 19 Ų | 19 | 75.4 Ų | 75.4 | 8% | 0.075 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 127.3 | 175.6 | 176 | -112 | 0 | 0 | 0 | 109 | G60 K61 L72 L73 P74 E77 H80 V81 L82 | Y58-G60 PolarHBondContact O-N 3.45Å; Y58-G60 VanDerWaalsContact O-N 3.16Å; Y58-K61 PolarHBondContact N-O 3.45Å; Y58-K61 WeakPolarHBondContact O-CB 3.33Å; Y58-K61 PolarHBondContact O-N 3Å; Y58-L72 VanDerWaalsContact CE1-O 3.24Å; Y58-L72 WeakPolarHBondContact CE1-O 3.46Å; Y58-L73 HydrophobicContact CD1-CD2 4.06Å; Y58-L73 HydrophobicContact CD2-CD2 4.14Å; Y58-L73 HydrophobicContact CE1-CD2 3.91Å; Y58-L73 HydrophobicContact CE2-CD2 4.03Å; Y58-L73 HydrophobicContact CG-CD2 4.18Å; Y58-P74 WeakPolarHBondContact OH-CD 3.38Å; Y58-E77 PolarHBondContact OH-OE2 3.41Å; Y58-H80 HydrophobicContact CE2-CB 3.82Å; Y58-V81 WeakPolarHBondContact CD2-O 3.34Å; Y58-L82 HydrophobicContact CD2-CD1 4.36Å; Y58-L82 HydrophobicContact CD2-CG 4.25Å |
| 59 | S | 84.7 | Confident | 88.9 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 64% | 0.643 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 47.8 | -178.3 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | K61 | S59-K61 VanDerWaalsContact C-N 3.25Å; S59-K61 PolarHBondContact O-N 3.39Å |
| 60 | G | 85.3 | Confident | 89 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 77% | 0.773 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | -9.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y58 | Y58-G60 PolarHBondContact O-N 3.45Å; Y58-G60 VanDerWaalsContact O-N 3.16Å |
| 61 | K | 88.9 | Confident | 89 | Confident | 154 Ų | 154 | 69.6 Ų | 69.6 | 67% | 0.67 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 132.4 | -177.6 | -61.7 | 177.7 | -176.8 | 174.3 | 0 | 111.8 | I57 Y58 S59 | I57-K61 CarbonylContact C-O 3.5Å; I57-K61 VanDerWaalsContact CA-O 3.3Å; I57-K61 WeakPolarHBondContact CA-O 3.01Å; Y58-K61 PolarHBondContact N-O 3.45Å; Y58-K61 WeakPolarHBondContact O-CB 3.33Å; Y58-K61 PolarHBondContact O-N 3Å; S59-K61 VanDerWaalsContact C-N 3.25Å; S59-K61 PolarHBondContact O-N 3.39Å |
| 62 | L | 91.8 | Very high | 88.9 | Confident | 89 Ų | 89 | 69 Ų | 69 | 47% | 0.466 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 125.1 | 171.1 | 179 | 67.7 | 0 | 0 | 0 | 110.3 | R55 I57 L64 | R55-L62 HydrophobicContact CB-CD1 3.82Å; R55-L62 HydrophobicContact CG-CD1 4.31Å; I57-L62 HydrophobicContact CG1-CD1 4.32Å; L62-L64 HydrophobicContact CD2-CD2 4.39Å; L62-L64 HydrophobicContact CG-CD2 4.49Å |
| 63 | L | 92.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 132.3 | 178.6 | -55.3 | -170.1 | 0 | 0 | 0 | 110.9 | V34 L56 L72 L82 | V34-L63 HydrophobicContact CG1-CB 3.82Å; V34-L63 HydrophobicContact CG2-CB 3.91Å; V34-L63 HydrophobicContact CG2-CD1 4.25Å; L56-L63 HydrophobicContact CB-CB 4.17Å; L56-L63 HydrophobicContact CB-CD1 4.25Å; L56-L63 HydrophobicContact CB-CG 4.42Å; L56-L63 PolarHBondContact O-N 2.91Å; L63-L72 HydrophobicContact CD1-CD1 4.17Å; L63-L72 HydrophobicContact CD2-CD1 3.75Å; L63-L72 HydrophobicContact CD2-CD2 3.74Å; L63-L72 HydrophobicContact CD2-CG 4.29Å; L63-L72 HydrophobicContact CG-CD1 4.41Å; L63-L82 HydrophobicContact CD1-CD2 3.89Å |
| 64 | L | 91.3 | Very high | 88.6 | Confident | 82 Ų | 82 | 64 Ų | 64 | 43% | 0.429 | 34% | 0.336 | S | S | . | . | trans | -106.8 | 144 | -179.6 | -51.4 | 175.6 | 0 | 0 | 0 | 110.5 | V34 L62 H66 Q67 | V34-L64 WeakPolarHBondContact CB-O 3.16Å; L62-L64 HydrophobicContact CD2-CD2 4.39Å; L62-L64 HydrophobicContact CG-CD2 4.49Å; L64-H66 PolarHBondContact O-N 2.87Å; L64-Q67 VanDerWaalsContact N-NE2 3.1Å; L64-Q67 WeakPolarHBondContact O-CB 3.29Å; L64-Q67 PolarHBondContact O-N 3.23Å | ||
| 65 | D | 89.9 | Confident | 88 | Confident | 73 Ų | 73 | 71 Ų | 71 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -24.7 | -163 | -58.5 | -14.2 | 0 | 0 | 0 | 115.4 | G35 K38 | G35-D65 PolarHBondContact N-O 3.09Å; K38-D65 WeakPolarHBondContact CD-OD1 3Å; K38-D65 WeakPolarHBondContact CE-OD1 3.43Å; K38-D65 IonicContact NZ-OD1 2.78Å; K38-D65 PolarHBondContact NZ-OD1 3.4Å; K38-D65 IonicContact NZ-OD2 2.65Å |
| 66 | H | 88.4 | Confident | 87.3 | Confident | 144 Ų | 144 | 73.3 Ų | 73.3 | 67% | 0.667 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -14.2 | 178.4 | 61.7 | -105.3 | 0 | 0 | 0 | 114.4 | L64 | L64-H66 PolarHBondContact O-N 2.87Š|
| 67 | Q | 90.4 | Very high | 86.6 | Confident | 61 Ų | 61 | 77.6 Ų | 77.6 | 29% | 0.285 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -77.2 | 143.8 | 180 | -63.9 | 178.7 | 83 | 0 | 0 | 110.1 | S33 V34 L64 L72 | S33-Q67 WeakPolarHBondContact CA-O 3.41Å; V34-Q67 HydrophobicContact CG2-CB 4.29Å; V34-Q67 WeakPolarHBondContact CG2-O 3.35Å; V34-Q67 PolarHBondContact N-O 2.88Å; L64-Q67 VanDerWaalsContact N-NE2 3.1Å; L64-Q67 WeakPolarHBondContact O-CB 3.29Å; L64-Q67 PolarHBondContact O-N 3.23Å; Q67-L72 HydrophobicContact CB-CD1 3.8Å; Q67-L72 HydrophobicContact CB-CG 4.37Å |
| 68 | C | 90.9 | Very high | 85.9 | Confident | 24 Ų | 24 | 83.9 Ų | 83.9 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -93.8 | 147.1 | 177.1 | -55.9 | 0 | 0 | 0 | 0 | 111 | W32 R70 D71 | W32-C68 WeakPolarHBondContact O-CA 3.31Å; C68-R70 VanDerWaalsContact C-N 3.32Å; C68-R70 HydrophobicContact CB-CG 3.72Å; C68-R70 PolarHBondContact O-N 2.85Å; C68-R70 PolarHBondContact SG-NH2 3.28Å; C68-D71 WeakPolarHBondContact CB-OD2 3.31Å; C68-D71 PolarHBondContact O-N 3.02Å |
| 69 | L | 87.4 | Confident | 85.6 | Confident | 5 Ų | 5 | 89.4 Ų | 89.4 | 3% | 0.026 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59.7 | -40.9 | -178.5 | -93.3 | 67.8 | 0 | 0 | 0 | 112.2 | L12 W32 V34 L37 D71 L72 L73 | L12-L69 HydrophobicContact CD1-CD2 3.72Å; W32-L69 HydrophobicContact CB-CD1 4.27Å; W32-L69 HydrophobicContact CB-CD2 4.47Å; W32-L69 WeakPolarHBondContact O-CD1 3.43Å; W32-L69 PolarHBondContact O-N 3.21Å; V34-L69 HydrophobicContact CG2-CD1 4.33Å; L37-L69 HydrophobicContact CB-CD1 4.29Å; L37-L69 HydrophobicContact CD2-CD1 4.22Å; L37-L69 HydrophobicContact CD2-CD2 4.33Å; L69-D71 PolarHBondContact O-N 2.83Å; L69-D71 VanDerWaalsContact O-N 3.16Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-L72 VanDerWaalsContact O-N 3.13Å; L69-L73 HydrophobicContact CB-CD1 3.88Å; L69-L73 HydrophobicContact CD2-CD1 4.03Å; L69-L73 HydrophobicContact CG-CD1 3.86Å; L69-L73 VanDerWaalsContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 WeakPolarHBondContact O-CG 3.37Å; L69-L73 PolarHBondContact O-N 2.96Å |
| 70 | R | 87.1 | Confident | 85.8 | Confident | 110 Ų | 110 | 85.1 Ų | 85.1 | 42% | 0.415 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -52.1 | -30.7 | 175.1 | 50 | 166.9 | 170.2 | -115.5 | -13.4 | 115.4 | R30 C68 | R30-R70 HydrophobicContact CB-CB 4.18Å; R30-R70 WeakPolarHBondContact O-CB 3.49Å; R30-R70 WeakPolarHBondContact O-CG 3.35Å; R30-R70 PolarHBondContact O-N 3.44Å; C68-R70 VanDerWaalsContact C-N 3.32Å; C68-R70 HydrophobicContact CB-CG 3.72Å; C68-R70 PolarHBondContact O-N 2.85Å; C68-R70 PolarHBondContact SG-NH2 3.28Å |
| 71 | D | 85.6 | Confident | 86 | Confident | 122 Ų | 122 | 84.1 Ų | 84.1 | 65% | 0.652 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -93.2 | -15.5 | -174.7 | -48.5 | -43.2 | 0 | 0 | 0 | 111.6 | C68 L69 | C68-D71 WeakPolarHBondContact CB-OD2 3.31Å; C68-D71 PolarHBondContact O-N 3.02Å; L69-D71 PolarHBondContact O-N 2.83Å; L69-D71 VanDerWaalsContact O-N 3.16Å |
| 72 | L | 84.1 | Confident | 86.1 | Confident | 35 Ų | 35 | 77 Ų | 77 | 18% | 0.183 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -101 | -32.8 | -177.3 | -71.5 | 168.2 | 0 | 0 | 0 | 113.1 | V34 Y58 L63 Q67 L69 | V34-L72 HydrophobicContact CG2-CD1 3.69Å; Y58-L72 VanDerWaalsContact CE1-O 3.24Å; Y58-L72 WeakPolarHBondContact CE1-O 3.46Å; L63-L72 HydrophobicContact CD1-CD1 4.17Å; L63-L72 HydrophobicContact CD2-CD1 3.75Å; L63-L72 HydrophobicContact CD2-CD2 3.74Å; L63-L72 HydrophobicContact CD2-CG 4.29Å; L63-L72 HydrophobicContact CG-CD1 4.41Å; Q67-L72 HydrophobicContact CB-CD1 3.8Å; Q67-L72 HydrophobicContact CB-CG 4.37Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-L72 VanDerWaalsContact O-N 3.13Å |
| 73 | L | 84.9 | Confident | 86.1 | Confident | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -107 | 112.5 | -167.3 | -62.9 | 178.3 | 0 | 0 | 0 | 110.8 | V10 L12 R30 Y58 L69 K75 H80 | V10-L73 HydrophobicContact CG1-CD1 4.23Å; L12-L73 HydrophobicContact CD2-CD1 3.69Å; R30-L73 PolarHBondContact NH2-O 2.83Å; Y58-L73 HydrophobicContact CD1-CD2 4.06Å; Y58-L73 HydrophobicContact CD2-CD2 4.14Å; Y58-L73 HydrophobicContact CE1-CD2 3.91Å; Y58-L73 HydrophobicContact CE2-CD2 4.03Å; Y58-L73 HydrophobicContact CG-CD2 4.18Å; L69-L73 HydrophobicContact CB-CD1 3.88Å; L69-L73 HydrophobicContact CD2-CD1 4.03Å; L69-L73 HydrophobicContact CG-CD1 3.86Å; L69-L73 VanDerWaalsContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 WeakPolarHBondContact O-CG 3.37Å; L69-L73 PolarHBondContact O-N 2.96Å; L73-K75 PolarHBondContact O-N 3.35Å; L73-H80 HydrophobicContact CD2-CB 3.91Å |
| 74 | P | 82.8 | Confident | 86.1 | Confident | 54 Ų | 54 | 76.3 Ų | 76.3 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | trans | -58.5 | 132.5 | -175.1 | -25 | 34.5 | 0 | 0 | 0 | 113.8 | R30 Y58 Q76 E77 H80 | R30-P74 VanDerWaalsContact NH2-C 3.26Å; R30-P74 PolarHBondContact NH2-O 3.28Å; Y58-P74 WeakPolarHBondContact OH-CD 3.38Å; P74-Q76 PolarHBondContact O-N 3.22Å; P74-E77 PolarHBondContact O-N 2.96Å; P74-H80 PolarHBondContact O-CE1 3Å | ||
| 75 | K | 78 | Confident | 86 | Confident | 148 Ų | 148 | 74.9 Ų | 74.9 | 64% | 0.643 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.1 | -176.7 | -68.8 | -159.4 | 172.4 | -145.6 | 0 | 115.5 | E8 L73 | E8-K75 IonicContact OE2-NZ 3.42Å; E8-K75 PolarHBondContact OE2-NZ 3.39Å; L73-K75 PolarHBondContact O-N 3.35Å |
| 76 | Q | 75.3 | Confident | 85.8 | Confident | 190 Ų | 190 | 72.7 Ų | 72.7 | 89% | 0.888 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -28 | -178.9 | -68.9 | 161 | -32.5 | 0 | 0 | 112.9 | P74 | P74-Q76 PolarHBondContact O-N 3.22Š|
| 77 | E | 77.4 | Confident | 85.3 | Confident | 89 Ų | 89 | 69.7 Ų | 69.7 | 42% | 0.416 | 33% | 0.334 | S | S | . | . | trans | -86.8 | 140.7 | 175.9 | -79 | 167.1 | -154.6 | 0 | 0 | 110.5 | Y58 P74 H80 | Y58-E77 PolarHBondContact OH-OE2 3.41Å; P74-E77 PolarHBondContact O-N 2.96Å; E77-H80 WeakPolarHBondContact CB-CE1 3.14Å; E77-H80 IonicContact OE2-CE1 3.53Å; E77-H80 PolarHBondContact OE2-CE1 3.23Å; E77-H80 IonicContact OE2-CG 3.04Å; E77-H80 IonicContact OE2-ND1 2.63Å; E77-H80 PolarHBondContact OE2-ND1 3.47Å | ||
| 78 | K | 76.1 | Confident | 84.1 | Confident | 183 Ų | 183 | 71.7 Ų | 71.7 | 80% | 0.796 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -96.3 | -22.6 | 172.4 | -65.9 | -174.7 | 178.5 | -178.9 | 0 | 113.7 | T11 | T11-K78 WeakPolarHBondContact CB-O 3.29Å; T11-K78 PolarHBondContact N-O 2.97Å |
| 79 | R | 84.4 | Confident | 82.7 | Confident | 136 Ų | 136 | 76.9 Ų | 76.9 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 117.5 | -174.4 | -171.5 | 176.8 | -168.4 | -128.2 | 11.7 | 108.7 | T11 E25 | T11-R79 HydrophobicContact CG2-CB 4.48Å; T11-R79 HydrophobicContact CG2-CG 3.91Å; T11-R79 VanDerWaalsContact O-CA 3.32Å; T11-R79 WeakPolarHBondContact O-CA 3.47Å; E25-R79 IonicContact OE2-CZ 3.24Å; E25-R79 IonicContact OE2-NE 3.44Å; E25-R79 PolarHBondContact OE2-NE 2.77Å; E25-R79 IonicContact OE2-NH2 3.8Å; E25-R79 PolarHBondContact OE2-NH2 3.29Å |
| 80 | H | 89.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.005 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 141.7 | -176.8 | -53.1 | -75.8 | 0 | 0 | 0 | 111 | V10 T11 L12 L13 R30 Y58 L73 P74 E77 L82 | V10-H80 WeakPolarHBondContact CG2-CD2 3.46Å; V10-H80 WeakPolarHBondContact CG2-NE2 3.4Å; T11-H80 PolarHBondContact O-N 2.99Å; L12-H80 HydrophobicContact CD2-CB 4.32Å; L13-H80 PolarHBondContact N-O 2.84Å; R30-H80 PolarHBondContact NH2-NE2 2.87Å; Y58-H80 HydrophobicContact CE2-CB 3.82Å; L73-H80 HydrophobicContact CD2-CB 3.91Å; P74-H80 PolarHBondContact O-CE1 3Å; E77-H80 WeakPolarHBondContact CB-CE1 3.14Å; E77-H80 IonicContact OE2-CE1 3.53Å; E77-H80 PolarHBondContact OE2-CE1 3.23Å; E77-H80 IonicContact OE2-CG 3.04Å; E77-H80 IonicContact OE2-ND1 2.63Å; E77-H80 PolarHBondContact OE2-ND1 3.47Å; H80-L82 HydrophobicContact CB-CD1 4.22Å |
| 81 | V | 90.6 | Very high | 79 | Confident | 55 Ų | 55 | 82.1 Ų | 82.1 | 33% | 0.333 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 117.6 | -177.5 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | L13 K15 Y58 | L13-V81 HydrophobicContact CD2-CG2 4.23Å; L13-V81 WeakPolarHBondContact O-CA 3.35Å; K15-V81 HydrophobicContact CD-CG1 3.73Å; K15-V81 HydrophobicContact CG-CG1 3.8Å; Y58-V81 WeakPolarHBondContact CD2-O 3.34Å |
| 82 | L | 91.6 | Very high | 76.6 | Confident | 3 Ų | 3 | 81.6 Ų | 81.6 | 2% | 0.016 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 140.7 | 177.5 | -69.6 | 84.5 | 0 | 0 | 0 | 109.9 | L12 L13 V14 K15 L37 L56 I57 Y58 L63 H80 | L12-L82 HydrophobicContact CB-CD1 4.3Å; L12-L82 HydrophobicContact CD2-CD1 3.9Å; L13-L82 PolarHBondContact O-N 3.32Å; V14-L82 CarbonylContact C-O 3.54Å; V14-L82 VanDerWaalsContact CA-O 3.32Å; V14-L82 WeakPolarHBondContact CA-O 3.31Å; V14-L82 HydrophobicContact CG2-CB 4.47Å; K15-L82 PolarHBondContact N-O 3.11Å; L37-L82 HydrophobicContact CD2-CD2 4.06Å; L56-L82 HydrophobicContact CD2-CD2 4.38Å; I57-L82 CarbonylContact O-C 3.6Å; I57-L82 WeakPolarHBondContact O-CA 3.22Å; Y58-L82 HydrophobicContact CD2-CD1 4.36Å; Y58-L82 HydrophobicContact CD2-CG 4.25Å; L63-L82 HydrophobicContact CD1-CD2 3.89Å; H80-L82 HydrophobicContact CB-CD1 4.22Å |
| 83 | H | 91.6 | Very high | 74.2 | Confident | 81 Ų | 81 | 89.6 Ų | 89.6 | 38% | 0.375 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.4 | 174.1 | -62.9 | -107.5 | 0 | 0 | 0 | 109.7 | K15 L56 I57 | K15-H83 WeakPolarHBondContact O-CA 3.37Å; L56-H83 WeakPolarHBondContact CA-O 3.26Å; I57-H83 HydrophobicContact CB-CB 4.34Å; I57-H83 PolarHBondContact N-O 2.85Å; I57-H83 PolarHBondContact O-N 2.86Å |
| 84 | L | 90.5 | Very high | 72 | Confident | 1 Ų | 1 | 97.2 Ų | 97.2 | 1% | 0.005 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 106.3 | 179.4 | 175.3 | 61.9 | 0 | 0 | 0 | 110.8 | V14 K15 P17 L41 Y45 Q54 L56 | V14-L84 HydrophobicContact CG1-CB 3.49Å; V14-L84 VanDerWaalsContact CG1-CB 3.49Å; V14-L84 HydrophobicContact CG1-CD2 4.06Å; V14-L84 HydrophobicContact CG1-CG 4.41Å; K15-L84 PolarHBondContact O-N 3.26Å; P17-L84 WeakPolarHBondContact CD-O 3.48Å; L41-L84 HydrophobicContact CD1-CD2 4.36Å; L41-L84 HydrophobicContact CD2-CD2 4.3Å; Y45-L84 HydrophobicContact CD1-CD2 4.4Å; Y45-L84 HydrophobicContact CD2-CD2 3.89Å; Y45-L84 HydrophobicContact CE2-CD2 4.02Å; Y45-L84 HydrophobicContact CG-CD2 4.08Å; Q54-L84 HydrophobicContact CB-CD1 3.88Å; Q54-L84 HydrophobicContact CG-CD1 3.95Å; L56-L84 HydrophobicContact CD2-CB 4.15Å; L56-L84 HydrophobicContact CD2-CD1 3.89Å; L56-L84 HydrophobicContact CG-CD1 4.3Å |
| 85 | V | 89 | Confident | 69.9 | Low | 53 Ų | 53 | 99.6 Ų | 99.6 | 32% | 0.321 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 112 | 172.3 | -166.1 | 0 | 0 | 0 | 0 | 109.1 | P17 R55 I57 | P17-V85 HydrophobicContact CG-CB 4.32Å; P17-V85 HydrophobicContact CG-CG1 4.48Å; P17-V85 HydrophobicContact CG-CG2 3.81Å; R55-V85 HydrophobicContact CB-CB 4.22Å; R55-V85 PolarHBondContact N-O 3.37Å; R55-V85 PolarHBondContact O-N 3.33Å; I57-V85 HydrophobicContact CD1-CG2 3.95Å |
| 86 | C | 85.7 | Confident | 68 | Low | 26 Ų | 26 | 101 Ų | 101 | 18% | 0.176 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 108.5 | 172.8 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | P49 V88 | P49-C86 HydrophobicContact CB-CB 4.22Å; C86-V88 VanDerWaalsContact C-N 3.32Å; C86-V88 PolarHBondContact O-N 3.22Å; C86-V88 VanDerWaalsContact O-N 3.09Å |
| 87 | N | 78.8 | Confident | 66.1 | Low | 81 Ų | 81 | 97.8 Ų | 97.8 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | trans | -84.1 | 74.5 | 172.8 | -173.7 | 82.9 | 0 | 0 | 0 | 110.4 | D53 K89 | D53-N87 WeakPolarHBondContact CB-O 3.29Å; D53-N87 PolarHBondContact O-N 2.89Å; N87-K89 PolarHBondContact O-N 3Å | ||
| 88 | V | 66.2 | Low | 64.3 | Low | 104 Ų | 104 | 98.3 Ų | 98.3 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | trans | -61.9 | 94.2 | 175.9 | -88.2 | 0 | 0 | 0 | 0 | 111.2 | C86 S90 | C86-V88 VanDerWaalsContact C-N 3.32Å; C86-V88 PolarHBondContact O-N 3.22Å; C86-V88 VanDerWaalsContact O-N 3.09Å; V88-S90 PolarHBondContact O-N 3.01Å | ||
| 89 | K | 61.6 | Low | 62.5 | Low | 133 Ų | 133 | 95.6 Ų | 95.6 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | trans | -60.2 | 104.2 | 157 | -66.5 | 170.8 | -174.1 | 129 | 0 | 106.7 | D53 N87 | D53-K89 VanDerWaalsContact OD1-CE 3.31Å; D53-K89 WeakPolarHBondContact OD1-CE 3.32Å; D53-K89 IonicContact OD1-NZ 2.72Å; D53-K89 PolarHBondContact OD1-NZ 2.93Å; N87-K89 PolarHBondContact O-N 3Å | ||
| 90 | S | 46.3 | Very low | 60.2 | Low | 102 Ų | 102 | 98.5 Ų | 98.5 | 71% | 0.713 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -56 | 129 | 167.8 | 40.9 | 0 | 0 | 0 | 0 | 108.1 | V88 S92 | V88-S90 PolarHBondContact O-N 3.01Å; S90-S92 PolarHBondContact O-N 2.93Å |
| 91 | P | 48.6 | Very low | 57.7 | Low | 123 Ų | 123 | 104.9 Ų | 104.9 | 80% | 0.799 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 119 | 172.6 | 25.5 | -32.1 | 0 | 0 | 0 | 107 | K93 | P91-K93 PolarHBondContact O-N 2.93Š|
| 92 | S | 35.3 | Very low | 55 | Low | 110 Ų | 110 | 106.1 Ų | 106.1 | 77% | 0.769 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 127.4 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | S90 M94 | S90-S92 PolarHBondContact O-N 2.93Å; S92-M94 PolarHBondContact O-N 2.85Å |
| 93 | K | 35.6 | Very low | 52 | Low | 203 Ų | 203 | 114.6 Ų | 114.6 | 88% | 0.883 | 64% | 0.638 | S | S | * | * | trans | -67.2 | 84.4 | 167.3 | -92.9 | -170.4 | 169.1 | -173.1 | 0 | 107.8 | P91 P95 | P91-K93 PolarHBondContact O-N 2.93Å; K93-P95 WeakPolarHBondContact O-CD 3.4Å | ||
| 94 | M | 38.1 | Very low | 49.1 | Very low | 166 Ų | 166 | 115.2 Ų | 115.2 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | -62.4 | 123.3 | 167.7 | -159.6 | 169.6 | 85.7 | 0 | 0 | 107.3 | S92 E96 | S92-M94 PolarHBondContact O-N 2.85Å; M94-E96 PolarHBondContact O-N 2.63Å | ||
| 95 | P | 39.2 | Very low | 46.2 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | trans | -60.6 | 136.1 | 178.6 | -24.5 | 35.2 | 0 | 0 | 0 | 111 | K93 V97 | K93-P95 WeakPolarHBondContact O-CD 3.4Å; P95-V97 PolarHBondContact O-N 3.04Å | ||
| 96 | E | 36.8 | Very low | 43.4 | Very low | 179 Ų | 179 | 127.2 Ų | 127.2 | 84% | 0.836 | 71% | 0.712 | S | S | * | * | trans | -74.2 | 85.5 | -179.8 | -172.2 | 177.2 | 174.4 | 0 | 0 | 110.3 | M94 S98 | M94-E96 PolarHBondContact O-N 2.63Å; E96-S98 VanDerWaalsContact C-N 3.32Å; E96-S98 PolarHBondContact O-N 3.43Å | ||
| 97 | V | 35.1 | Very low | 40.7 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | -80.4 | 82.2 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | P95 V99 | P95-V97 PolarHBondContact O-N 3.04Å; V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 HydrophobicContact CG1-CG2 4.21Å; V97-V99 PolarHBondContact O-N 2.96Å; V97-V99 VanDerWaalsContact O-N 3.08Å | ||
| 98 | S | 40.4 | Very low | 38.9 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -81.2 | 68 | 177.8 | 47 | 0 | 0 | 0 | 0 | 112.4 | E96 | E96-S98 VanDerWaalsContact C-N 3.32Å; E96-S98 PolarHBondContact O-N 3.43Å | ||
| 99 | V | 38.6 | Very low | 37 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | -116 | 111.1 | 173.2 | -171.3 | 0 | 0 | 0 | 0 | 112.5 | V97 | V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 HydrophobicContact CG1-CG2 4.21Å; V97-V99 PolarHBondContact O-N 2.96Å; V97-V99 VanDerWaalsContact O-N 3.08Å | ||
| 100 | K | 36.3 | Very low | 35.4 | Very low | 197 Ų | 197 | 133.4 Ų | 133.4 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -42.9 | 143.5 | 172.5 | 179.9 | -175.9 | 177.3 | -170 | 0 | 115.6 | ||||
| 101 | V | 35.8 | Very low | 34.6 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -73.7 | 132.6 | 170.3 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 102 | A | 33.8 | Very low | 33.6 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | 172 | 124.3 | 132.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 103 | E | 29.5 | Very low | 33.3 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | 48.6 | 121.3 | 138.7 | -72.1 | -170.7 | 99.9 | 0 | 0 | 124.8 | ||||
| 104 | S | 30.2 | Very low | 32.9 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | 92.7 | 114 | 118.3 | -64.9 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 105 | T | 29.9 | Very low | 32.5 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | 98.8 | 130.1 | 127.1 | -58.7 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 106 | E | 29.6 | Very low | 32 | Very low | 189 Ų | 189 | 141 Ų | 141 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | 77.3 | 133.5 | 155.8 | -81.7 | 165.5 | 157.5 | 0 | 0 | 125.5 | ||||
| 107 | Q | 29 | Very low | 32.7 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -86.3 | 170.3 | 158.7 | -99.2 | -179.4 | -100.6 | 0 | 0 | 109 | ||||
| 108 | P | 41.1 | Very low | 32.6 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | -155.8 | 168.2 | 40.8 | 42.7 | -20.3 | 0 | 0 | 0 | 121.1 | ||||
| 109 | A | 26.8 | Very low | 32 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | 49.3 | 126.2 | 138.7 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 110 | G | 26.6 | Very low | 31.7 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | 95.1 | 163.4 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 111 | S | 29.5 | Very low | 31.4 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | cis | -169.5 | 116.8 | -18.7 | -176.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 112 | N | 28.8 | Very low | 31.4 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 60.4 | 161.2 | 150.8 | -70.9 | -76.2 | 0 | 0 | 0 | 123.5 | ||||
| 113 | R | 27.8 | Very low | 31.4 | Very low | 236 Ų | 236 | 139.3 Ų | 139.3 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | 77.9 | 127 | 161.5 | -157.4 | -177.7 | -163.5 | 163.3 | 4.1 | 117.1 | ||||
| 114 | G | 28.7 | Very low | 31.6 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | cis | 123 | 105.4 | -15.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 115 | Q | 29.2 | Very low | 32 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -167.9 | 145 | 162.2 | -114.1 | 158.1 | -27.4 | 0 | 0 | 113.8 | ||||
| 116 | Y | 28.8 | Very low | 32.3 | Very low | 224 Ų | 224 | 142.6 Ų | 142.6 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -107.6 | 176.9 | 163.3 | -89.6 | -78 | 0 | 0 | 0 | 107.5 | ||||
| 117 | P | 51.3 | Low | 32.4 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 60% | 0.604 | 79% | 0.79 | S | S | * | * | cis | -143.8 | -176.1 | 22.2 | 45.7 | -26.6 | 0 | 0 | 0 | 117.9 | ||||
| 118 | E | 32.3 | Very low | 32.6 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 55 | 152.2 | 145.9 | -74 | 157.4 | 134.2 | 0 | 0 | 120.4 | ||||
| 119 | D | 29.4 | Very low | 32.1 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | cis | -154.2 | 174.7 | 15.1 | -154.6 | -8.7 | 0 | 0 | 0 | 113 | ||||
| 120 | S | 30.5 | Very low | 32.5 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 76.2 | 144.2 | 157.2 | -169.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 121 | S | 31.6 | Very low | 32.7 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -170 | 173.1 | -26.3 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 122 | S | 35.7 | Very low | 32.7 | Very low | 113 Ų | 113 | 153 Ų | 153 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 65.1 | 123.9 | -175.8 | 67.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 123 | D | 34.2 | Very low | 32.8 | Very low | 172 Ų | 172 | 152.5 Ų | 152.5 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | cis | 111.5 | 146.9 | 16.3 | -169.6 | 32.7 | 0 | 0 | 0 | 112.9 | ||||
| 124 | G | 33.7 | Very low | 32.9 | Very low | 69 Ų | 69 | 149.7 Ų | 149.7 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 117 | 68.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 125 | L | 38.5 | Very low | 32.9 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -94.6 | 146.5 | 168 | -70.4 | 171.7 | 0 | 0 | 0 | 112.4 | ||||
| 126 | R | 34.9 | Very low | 32.8 | Very low | 230 Ų | 230 | 148.2 Ų | 148.2 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | 129.9 | 141.8 | 133.8 | -71.9 | -168 | 172.7 | 161.8 | 0.3 | 118.8 | ||||
| 127 | Q | 31.9 | Very low | 33.4 | Very low | 159 Ų | 159 | 143 Ų | 143 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | 80.7 | 103.3 | 153.7 | -61.6 | -86.4 | 41.3 | 0 | 0 | 121.3 | ||||
| 128 | R | 33.7 | Very low | 32.4 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | 50 | 143.7 | 106.1 | -168 | 177.5 | 168.5 | 109.2 | 18.7 | 121.8 | |||||
| 129 | E | 31.2 | Very low | 32.4 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 61% | 0.612 | 79% | 0.787 | S | S | * | * | trans | 109.6 | 104.8 | 149.8 | -132.1 | 86.8 | -105.9 | 0 | 0 | 119 | ||||
| 130 | V | 33.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 51.3 | 118.7 | 135 | 178.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 131 | L | 32.4 | Very low | 32.7 | Very low | 146 Ų | 146 | 151 Ų | 151 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 62.9 | 113.7 | 144.7 | -169.7 | 77.6 | 0 | 0 | 0 | 120.9 | ||||
| 132 | R | 29 | Very low | 32.8 | Very low | 234 Ų | 234 | 153.7 Ų | 153.7 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | -165.4 | 159.4 | 125.9 | -109.2 | 164.1 | -173 | -173.6 | 1.9 | 113.9 | |||||
| 133 | N | 30 | Very low | 33 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -62.3 | 147.7 | -170.5 | -52.9 | -19.3 | 0 | 0 | 0 | 114.4 | ||||
| 134 | L | 30.9 | Very low | 33.3 | Very low | 177 Ų | 177 | 155.3 Ų | 155.3 | 93% | 0.927 | 78% | 0.777 | S | S | * | * | trans | -112.3 | 161.3 | 142.7 | -86.6 | 83.9 | 0 | 0 | 0 | 109.1 | ||||
| 135 | S | 28.6 | Very low | 33.6 | Very low | 115 Ų | 115 | 157.2 Ų | 157.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -131.3 | -177.7 | -166.1 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 136 | S | 26.2 | Very low | 33.7 | Very low | 105 Ų | 105 | 157.3 Ų | 157.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | 85.7 | 150.4 | 171.9 | -141.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 137 | P | 41.4 | Very low | 34 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | cis | -120.3 | 135.1 | 2.1 | 37.8 | -23.3 | 0 | 0 | 0 | 116.6 | ||||
| 138 | E | 31.7 | Very low | 34.5 | Very low | 170 Ų | 170 | 147 Ų | 147 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | 12.5 | 115.4 | 123.2 | -153.5 | 170 | 132.1 | 0 | 0 | 118.9 | |||||
| 139 | W | 31.8 | Very low | 34.8 | Very low | 236 Ų | 236 | 145 Ų | 145 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | trans | -143.1 | 112.6 | 147.7 | 177.9 | -82.7 | 0 | 0 | 0 | 108.2 | ||||
| 140 | E | 34.3 | Very low | 35.2 | Very low | 144 Ų | 144 | 147 Ų | 147 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | trans | -98 | 166.6 | -175.3 | -72.7 | -151.8 | 142.1 | 0 | 0 | 114.4 | ||||
| 141 | N | 32 | Very low | 35.7 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 61.4 | 92.1 | 160.2 | -92.1 | -71.4 | 0 | 0 | 0 | 118.5 | ||||
| 142 | I | 33.4 | Very low | 36.3 | Very low | 160 Ų | 160 | 146.2 Ų | 146.2 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | trans | -114.4 | 122 | 140.3 | -65.7 | 174.7 | 0 | 0 | 0 | 107.2 | R144 | I142-R144 PolarHBondContact O-N 3.02Š| ||
| 143 | S | 40.3 | Very low | 36.8 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 116.2 | -176.4 | -46.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 144 | R | 40.2 | Very low | 37.2 | Very low | 211 Ų | 211 | 140.1 Ų | 140.1 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 131.7 | 172.3 | 176.4 | 176.1 | -75.1 | -169 | -3.7 | 109.8 | I142 E146 | I142-R144 PolarHBondContact O-N 3.02Å; R144-E146 PolarHBondContact O-N 2.96Å |
| 145 | P | 40 | Very low | 37.7 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 119.1 | 175.6 | 27.7 | -33.7 | 0 | 0 | 0 | 111.1 | A147 | P145-A147 VanDerWaalsContact C-N 3.27Å; P145-A147 PolarHBondContact O-N 3.22Å |
| 146 | E | 39.6 | Very low | 38.1 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -75.6 | -12.4 | -171.2 | -148.1 | 164.2 | 134.2 | 0 | 0 | 114.1 | R144 A148 Q149 | R144-E146 PolarHBondContact O-N 2.96Å; E146-A148 PolarHBondContact O-N 3.22Å; E146-A148 VanDerWaalsContact O-N 3.09Å; E146-Q149 PolarHBondContact O-N 3.44Å |
| 147 | A | 42.1 | Very low | 39.1 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -62.2 | -18.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | P145 | P145-A147 VanDerWaalsContact C-N 3.27Å; P145-A147 PolarHBondContact O-N 3.22Å |
| 148 | A | 41.4 | Very low | 39.1 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -80.5 | -18.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E146 | E146-A148 PolarHBondContact O-N 3.22Å; E146-A148 VanDerWaalsContact O-N 3.09Å |
| 149 | Q | 40.7 | Very low | 39.6 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -84.3 | -13.3 | -170.7 | -67.6 | -160.6 | -45.5 | 0 | 0 | 115 | E146 A151 | E146-Q149 PolarHBondContact O-N 3.44Å; Q149-A151 VanDerWaalsContact C-N 3.35Å; Q149-A151 PolarHBondContact O-N 2.94Å |
| 150 | Q | 39.9 | Very low | 40.4 | Very low | 173 Ų | 173 | 133 Ų | 133 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -81.6 | -9.9 | -175.2 | -67.9 | -178.3 | -17.9 | 0 | 0 | 114.3 | F152 | Q150-F152 PolarHBondContact O-N 3.48Š|
| 151 | A | 43.9 | Very low | 40.9 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -81.2 | -9.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116 | Q149 | Q149-A151 VanDerWaalsContact C-N 3.35Å; Q149-A151 PolarHBondContact O-N 2.94Å |
| 152 | F | 44.6 | Very low | 41.9 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -143.6 | 39.7 | -169.9 | -135 | -100.6 | 0 | 0 | 0 | 116 | Q150 G154 L155 | Q150-F152 PolarHBondContact O-N 3.48Å; F152-G154 PolarHBondContact O-N 2.9Å; F152-L155 HydrophobicContact CE1-CB 4.22Å; F152-L155 HydrophobicContact CE1-CD1 3.85Å; F152-L155 HydrophobicContact CZ-CD1 4.11Å |
| 153 | Q | 39.8 | Very low | 42.8 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -71.9 | 48.5 | 169.2 | -80.1 | -81.4 | 27.5 | 0 | 0 | 112.6 | ||||
| 154 | G | 39.3 | Very low | 43.7 | Very low | 61 Ų | 61 | 131.2 Ų | 131.2 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | -150 | 18.4 | -155.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | F152 | F152-G154 PolarHBondContact O-N 2.9Š| ||
| 155 | L | 41.1 | Very low | 44.7 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -153 | 110.4 | 174.6 | -111.6 | 163.2 | 0 | 0 | 0 | 113.4 | F152 | F152-L155 HydrophobicContact CE1-CB 4.22Å; F152-L155 HydrophobicContact CE1-CD1 3.85Å; F152-L155 HydrophobicContact CZ-CD1 4.11Å |
| 156 | G | 37 | Very low | 46.2 | Very low | 63 Ų | 63 | 125.5 Ų | 125.5 | 65% | 0.649 | 73% | 0.734 | S | S | * | * | trans | 48.7 | 109.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | G158 | G156-G158 PolarHBondContact O-N 3.48Š| ||
| 157 | P | 45.6 | Very low | 47.7 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 96% | 0.961 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 112.9 | 167.8 | 30.1 | -32.8 | 0 | 0 | 0 | 110.6 | ||
| 158 | G | 41.7 | Very low | 49.6 | Very low | 64 Ų | 64 | 128 Ų | 128 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.2 | -30.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116 | G156 | G156-G158 PolarHBondContact O-N 3.48Š|
| 159 | F | 43.2 | Very low | 51.4 | Low | 218 Ų | 218 | 130.1 Ų | 130.1 | 96% | 0.956 | 72% | 0.721 | S | S | * | * | trans | -125.3 | 84.5 | -176.7 | -65.2 | -81.1 | 0 | 0 | 0 | 111.9 | ||||
| 160 | S | 47.8 | Very low | 53.4 | Low | 130 Ų | 130 | 127.8 Ų | 127.8 | 91% | 0.909 | 71% | 0.713 | S | S | * | * | trans | -127.5 | 118.4 | 168.4 | -173 | 0 | 0 | 0 | 0 | 109 | ||||
| 161 | G | 45.8 | Very low | 55.6 | Low | 63 Ų | 63 | 121.8 Ų | 121.8 | 65% | 0.649 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 157.9 | -27.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 162 | Y | 52.2 | Low | 57.4 | Low | 216 Ų | 216 | 125.1 Ų | 125.1 | 85% | 0.847 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -131.9 | 167.9 | 175.1 | -68.1 | -84.8 | 0 | 0 | 0 | 111.2 | ||
| 163 | T | 52.6 | Low | 59.5 | Low | 104 Ų | 104 | 123.6 Ų | 123.6 | 64% | 0.638 | 68% | 0.677 | S | S | * | * | trans | 73.6 | 50 | 174.3 | 74.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 164 | P | 58.6 | Low | 61.8 | Low | 124 Ų | 124 | 121 Ų | 121 | 81% | 0.805 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64.9 | -30.6 | 146.5 | 30.1 | -32.7 | 0 | 0 | 0 | 111 | ||
| 165 | Y | 61.5 | Low | 64.1 | Low | 176 Ų | 176 | 124.9 Ų | 124.9 | 69% | 0.69 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.5 | -34.7 | -179.7 | -136.8 | -94 | 0 | 0 | 0 | 113.2 | W167 L168 Q169 | Y165-W167 VanDerWaalsContact C-N 3.31Å; Y165-W167 PolarHBondContact O-N 3.34Å; Y165-L168 PolarHBondContact O-N 3.15Å; Y165-Q169 PolarHBondContact O-N 2.95Å |
| 166 | G | 72.4 | Confident | 66.1 | Low | 22 Ų | 22 | 120.9 Ų | 120.9 | 23% | 0.227 | 65% | 0.645 | C | S | . | * | H | α-helix | trans | -63.8 | -33 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q169 L170 | G166-Q169 PolarHBondContact O-N 2.89Å; G166-L170 VanDerWaalsContact O-CB 3.27Å; G166-L170 WeakPolarHBondContact O-CB 3.41Å; G166-L170 PolarHBondContact O-N 3.42Å |
| 167 | W | 70.2 | Confident | 68.7 | Low | 199 Ų | 199 | 124.8 Ų | 124.8 | 75% | 0.754 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.5 | -45.7 | 173.1 | -179.9 | -93.1 | 0 | 0 | 0 | 112.2 | Y165 L170 S171 | Y165-W167 VanDerWaalsContact C-N 3.31Å; Y165-W167 PolarHBondContact O-N 3.34Å; W167-L170 PolarHBondContact O-N 3.44Å; W167-S171 PolarHBondContact O-N 3.31Å; W167-S171 PolarHBondContact O-OG 3.02Å |
| 168 | L | 82.9 | Confident | 70.8 | Confident | 107 Ų | 107 | 120.5 Ų | 120.5 | 56% | 0.56 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.8 | -37.4 | 178.2 | -177.7 | 62.2 | 0 | 0 | 0 | 111.8 | Y165 S171 W172 | Y165-L168 PolarHBondContact O-N 3.15Å; L168-S171 PolarHBondContact O-OG 3.31Å; L168-W172 VanDerWaalsContact O-CB 3.23Å; L168-W172 WeakPolarHBondContact O-CB 3.33Å; L168-W172 PolarHBondContact O-N 3.5Å |
| 169 | Q | 78.8 | Confident | 72.9 | Confident | 130 Ų | 130 | 126.1 Ų | 126.1 | 61% | 0.607 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67 | -40.4 | 175.6 | -171.7 | 174.9 | -1.9 | 0 | 0 | 111.9 | Y165 G166 F173 | Y165-Q169 PolarHBondContact O-N 2.95Å; G166-Q169 PolarHBondContact O-N 2.89Å; Q169-F173 WeakPolarHBondContact O-CB 3.36Å; Q169-F173 PolarHBondContact O-N 3.11Å |
| 170 | L | 83.6 | Confident | 75 | Confident | 101 Ų | 101 | 121.3 Ų | 121.3 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70 | -40.4 | 178 | -175.5 | 62.6 | 0 | 0 | 0 | 112.3 | G166 W167 F173 Q174 | G166-L170 VanDerWaalsContact O-CB 3.27Å; G166-L170 WeakPolarHBondContact O-CB 3.41Å; G166-L170 PolarHBondContact O-N 3.42Å; W167-L170 PolarHBondContact O-N 3.44Å; L170-F173 PolarHBondContact O-N 2.85Å; L170-Q174 PolarHBondContact O-N 3.19Å |
| 171 | S | 84.3 | Confident | 76.9 | Confident | 47 Ų | 47 | 123 Ų | 123 | 33% | 0.329 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.9 | -38.8 | 176.3 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | W167 L168 Q174 Q175 | W167-S171 PolarHBondContact O-N 3.31Å; W167-S171 PolarHBondContact O-OG 3.02Å; L168-S171 PolarHBondContact O-OG 3.31Å; S171-Q174 PolarHBondContact O-N 3.5Å; S171-Q175 WeakPolarHBondContact O-CB 3.33Å; S171-Q175 PolarHBondContact O-N 3.36Å |
| 172 | W | 82.1 | Confident | 79.1 | Confident | 159 Ų | 159 | 126.6 Ų | 126.6 | 60% | 0.602 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.9 | -44.4 | 171.8 | -179.2 | 89.7 | 0 | 0 | 0 | 111.8 | L168 Q175 I176 | L168-W172 VanDerWaalsContact O-CB 3.23Å; L168-W172 WeakPolarHBondContact O-CB 3.33Å; L168-W172 PolarHBondContact O-N 3.5Å; W172-Q175 PolarHBondContact O-N 2.71Å; W172-I176 HydrophobicContact CD2-CD1 3.78Å; W172-I176 HydrophobicContact CE3-CD1 4.02Å; W172-I176 HydrophobicContact CH2-CD1 3.56Å; W172-I176 HydrophobicContact CZ2-CD1 3.28Å; W172-I176 HydrophobicContact CZ3-CD1 3.92Å; W172-I176 PolarHBondContact O-N 3.13Å |
| 173 | F | 88.6 | Confident | 80.7 | Confident | 130 Ų | 130 | 121.2 Ų | 121.2 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.5 | -45.9 | 176.8 | -167.7 | -89.3 | 0 | 0 | 0 | 112 | Q169 L170 Q175 I176 Y177 | Q169-F173 WeakPolarHBondContact O-CB 3.36Å; Q169-F173 PolarHBondContact O-N 3.11Å; L170-F173 PolarHBondContact O-N 2.85Å; F173-Q175 VanDerWaalsContact C-N 3.34Å; F173-Q175 PolarHBondContact O-N 2.96Å; F173-I176 PolarHBondContact O-N 2.85Å; F173-Y177 WeakPolarHBondContact O-CB 3.28Å; F173-Y177 PolarHBondContact O-N 3.44Å |
| 174 | Q | 89.1 | Confident | 82.2 | Confident | 133 Ų | 133 | 121.2 Ų | 121.2 | 62% | 0.621 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.7 | -42.2 | 173.5 | -79.5 | -163.5 | -6.2 | 0 | 0 | 112.5 | L170 S171 I176 Y177 A178 | L170-Q174 PolarHBondContact O-N 3.19Å; S171-Q174 PolarHBondContact O-N 3.5Å; Q174-I176 PolarHBondContact O-N 3.16Å; Q174-Y177 PolarHBondContact O-N 2.72Å; Q174-A178 VanDerWaalsContact O-CB 3.27Å; Q174-A178 WeakPolarHBondContact O-CB 3.37Å; Q174-A178 PolarHBondContact O-N 3.18Å |
| 175 | Q | 87.8 | Confident | 83.6 | Confident | 143 Ų | 143 | 122.2 Ų | 122.2 | 67% | 0.668 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.9 | -39.2 | -178.8 | -172.6 | 175.8 | 4.8 | 0 | 0 | 112 | S171 W172 F173 R179 | S171-Q175 WeakPolarHBondContact O-CB 3.33Å; S171-Q175 PolarHBondContact O-N 3.36Å; W172-Q175 PolarHBondContact O-N 2.71Å; F173-Q175 VanDerWaalsContact C-N 3.34Å; F173-Q175 PolarHBondContact O-N 2.96Å; Q175-R179 VanDerWaalsContact O-CB 3.29Å; Q175-R179 WeakPolarHBondContact O-CB 3.24Å; Q175-R179 PolarHBondContact O-N 2.96Å |
| 176 | I | 81.9 | Confident | 84.9 | Confident | 62 Ų | 62 | 117.2 Ų | 117.2 | 32% | 0.318 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.5 | -46.2 | 174.8 | -71.8 | 178.1 | 0 | 0 | 0 | 111 | W172 F173 Q174 A178 R179 Q180 | W172-I176 HydrophobicContact CD2-CD1 3.78Å; W172-I176 HydrophobicContact CE3-CD1 4.02Å; W172-I176 HydrophobicContact CH2-CD1 3.56Å; W172-I176 HydrophobicContact CZ2-CD1 3.28Å; W172-I176 HydrophobicContact CZ3-CD1 3.92Å; W172-I176 PolarHBondContact O-N 3.13Å; F173-I176 PolarHBondContact O-N 2.85Å; Q174-I176 PolarHBondContact O-N 3.16Å; I176-A178 PolarHBondContact O-N 3.16Å; I176-R179 PolarHBondContact O-N 2.83Å; I176-Q180 HydrophobicContact CG2-CG 4.39Å; I176-Q180 WeakPolarHBondContact O-CG 3.27Å; I176-Q180 PolarHBondContact O-N 2.79Å |
| 177 | Y | 93.3 | Very high | 85.4 | Confident | 144 Ų | 144 | 119 Ų | 119 | 57% | 0.565 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -59.8 | -46.4 | 178.9 | -175 | -97.8 | 0 | 0 | 0 | 112 | F173 Q174 R179 Q180 Y181 | F173-Y177 WeakPolarHBondContact O-CB 3.28Å; F173-Y177 PolarHBondContact O-N 3.44Å; Q174-Y177 PolarHBondContact O-N 2.72Å; Y177-R179 PolarHBondContact O-N 3.47Å; Y177-Q180 PolarHBondContact O-N 2.86Å; Y177-Y181 PolarHBondContact O-N 3.25Å |
| 178 | A | 88.8 | Confident | 85.7 | Confident | 58 Ų | 58 | 112.3 Ų | 112.3 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q174 I176 Y182 | Q174-A178 VanDerWaalsContact O-CB 3.27Å; Q174-A178 WeakPolarHBondContact O-CB 3.37Å; Q174-A178 PolarHBondContact O-N 3.18Å; I176-A178 PolarHBondContact O-N 3.16Å; A178-Y182 WeakPolarHBondContact O-CB 3.41Å; A178-Y182 PolarHBondContact O-N 3.43Å |
| 179 | R | 86.5 | Confident | 85.6 | Confident | 182 Ų | 182 | 110 Ų | 110 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 175.5 | -176.9 | -178.9 | 175.7 | 104.2 | 2 | 112 | Q175 I176 Y177 Y182 M183 | Q175-R179 VanDerWaalsContact O-CB 3.29Å; Q175-R179 WeakPolarHBondContact O-CB 3.24Å; Q175-R179 PolarHBondContact O-N 2.96Å; I176-R179 PolarHBondContact O-N 2.83Å; Y177-R179 PolarHBondContact O-N 3.47Å; R179-Y182 PolarHBondContact O-N 3.32Å; R179-M183 HydrophobicContact CG-CG 4.48Å; R179-M183 WeakPolarHBondContact O-CB 3.33Å; R179-M183 VanDerWaalsContact O-CG 3.28Å; R179-M183 WeakPolarHBondContact O-CG 3.28Å; R179-M183 PolarHBondContact O-N 3.42Å |
| 180 | Q | 87.2 | Confident | 85.3 | Confident | 118 Ų | 118 | 107.7 Ų | 107.7 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.5 | -50.2 | 176 | -75.8 | 174.5 | -27.2 | 0 | 0 | 110.6 | I176 Y177 Y182 M183 Q184 | I176-Q180 HydrophobicContact CG2-CG 4.39Å; I176-Q180 WeakPolarHBondContact O-CG 3.27Å; I176-Q180 PolarHBondContact O-N 2.79Å; Y177-Q180 PolarHBondContact O-N 2.86Å; Q180-Y182 VanDerWaalsContact C-N 3.33Å; Q180-Y182 PolarHBondContact O-N 3.36Å; Q180-M183 PolarHBondContact O-N 3.37Å; Q180-Q184 PolarHBondContact O-N 3.15Å |
| 181 | Y | 87.5 | Confident | 84.4 | Confident | 164 Ų | 164 | 107.1 Ų | 107.1 | 64% | 0.643 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.4 | -39.3 | 179 | -157.5 | -87.9 | 0 | 0 | 0 | 112.7 | Y177 Q184 Y185 | Y177-Y181 PolarHBondContact O-N 3.25Å; Y181-Q184 WeakPolarHBondContact O-CB 3.18Å; Y181-Q184 PolarHBondContact O-N 3.35Å; Y181-Y185 PolarHBondContact O-N 3.46Å |
| 182 | Y | 91.3 | Very high | 83.3 | Confident | 140 Ų | 140 | 108.5 Ų | 108.5 | 55% | 0.549 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 175.8 | -177 | -109.8 | 0 | 0 | 0 | 113.1 | A178 R179 Q180 Q184 Y185 L186 | A178-Y182 WeakPolarHBondContact O-CB 3.41Å; A178-Y182 PolarHBondContact O-N 3.43Å; R179-Y182 PolarHBondContact O-N 3.32Å; Q180-Y182 VanDerWaalsContact C-N 3.33Å; Q180-Y182 PolarHBondContact O-N 3.36Å; Y182-Q184 VanDerWaalsContact C-N 3.34Å; Y182-Y185 PolarHBondContact O-N 3.22Å; Y182-L186 HydrophobicContact CD1-CD1 3.97Å; Y182-L186 HydrophobicContact CE1-CD1 3.42Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.42Å; Y182-L186 HydrophobicContact CE1-CG 4.09Å; Y182-L186 HydrophobicContact CE2-CG 4.42Å; Y182-L186 PolarHBondContact O-N 3.43Å |
| 183 | M | 86.6 | Confident | 82.2 | Confident | 102 Ų | 102 | 104 Ų | 104 | 50% | 0.502 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 172.4 | -72.5 | -61.4 | -56.8 | 0 | 0 | 111.8 | R179 Q180 L186 A187 | R179-M183 HydrophobicContact CG-CG 4.48Å; R179-M183 WeakPolarHBondContact O-CB 3.33Å; R179-M183 VanDerWaalsContact O-CG 3.28Å; R179-M183 WeakPolarHBondContact O-CG 3.28Å; R179-M183 PolarHBondContact O-N 3.42Å; Q180-M183 PolarHBondContact O-N 3.37Å; M183-L186 PolarHBondContact O-N 3.08Å; M183-A187 VanDerWaalsContact O-CB 3.32Å; M183-A187 WeakPolarHBondContact O-CB 3.32Å; M183-A187 PolarHBondContact O-N 2.87Å |
| 184 | Q | 83.4 | Confident | 80.1 | Confident | 104 Ų | 104 | 101.3 Ų | 101.3 | 49% | 0.486 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.7 | -45.6 | 173.7 | -156.3 | 90.2 | 36.4 | 0 | 0 | 111.3 | Q180 Y181 Y182 A187 A188 G250 | Q180-Q184 PolarHBondContact O-N 3.15Å; Y181-Q184 WeakPolarHBondContact O-CB 3.18Å; Y181-Q184 PolarHBondContact O-N 3.35Å; Y182-Q184 VanDerWaalsContact C-N 3.34Å; Q184-A187 PolarHBondContact O-N 3.39Å; Q184-A188 WeakPolarHBondContact O-CB 3.25Å; Q184-A188 PolarHBondContact O-N 3.36Å; Q184-G250 PolarHBondContact NE2-O 3.31Å |
| 185 | Y | 88.4 | Confident | 77.9 | Confident | 145 Ų | 145 | 104.2 Ų | 104.2 | 57% | 0.569 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.4 | -50.4 | 176 | 178 | -95.8 | 0 | 0 | 0 | 111.6 | Y181 Y182 A187 A188 T189 | Y181-Y185 PolarHBondContact O-N 3.46Å; Y182-Y185 PolarHBondContact O-N 3.22Å; Y185-A187 VanDerWaalsContact C-N 3.33Å; Y185-A187 PolarHBondContact O-N 3.1Å; Y185-A188 PolarHBondContact O-N 3.16Å; Y185-A188 VanDerWaalsContact O-N 3.16Å; Y185-T189 PolarHBondContact O-N 2.85Å; Y185-T189 PolarHBondContact O-OG1 3.48Å; Y185-T189 VanDerWaalsContact O-OG1 3.05Å |
| 186 | L | 87.9 | Confident | 75.7 | Confident | 71 Ų | 71 | 103.2 Ų | 103.2 | 37% | 0.372 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.4 | -41.2 | 176.7 | -77.4 | 177.5 | 0 | 0 | 0 | 112.5 | Y182 M183 T189 A190 | Y182-L186 HydrophobicContact CD1-CD1 3.97Å; Y182-L186 HydrophobicContact CE1-CD1 3.42Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.42Å; Y182-L186 HydrophobicContact CE1-CG 4.09Å; Y182-L186 HydrophobicContact CE2-CG 4.42Å; Y182-L186 PolarHBondContact O-N 3.43Å; M183-L186 PolarHBondContact O-N 3.08Å; L186-T189 PolarHBondContact O-N 3.3Å; L186-A190 VanDerWaalsContact O-CB 3.28Å; L186-A190 WeakPolarHBondContact O-CB 3.26Å; L186-A190 PolarHBondContact O-N 2.96Å |
| 187 | A | 83.1 | Confident | 73.9 | Confident | 60 Ų | 60 | 104.7 Ų | 104.7 | 50% | 0.496 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.3 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M183 Q184 Y185 A190 A191 | M183-A187 VanDerWaalsContact O-CB 3.32Å; M183-A187 WeakPolarHBondContact O-CB 3.32Å; M183-A187 PolarHBondContact O-N 2.87Å; Q184-A187 PolarHBondContact O-N 3.39Å; Y185-A187 VanDerWaalsContact C-N 3.33Å; Y185-A187 PolarHBondContact O-N 3.1Å; A187-A190 PolarHBondContact O-N 3.01Å; A187-A191 WeakPolarHBondContact O-CB 3.18Å; A187-A191 PolarHBondContact O-N 3.16Å |
| 188 | A | 77.3 | Confident | 71.4 | Confident | 59 Ų | 59 | 103.4 Ų | 103.4 | 49% | 0.488 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.4 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q184 Y185 A191 S192 | Q184-A188 WeakPolarHBondContact O-CB 3.25Å; Q184-A188 PolarHBondContact O-N 3.36Å; Y185-A188 PolarHBondContact O-N 3.16Å; Y185-A188 VanDerWaalsContact O-N 3.16Å; A188-A191 PolarHBondContact O-N 3.42Å; A188-S192 WeakPolarHBondContact O-CB 3.27Å; A188-S192 PolarHBondContact O-N 3.38Å; A188-S192 PolarHBondContact O-OG 2.87Å |
| 189 | T | 80.1 | Confident | 69.1 | Low | 59 Ų | 59 | 106.5 Ų | 106.5 | 36% | 0.362 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70 | -34.3 | 176.4 | -52.3 | 0 | 0 | 0 | 0 | 112.5 | Y185 L186 S192 | Y185-T189 PolarHBondContact O-N 2.85Å; Y185-T189 PolarHBondContact O-OG1 3.48Å; Y185-T189 VanDerWaalsContact O-OG1 3.05Å; L186-T189 PolarHBondContact O-N 3.3Å; T189-S192 PolarHBondContact O-OG 3.41Å |
| 190 | A | 72.7 | Confident | 66.6 | Low | 80 Ų | 80 | 104 Ų | 104 | 66% | 0.661 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.1 | -42.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | L186 A187 S192 G193 | L186-A190 VanDerWaalsContact O-CB 3.28Å; L186-A190 WeakPolarHBondContact O-CB 3.26Å; L186-A190 PolarHBondContact O-N 2.96Å; A187-A190 PolarHBondContact O-N 3.01Å; A190-S192 PolarHBondContact O-N 2.98Å; A190-G193 PolarHBondContact O-N 3.05Å |
| 191 | A | 64.4 | Low | 64 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 74% | 0.744 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.6 | -28.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A187 A188 G193 | A187-A191 WeakPolarHBondContact O-CB 3.18Å; A187-A191 PolarHBondContact O-N 3.16Å; A188-A191 PolarHBondContact O-N 3.42Å; A191-G193 VanDerWaalsContact C-N 3.28Å; A191-G193 PolarHBondContact O-N 2.9Å |
| 192 | S | 61.1 | Low | 61.6 | Low | 75 Ų | 75 | 103.5 Ų | 103.5 | 52% | 0.524 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | -11.6 | 176.3 | 70.1 | 0 | 0 | 0 | 0 | 114 | A188 T189 A190 A194 | A188-S192 WeakPolarHBondContact O-CB 3.27Å; A188-S192 PolarHBondContact O-N 3.38Å; A188-S192 PolarHBondContact O-OG 2.87Å; T189-S192 PolarHBondContact O-OG 3.41Å; A190-S192 PolarHBondContact O-N 2.98Å; S192-A194 PolarHBondContact O-N 3.35Å |
| 193 | G | 58.7 | Low | 58.7 | Low | 64 Ų | 64 | 103.9 Ų | 103.9 | 66% | 0.66 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 61.5 | 10.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A190 A191 F195 | A190-G193 PolarHBondContact O-N 3.05Å; A191-G193 VanDerWaalsContact C-N 3.28Å; A191-G193 PolarHBondContact O-N 2.9Å; G193-F195 PolarHBondContact O-N 2.86Å |
| 194 | A | 45.5 | Very low | 56.3 | Low | 75 Ų | 75 | 106.3 Ų | 106.3 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | trans | -83.6 | 49.6 | -161 | 0 | 0 | 0 | 0 | 0 | 114.2 | S192 V196 | S192-A194 PolarHBondContact O-N 3.35Å; A194-V196 PolarHBondContact O-N 2.94Å | ||
| 195 | F | 42.4 | Very low | 54.3 | Low | 193 Ų | 193 | 106.6 Ų | 106.6 | 85% | 0.846 | 67% | 0.665 | S | S | * | * | trans | -96.9 | 63.3 | 170.8 | -140.5 | -77.4 | 0 | 0 | 0 | 111.5 | G193 P197 | G193-F195 PolarHBondContact O-N 2.86Å; F195-P197 VanDerWaalsContact O-CD 3.26Å; F195-P197 WeakPolarHBondContact O-CD 3.4Å | ||
| 196 | V | 41.3 | Very low | 51.5 | Low | 122 Ų | 122 | 105.9 Ų | 105.9 | 74% | 0.739 | 68% | 0.676 | S | S | * | * | trans | -91.5 | 105.6 | 165.4 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | A194 P198 | A194-V196 PolarHBondContact O-N 2.94Å; V196-P198 WeakPolarHBondContact O-CD 3.49Å | ||
| 197 | P | 43.6 | Very low | 48.9 | Very low | 94 Ų | 94 | 108.5 Ų | 108.5 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 124.1 | 167.5 | 28.4 | -32.2 | 0 | 0 | 0 | 108.4 | F195 | F195-P197 VanDerWaalsContact O-CD 3.26Å; F195-P197 WeakPolarHBondContact O-CD 3.4Å |
| 198 | P | 41.3 | Very low | 46.9 | Very low | 117 Ų | 117 | 111.6 Ų | 111.6 | 76% | 0.76 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -66 | 130.8 | 178.4 | 26.5 | -33.2 | 0 | 0 | 0 | 109.8 | V196 S200 | V196-P198 WeakPolarHBondContact O-CD 3.49Å; P198-S200 PolarHBondContact O-N 2.9Å |
| 199 | P | 40.6 | Very low | 44.7 | Very low | 122 Ų | 122 | 113 Ų | 113 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 129.4 | -179.9 | 28.3 | -33.7 | 0 | 0 | 0 | 111.4 | ||
| 200 | S | 33.3 | Very low | 42.5 | Very low | 129 Ų | 129 | 116 Ų | 116 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | trans | 5 | 111.1 | 165.6 | -54.2 | 0 | 0 | 0 | 0 | 118.9 | P198 | P198-S200 PolarHBondContact O-N 2.9Š| ||
| 201 | A | 33.1 | Very low | 40.8 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -127 | 141.7 | 148 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 202 | Q | 36.4 | Very low | 39.3 | Very low | 172 Ų | 172 | 118.4 Ų | 118.4 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -75.7 | 161.3 | 179.5 | -67.5 | 150.2 | -36 | 0 | 0 | 110.3 | ||||
| 203 | E | 31.3 | Very low | 38 | Very low | 149 Ų | 149 | 119 Ų | 119 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | cis | -167.8 | -179 | -3.7 | -113.9 | 171.7 | 60.4 | 0 | 0 | 107.2 | ||||
| 204 | I | 35.8 | Very low | 37 | Very low | 153 Ų | 153 | 122 Ų | 122 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | cis | -123.2 | -124.3 | 6.3 | -27.2 | 156.6 | 0 | 0 | 0 | 109.5 | ||||
| 205 | P | 42.4 | Very low | 36.5 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | trans | -122 | -179.2 | -173.4 | 46.7 | -31.5 | 0 | 0 | 0 | 116 | ||||
| 206 | V | 29.8 | Very low | 36.2 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | -172.5 | 126.5 | 123.4 | 142.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 207 | V | 32 | Very low | 35.9 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 41.9 | 114.1 | 155.3 | -177.4 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 208 | S | 40.8 | Very low | 35.3 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -68.8 | 136.8 | 158.5 | -47.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 209 | A | 31 | Very low | 34.8 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -128.6 | 155.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 210 | P | 34.8 | Very low | 34.8 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 151.3 | -152.1 | 31.1 | -36.8 | 0 | 0 | 0 | 115.4 | ||
| 211 | A | 36.2 | Very low | 34.9 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 131.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 212 | P | 33.6 | Very low | 34.8 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 142 | 165.4 | -19.4 | 33 | 0 | 0 | 0 | 111.1 | ||
| 213 | A | 34.7 | Very low | 34.9 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 144.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I215 | A213-I215 PolarHBondContact O-N 2.91Š|
| 214 | P | 36.3 | Very low | 34.9 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 129.8 | 171.1 | 29.3 | -33.7 | 0 | 0 | 0 | 110.4 | ||
| 215 | I | 35.4 | Very low | 34.9 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 140.7 | 176.6 | -67.5 | -178.6 | 0 | 0 | 0 | 110.4 | A213 | A213-I215 PolarHBondContact O-N 2.91Š|
| 216 | H | 36.6 | Very low | 34.8 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -77.6 | 120 | -168 | -173.3 | 94 | 0 | 0 | 0 | 113.1 | ||
| 217 | N | 34.5 | Very low | 34.8 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | trans | -171.1 | 82.6 | 142.7 | -101 | -10 | 0 | 0 | 0 | 109.7 | ||||
| 218 | Q | 31.7 | Very low | 35.3 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -105.9 | 112.1 | 178.9 | -176.9 | 177.3 | 17.5 | 0 | 0 | 109.3 | ||||
| 219 | F | 31.3 | Very low | 35.3 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -77.4 | 144.2 | 161.9 | -82.5 | -83.6 | 0 | 0 | 0 | 109.6 | ||||
| 220 | P | 39.7 | Very low | 35.3 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | trans | -74.8 | 138 | -168.9 | -15.1 | 31 | 0 | 0 | 0 | 112.5 | E222 | P220-E222 PolarHBondContact O-N 2.94Š| ||
| 221 | A | 35 | Very low | 35.1 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -76.7 | 102.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 222 | E | 32.3 | Very low | 35.1 | Very low | 182 Ų | 182 | 137.6 Ų | 137.6 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 135.2 | -178.1 | -167.9 | 148.8 | 94.1 | 0 | 0 | 111.4 | P220 Q224 | P220-E222 PolarHBondContact O-N 2.94Å; E222-Q224 PolarHBondContact O-N 3.23Å | ||
| 223 | N | 38.2 | Very low | 35 | Very low | 157 Ų | 157 | 139.7 Ų | 139.7 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -67.7 | 129.1 | -172.8 | -65.2 | -83.5 | 0 | 0 | 0 | 111.6 | ||||
| 224 | Q | 31.5 | Very low | 34.9 | Very low | 187 Ų | 187 | 141.3 Ų | 141.3 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -114.9 | 141.8 | 157.7 | -72.9 | -167 | -9.3 | 0 | 0 | 110.3 | E222 | E222-Q224 PolarHBondContact O-N 3.23Š| ||
| 225 | P | 35.4 | Very low | 35.4 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -78.6 | 148.6 | -161.8 | 30.6 | -36.5 | 0 | 0 | 0 | 113.6 | N227 | P225-N227 PolarHBondContact O-N 2.87Å; P225-N227 VanDerWaalsContact O-N 3.12Å | ||
| 226 | A | 39.3 | Very low | 35.3 | Very low | 87 Ų | 87 | 139 Ų | 139 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | -67.1 | 106.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q228 | A226-Q228 PolarHBondContact O-N 3.16Š| ||
| 227 | N | 30 | Very low | 35.6 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -82.2 | 98.8 | 172 | -172.5 | -3.9 | 0 | 0 | 0 | 110.2 | P225 N229 | P225-N227 PolarHBondContact O-N 2.87Å; P225-N227 VanDerWaalsContact O-N 3.12Å; N227-N229 PolarHBondContact O-N 2.85Å | ||
| 228 | Q | 42.7 | Very low | 35.7 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -79.7 | 38 | -175 | -59.6 | -177 | 4.2 | 0 | 0 | 113.8 | A226 | A226-Q228 PolarHBondContact O-N 3.16Š| ||
| 229 | N | 41.8 | Very low | 35.9 | Very low | 149 Ų | 149 | 130.4 Ų | 130.4 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -143.3 | 81.7 | 178 | -98.7 | -46.3 | 0 | 0 | 0 | 112.5 | N227 | N227-N229 PolarHBondContact O-N 2.85Š| ||
| 230 | A | 30.4 | Very low | 36.4 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | -139.3 | 125.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 231 | A | 31.2 | Very low | 36.6 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 59% | 0.587 | 76% | 0.76 | S | S | * | * | trans | -65.9 | 145.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q233 | A231-Q233 PolarHBondContact O-N 2.83Å; A231-Q233 PolarHBondContact O-NE2 2.88Å | ||
| 232 | P | 35.6 | Very low | 37.2 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -59.2 | 109 | -176.3 | 24.4 | -34.4 | 0 | 0 | 0 | 110.5 | V234 | P232-V234 PolarHBondContact O-N 2.94Š| ||
| 233 | Q | 31.6 | Very low | 38 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -70.9 | 116.7 | 176.5 | -64.6 | -53.5 | -66.6 | 0 | 0 | 108.7 | A231 | A231-Q233 PolarHBondContact O-N 2.83Å; A231-Q233 PolarHBondContact O-NE2 2.88Å | ||
| 234 | V | 33 | Very low | 38.5 | Very low | 120 Ų | 120 | 127 Ų | 127 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -54.3 | 138 | -174.9 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | P232 V236 | P232-V234 PolarHBondContact O-N 2.94Å; V234-V236 VanDerWaalsContact C-N 3.27Å; V234-V236 HydrophobicContact CB-CG2 4.34Å; V234-V236 HydrophobicContact CG1-CG2 4.01Å; V234-V236 PolarHBondContact O-N 2.67Å | ||
| 235 | V | 46.1 | Very low | 39.5 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 84% | 0.836 | 74% | 0.741 | S | S | * | * | trans | -65.8 | 90.5 | 167.8 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 236 | V | 34.1 | Very low | 40.3 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | -99.6 | 110.9 | 163.4 | -171.1 | 0 | 0 | 0 | 0 | 106.4 | V234 P238 | V234-V236 VanDerWaalsContact C-N 3.27Å; V234-V236 HydrophobicContact CB-CG2 4.34Å; V234-V236 HydrophobicContact CG1-CG2 4.01Å; V234-V236 PolarHBondContact O-N 2.67Å; V236-P238 HydrophobicContact CG1-CG 4.38Å; V236-P238 WeakPolarHBondContact O-CD 3.37Å | ||
| 237 | N | 41.3 | Very low | 41 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | trans | -110.3 | 95.8 | 173.5 | 177.7 | 0.5 | 0 | 0 | 0 | 109.2 | ||||
| 238 | P | 37.5 | Very low | 42 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | trans | -105.2 | 117.6 | 169.9 | 34.9 | -23 | 0 | 0 | 0 | 110.4 | V236 | V236-P238 HydrophobicContact CG1-CG 4.38Å; V236-P238 WeakPolarHBondContact O-CD 3.37Å | ||
| 239 | G | 36.3 | Very low | 42.8 | Very low | 60 Ų | 60 | 126.8 Ų | 126.8 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | trans | 90.9 | 81.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | N241 | G239-N241 PolarHBondContact O-N 3.45Š| ||
| 240 | A | 41.3 | Very low | 43.5 | Very low | 72 Ų | 72 | 121.1 Ų | 121.1 | 60% | 0.595 | 71% | 0.71 | S | S | * | * | trans | -64.4 | 118.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q242 | A240-Q242 VanDerWaalsContact C-N 3.29Å; A240-Q242 PolarHBondContact O-N 3.03Å | ||
| 241 | N | 43 | Very low | 45 | Very low | 150 Ų | 150 | 117.9 Ų | 117.9 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | trans | -71.8 | 80.9 | 177.3 | -80.3 | -39 | 0 | 0 | 0 | 111.1 | G239 N243 L244 | G239-N241 PolarHBondContact O-N 3.45Å; N241-N243 PolarHBondContact O-N 3.13Å; N241-L244 PolarHBondContact O-N 2.82Å | ||
| 242 | Q | 49 | Very low | 45.9 | Very low | 177 Ų | 177 | 120.1 Ų | 120.1 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -1.4 | -177.9 | -69.6 | -177.3 | -12.2 | 0 | 0 | 114.9 | A240 | A240-Q242 VanDerWaalsContact C-N 3.29Å; A240-Q242 PolarHBondContact O-N 3.03Å |
| 243 | N | 48.3 | Very low | 46.7 | Very low | 146 Ų | 146 | 116.6 Ų | 116.6 | 78% | 0.781 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 5.7 | 178.8 | -73 | -51.4 | 0 | 0 | 0 | 114.9 | N241 R245 | N241-N243 PolarHBondContact O-N 3.13Å; N243-R245 PolarHBondContact O-N 2.86Å |
| 244 | L | 50.1 | Low | 48 | Very low | 121 Ų | 121 | 113 Ų | 113 | 63% | 0.634 | 66% | 0.657 | S | S | * | * | trans | -74.1 | 75.1 | 163.8 | -170 | 67.2 | 0 | 0 | 0 | 109.7 | N241 M246 | N241-L244 PolarHBondContact O-N 2.82Å; L244-M246 HydrophobicContact CD2-CE 3.7Å; L244-M246 HydrophobicContact CG-CE 3.91Å; L244-M246 HydrophobicContact CG-SD 4.45Å | ||
| 245 | R | 51.4 | Low | 49.2 | Very low | 194 Ų | 194 | 114.8 Ų | 114.8 | 73% | 0.732 | 66% | 0.657 | S | S | * | * | trans | -67.2 | 146.4 | 162.2 | -75 | 178.6 | 163.6 | 152.3 | -2.6 | 108.4 | N243 I253 | N243-R245 PolarHBondContact O-N 2.86Å; R245-I253 HydrophobicContact CB-CD1 4.19Å; R245-I253 WeakPolarHBondContact O-CD1 3.1Å | ||
| 246 | M | 51.7 | Low | 49.5 | Very low | 140 Ų | 140 | 115.4 Ų | 115.4 | 69% | 0.69 | 65% | 0.651 | S | S | * | * | trans | -104 | 139.2 | 165.2 | -76.1 | 77.4 | -176.1 | 0 | 0 | 108.4 | L244 | L244-M246 HydrophobicContact CD2-CE 3.7Å; L244-M246 HydrophobicContact CG-CE 3.91Å; L244-M246 HydrophobicContact CG-SD 4.45Å | ||
| 247 | N | 55.6 | Low | 50.3 | Low | 75 Ų | 75 | 116 Ų | 116 | 40% | 0.401 | 65% | 0.651 | S | S | . | * | trans | -73.3 | 159.5 | 167.4 | 75 | 17.9 | 0 | 0 | 0 | 109.6 | Q249 G250 G251 I253 | N247-Q249 PolarHBondContact O-N 2.92Å; N247-Q249 WeakPolarHBondContact OD1-CA 3.32Å; N247-Q249 PolarHBondContact OD1-N 3.48Å; N247-G250 PolarHBondContact O-N 3.16Å; N247-G250 PolarHBondContact OD1-N 2.81Å; N247-G251 PolarHBondContact OD1-N 3.04Å; N247-I253 HydrophobicContact CB-CD1 4.33Å | ||
| 248 | A | 50.7 | Low | 50.9 | Low | 121 Ų | 121 | 114.7 Ų | 114.7 | 100% | 1 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 8.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 249 | Q | 58.4 | Low | 51.7 | Low | 181 Ų | 181 | 114.9 Ų | 114.9 | 85% | 0.846 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.2 | 15.8 | -173.6 | -157.7 | 164.3 | -1.9 | 0 | 0 | 112.7 | N247 G251 | N247-Q249 PolarHBondContact O-N 2.92Å; N247-Q249 WeakPolarHBondContact OD1-CA 3.32Å; N247-Q249 PolarHBondContact OD1-N 3.48Å; Q249-G251 VanDerWaalsContact C-N 3.27Å; Q249-G251 PolarHBondContact O-N 3.37Å; Q249-G251 VanDerWaalsContact O-N 3.16Å |
| 250 | G | 56.8 | Low | 52.4 | Low | 31 Ų | 31 | 118.9 Ų | 118.9 | 32% | 0.32 | 64% | 0.641 | S | S | . | * | trans | 73.3 | 2.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 117 | Q184 N247 | Q184-G250 PolarHBondContact NE2-O 3.31Å; N247-G250 PolarHBondContact O-N 3.16Å; N247-G250 PolarHBondContact OD1-N 2.81Å | ||
| 251 | G | 62.3 | Low | 53 | Low | 27 Ų | 27 | 120.8 Ų | 120.8 | 28% | 0.278 | 64% | 0.641 | S | S | . | * | trans | -75.4 | 146.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N247 Q249 I253 | N247-G251 PolarHBondContact OD1-N 3.04Å; Q249-G251 VanDerWaalsContact C-N 3.27Å; Q249-G251 PolarHBondContact O-N 3.37Å; Q249-G251 VanDerWaalsContact O-N 3.16Å; G251-I253 PolarHBondContact O-N 2.88Å | ||
| 252 | P | 50 | Low | 53.9 | Low | 118 Ų | 118 | 121.2 Ų | 121.2 | 77% | 0.766 | 63% | 0.631 | S | S | * | * | trans | -62.6 | 127.5 | 164.3 | 28.8 | -32.8 | 0 | 0 | 0 | 108.6 | V254 | P252-V254 PolarHBondContact O-N 2.85Å; P252-V254 VanDerWaalsContact O-N 3.1Å | ||
| 253 | I | 53.3 | Low | 54.8 | Low | 52 Ų | 52 | 117.1 Ų | 117.1 | 27% | 0.267 | 62% | 0.615 | S | S | . | * | trans | -75.8 | 102.1 | 177.6 | -57.8 | -165.1 | 0 | 0 | 0 | 108.6 | R245 N247 G251 E255 | R245-I253 HydrophobicContact CB-CD1 4.19Å; R245-I253 WeakPolarHBondContact O-CD1 3.1Å; N247-I253 HydrophobicContact CB-CD1 4.33Å; G251-I253 PolarHBondContact O-N 2.88Å; I253-E255 VanDerWaalsContact C-N 3.29Å; I253-E255 HydrophobicContact CG2-CB 3.61Å; I253-E255 HydrophobicContact CG2-CG 3.4Å; I253-E255 VanDerWaalsContact CG2-CG 3.4Å; I253-E255 WeakPolarHBondContact CG2-OE2 3.44Å; I253-E255 PolarHBondContact O-N 3.41Å | ||
| 254 | V | 58.1 | Low | 56.5 | Low | 92 Ų | 92 | 119 Ų | 119 | 56% | 0.558 | 61% | 0.611 | S | S | * | * | trans | -93.9 | 63.4 | 166.9 | -171.3 | 0 | 0 | 0 | 0 | 108 | P252 | P252-V254 PolarHBondContact O-N 2.85Å; P252-V254 VanDerWaalsContact O-N 3.1Å | ||
| 255 | E | 57.3 | Low | 57.9 | Low | 158 Ų | 158 | 118 Ų | 118 | 74% | 0.738 | 61% | 0.606 | S | S | * | * | trans | -95.1 | 96.8 | 171.3 | -77.2 | 167.9 | -171.8 | 0 | 0 | 108.1 | I253 | I253-E255 VanDerWaalsContact C-N 3.29Å; I253-E255 HydrophobicContact CG2-CB 3.61Å; I253-E255 HydrophobicContact CG2-CG 3.4Å; I253-E255 VanDerWaalsContact CG2-CG 3.4Å; I253-E255 WeakPolarHBondContact CG2-OE2 3.44Å; I253-E255 PolarHBondContact O-N 3.41Å | ||
| 256 | E | 54.1 | Low | 59.2 | Low | 151 Ų | 151 | 112.1 Ų | 112.1 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 160.1 | -35.2 | 136.4 | -86.5 | -174.3 | 156.3 | 0 | 0 | 112.1 | D258 E259 | E256-D258 VanDerWaalsContact C-N 3.33Å; E256-D258 PolarHBondContact O-N 2.8Å; E256-E259 WeakPolarHBondContact O-CB 3.41Å; E256-E259 PolarHBondContact O-N 2.85Å; E256-E259 VanDerWaalsContact O-N 3.08Å |
| 257 | D | 50.7 | Low | 60.7 | Low | 127 Ų | 127 | 114.5 Ų | 114.5 | 68% | 0.679 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.8 | -33 | -179.2 | -88.3 | -32.5 | 0 | 0 | 0 | 113.6 | E259 N261 | D257-E259 VanDerWaalsContact C-N 3.33Å; D257-N261 PolarHBondContact O-N 3.48Å; D257-N261 PolarHBondContact O-ND2 2.74Å |
| 258 | D | 53.9 | Low | 62.2 | Low | 107 Ų | 107 | 113.5 Ų | 113.5 | 57% | 0.572 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76.1 | -17.6 | 175.4 | -71.6 | -32.4 | 0 | 0 | 0 | 112.8 | E256 N261 R262 | E256-D258 VanDerWaalsContact C-N 3.33Å; E256-D258 PolarHBondContact O-N 2.8Å; D258-N261 CarbonylContact O-C 3.37Å; D258-R262 PolarHBondContact O-N 3.22Å; D258-R262 VanDerWaalsContact O-N 3.15Å |
| 259 | E | 52.9 | Low | 64 | Low | 112 Ų | 112 | 115 Ų | 115 | 52% | 0.523 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -78.4 | -26.7 | 178.7 | -168.4 | 135.9 | -137.4 | 0 | 0 | 111.7 | E256 D257 R262 | E256-E259 WeakPolarHBondContact O-CB 3.41Å; E256-E259 PolarHBondContact O-N 2.85Å; E256-E259 VanDerWaalsContact O-N 3.08Å; D257-E259 VanDerWaalsContact C-N 3.33Å; E259-R262 IonicContact OE1-CZ 3.45Å; E259-R262 VanDerWaalsContact OE1-CZ 3.24Å; E259-R262 IonicContact OE1-NH1 3.51Å; E259-R262 PolarHBondContact OE1-NH1 2.83Å; E259-R262 IonicContact OE1-NH2 2.77Å; E259-R262 PolarHBondContact OE1-NH2 3.41Å |
| 260 | I | 51.7 | Low | 65.2 | Low | 144 Ų | 144 | 109.3 Ų | 109.3 | 74% | 0.738 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -81.7 | -29.4 | 172.7 | -67.5 | 170.9 | 0 | 0 | 0 | 111.7 | ||
| 261 | N | 54.4 | Low | 66.5 | Low | 113 Ų | 113 | 109.8 Ų | 109.8 | 60% | 0.604 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 35.4 | 173.6 | -62.9 | -86.9 | 0 | 0 | 0 | 112.4 | D257 D258 D263 | D257-N261 PolarHBondContact O-N 3.48Å; D257-N261 PolarHBondContact O-ND2 2.74Å; D258-N261 CarbonylContact O-C 3.37Å; N261-D263 PolarHBondContact O-N 2.73Å |
| 262 | R | 61.7 | Low | 67.8 | Low | 158 Ų | 158 | 110.9 Ų | 110.9 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | trans | -64.2 | 91.4 | 160.5 | -87.6 | -165 | -176.8 | 117.6 | 9.3 | 109.1 | D258 E259 | D258-R262 PolarHBondContact O-N 3.22Å; D258-R262 VanDerWaalsContact O-N 3.15Å; E259-R262 IonicContact OE1-CZ 3.45Å; E259-R262 VanDerWaalsContact OE1-CZ 3.24Å; E259-R262 IonicContact OE1-NH1 3.51Å; E259-R262 PolarHBondContact OE1-NH1 2.83Å; E259-R262 IonicContact OE1-NH2 2.77Å; E259-R262 PolarHBondContact OE1-NH2 3.41Å | ||
| 263 | D | 68.3 | Low | 69.7 | Low | 92 Ų | 92 | 108.6 Ų | 108.6 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | trans | -50.9 | 141.2 | -177.1 | -90.8 | -47.8 | 0 | 0 | 0 | 111.3 | N261 L265 D266 W267 | N261-D263 PolarHBondContact O-N 2.73Å; D263-L265 HydrophobicContact CB-CB 3.92Å; D263-L265 PolarHBondContact O-N 2.85Å; D263-D266 WeakPolarHBondContact O-CB 3.28Å; D263-D266 PolarHBondContact O-N 3.18Å; D263-W267 PolarHBondContact O-N 3.49Å; D263-W267 VanDerWaalsContact O-N 3.13Å | ||
| 264 | W | 82.6 | Confident | 71.3 | Confident | 185 Ų | 185 | 111.6 Ų | 111.6 | 70% | 0.701 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -49 | -30.3 | 163.4 | 64.2 | -80.4 | 0 | 0 | 0 | 111.4 | W267 T268 | W264-W267 PolarHBondContact O-N 2.76Å; W264-T268 HydrophobicContact CE3-CG2 4.48Å; W264-T268 WeakPolarHBondContact O-CG2 3.43Å; W264-T268 PolarHBondContact O-N 2.82Å; W264-T268 PolarHBondContact O-OG1 3.4Å |
| 265 | L | 79.3 | Confident | 72.3 | Confident | 99 Ų | 99 | 110.3 Ų | 110.3 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 172.9 | -164.1 | 83.4 | 0 | 0 | 0 | 111.9 | D263 T268 Y269 | D263-L265 HydrophobicContact CB-CB 3.92Å; D263-L265 PolarHBondContact O-N 2.85Å; L265-T268 WeakPolarHBondContact CA-OG1 3.44Å; L265-T268 CarbonylContact O-C 3.58Å; L265-T268 PolarHBondContact O-N 2.89Å; L265-T268 VanDerWaalsContact O-N 3.16Å; L265-T268 PolarHBondContact O-OG1 2.97Å; L265-Y269 VanDerWaalsContact O-CB 3.3Å; L265-Y269 WeakPolarHBondContact O-CB 3.4Å; L265-Y269 PolarHBondContact O-N 2.98Å |
| 266 | D | 80.3 | Confident | 73.7 | Confident | 72 Ų | 72 | 107 Ų | 107 | 39% | 0.385 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 178.2 | -177 | 49.8 | 0 | 0 | 0 | 111.7 | D263 Y269 S270 | D263-D266 WeakPolarHBondContact O-CB 3.28Å; D263-D266 PolarHBondContact O-N 3.18Å; D266-Y269 PolarHBondContact O-N 3.48Å; D266-S270 VanDerWaalsContact O-CB 3.22Å; D266-S270 WeakPolarHBondContact O-CB 3.37Å; D266-S270 PolarHBondContact O-N 2.88Å; D266-S270 PolarHBondContact O-OG 3.14Å |
| 267 | W | 82.8 | Confident | 75.2 | Confident | 190 Ų | 190 | 105.8 Ų | 105.8 | 72% | 0.72 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.7 | -46.2 | 169.1 | -179.7 | 83.3 | 0 | 0 | 0 | 111.7 | D263 W264 Y269 A271 | D263-W267 PolarHBondContact O-N 3.49Å; D263-W267 VanDerWaalsContact O-N 3.13Å; W264-W267 PolarHBondContact O-N 2.76Å; W267-Y269 VanDerWaalsContact C-N 3.35Å; W267-Y269 PolarHBondContact O-N 3.45Å; W267-A271 VanDerWaalsContact O-CB 3.23Å; W267-A271 WeakPolarHBondContact O-CB 3.33Å; W267-A271 PolarHBondContact O-N 2.93Å |
| 268 | T | 87.1 | Confident | 76.6 | Confident | 54 Ų | 54 | 101.8 Ų | 101.8 | 33% | 0.331 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.6 | -32.4 | 175.8 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | W264 L265 A272 | W264-T268 HydrophobicContact CE3-CG2 4.48Å; W264-T268 WeakPolarHBondContact O-CG2 3.43Å; W264-T268 PolarHBondContact O-N 2.82Å; W264-T268 PolarHBondContact O-OG1 3.4Å; L265-T268 WeakPolarHBondContact CA-OG1 3.44Å; L265-T268 CarbonylContact O-C 3.58Å; L265-T268 PolarHBondContact O-N 2.89Å; L265-T268 VanDerWaalsContact O-N 3.16Å; L265-T268 PolarHBondContact O-OG1 2.97Å; T268-A272 WeakPolarHBondContact O-CB 3.44Å; T268-A272 PolarHBondContact O-N 2.87Å |
| 269 | Y | 87.2 | Confident | 77.6 | Confident | 153 Ų | 153 | 99.2 Ų | 99.2 | 60% | 0.6 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.3 | -44.7 | 178.1 | 175.2 | -106 | 0 | 0 | 0 | 110.8 | L265 D266 W267 A272 T273 | L265-Y269 VanDerWaalsContact O-CB 3.3Å; L265-Y269 WeakPolarHBondContact O-CB 3.4Å; L265-Y269 PolarHBondContact O-N 2.98Å; D266-Y269 PolarHBondContact O-N 3.48Å; W267-Y269 VanDerWaalsContact C-N 3.35Å; W267-Y269 PolarHBondContact O-N 3.45Å; Y269-A272 PolarHBondContact O-N 2.98Å; Y269-T273 WeakPolarHBondContact O-CB 3.49Å; Y269-T273 PolarHBondContact O-N 3.37Å; Y269-T273 PolarHBondContact O-OG1 3.01Å |
| 270 | S | 83.9 | Confident | 79 | Confident | 61 Ų | 61 | 98.1 Ų | 98.1 | 43% | 0.427 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 171.1 | -69.5 | 0 | 0 | 0 | 0 | 111.5 | D266 T273 F274 | D266-S270 VanDerWaalsContact O-CB 3.22Å; D266-S270 WeakPolarHBondContact O-CB 3.37Å; D266-S270 PolarHBondContact O-N 2.88Å; D266-S270 PolarHBondContact O-OG 3.14Å; S270-T273 PolarHBondContact O-N 2.88Å; S270-F274 VanDerWaalsContact O-CB 3.26Å; S270-F274 WeakPolarHBondContact O-CB 3.07Å; S270-F274 PolarHBondContact O-N 3.22Å |
| 271 | A | 85.6 | Confident | 80.2 | Confident | 40 Ų | 40 | 94.6 Ų | 94.6 | 33% | 0.331 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -39.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W267 S275 | W267-A271 VanDerWaalsContact O-CB 3.23Å; W267-A271 WeakPolarHBondContact O-CB 3.33Å; W267-A271 PolarHBondContact O-N 2.93Å; A271-S275 WeakPolarHBondContact O-CB 3.5Å; A271-S275 PolarHBondContact O-N 3.41Å |
| 272 | A | 89.2 | Confident | 81.3 | Confident | 51 Ų | 51 | 94 Ų | 94 | 42% | 0.421 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T268 Y269 S275 V276 | T268-A272 WeakPolarHBondContact O-CB 3.44Å; T268-A272 PolarHBondContact O-N 2.87Å; Y269-A272 PolarHBondContact O-N 2.98Å; A272-S275 WeakPolarHBondContact O-CB 3.22Å; A272-S275 PolarHBondContact O-N 3Å; A272-V276 WeakPolarHBondContact O-CG2 3.46Å; A272-V276 PolarHBondContact O-N 3.37Å |
| 273 | T | 88.3 | Confident | 81.8 | Confident | 70 Ų | 70 | 94.4 Ų | 94.4 | 43% | 0.429 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 177.2 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | Y269 S270 V276 F277 | Y269-T273 WeakPolarHBondContact O-CB 3.49Å; Y269-T273 PolarHBondContact O-N 3.37Å; Y269-T273 PolarHBondContact O-OG1 3.01Å; S270-T273 PolarHBondContact O-N 2.88Å; T273-V276 PolarHBondContact O-N 3.03Å; T273-F277 WeakPolarHBondContact O-CB 3.48Å; T273-F277 PolarHBondContact O-N 2.95Å |
| 274 | F | 87.1 | Confident | 82.2 | Confident | 115 Ų | 115 | 99.9 Ų | 99.9 | 50% | 0.504 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -44.4 | 171 | -176.5 | -100.1 | 0 | 0 | 0 | 111.5 | S270 V276 F277 L278 M294 | S270-F274 VanDerWaalsContact O-CB 3.26Å; S270-F274 WeakPolarHBondContact O-CB 3.07Å; S270-F274 PolarHBondContact O-N 3.22Å; F274-V276 PolarHBondContact O-N 3.15Å; F274-F277 PolarHBondContact O-N 3.02Å; F274-L278 HydrophobicContact CE1-CD1 4.29Å; F274-L278 HydrophobicContact CE1-CD2 4.4Å; F274-L278 HydrophobicContact CZ-CD1 4.19Å; F274-L278 WeakPolarHBondContact O-CB 3.36Å; F274-L278 PolarHBondContact O-N 3.03Å; F274-M294 HydrophobicContact CZ-CE 4.28Å |
| 275 | S | 80.8 | Confident | 81.9 | Confident | 64 Ų | 64 | 93.2 Ų | 93.2 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 177.3 | -174.1 | 0 | 0 | 0 | 0 | 113 | A271 A272 L278 S279 | A271-S275 WeakPolarHBondContact O-CB 3.5Å; A271-S275 PolarHBondContact O-N 3.41Å; A272-S275 WeakPolarHBondContact O-CB 3.22Å; A272-S275 PolarHBondContact O-N 3Å; S275-L278 PolarHBondContact O-N 3.28Å; S275-S279 VanDerWaalsContact O-CB 3.32Å; S275-S279 WeakPolarHBondContact O-CB 3.23Å; S275-S279 PolarHBondContact O-N 2.93Å; S275-S279 PolarHBondContact O-OG 3.17Å |
| 276 | V | 85.3 | Confident | 81.7 | Confident | 88 Ų | 88 | 90.8 Ų | 90.8 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.8 | -44.8 | 174.2 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | A272 T273 F274 L278 S279 I280 | A272-V276 WeakPolarHBondContact O-CG2 3.46Å; A272-V276 PolarHBondContact O-N 3.37Å; T273-V276 PolarHBondContact O-N 3.03Å; F274-V276 PolarHBondContact O-N 3.15Å; V276-L278 VanDerWaalsContact C-N 3.31Å; V276-L278 PolarHBondContact O-N 2.87Å; V276-S279 WeakPolarHBondContact O-CB 3.32Å; V276-S279 PolarHBondContact O-N 3.49Å; V276-I280 HydrophobicContact CG1-CD1 3.98Å; V276-I280 WeakPolarHBondContact O-CG1 3.13Å; V276-I280 PolarHBondContact O-N 2.91Å |
| 277 | F | 85.7 | Confident | 81.5 | Confident | 126 Ų | 126 | 91.9 Ų | 91.9 | 55% | 0.553 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -58.4 | -43.6 | 173.2 | 174.9 | -96.6 | 0 | 0 | 0 | 111.8 | T273 F274 S279 I280 L281 | T273-F277 WeakPolarHBondContact O-CB 3.48Å; T273-F277 PolarHBondContact O-N 2.95Å; F274-F277 PolarHBondContact O-N 3.02Å; F277-S279 VanDerWaalsContact C-N 3.34Å; F277-S279 PolarHBondContact O-N 2.89Å; F277-I280 PolarHBondContact O-N 3.44Å; F277-L281 HydrophobicContact CE1-CD2 4.37Å; F277-L281 WeakPolarHBondContact O-CB 3.22Å; F277-L281 PolarHBondContact O-N 3.15Å |
| 278 | L | 80.1 | Confident | 81.1 | Confident | 44 Ų | 44 | 86.9 Ų | 86.9 | 23% | 0.23 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 176.5 | -159.4 | 77.7 | 0 | 0 | 0 | 111.5 | F274 S275 V276 L281 Y282 F290 M294 | F274-L278 HydrophobicContact CE1-CD1 4.29Å; F274-L278 HydrophobicContact CE1-CD2 4.4Å; F274-L278 HydrophobicContact CZ-CD1 4.19Å; F274-L278 WeakPolarHBondContact O-CB 3.36Å; F274-L278 PolarHBondContact O-N 3.03Å; S275-L278 PolarHBondContact O-N 3.28Å; V276-L278 VanDerWaalsContact C-N 3.31Å; V276-L278 PolarHBondContact O-N 2.87Å; L278-L281 PolarHBondContact O-N 3.44Å; L278-Y282 VanDerWaalsContact O-CB 3.27Å; L278-Y282 WeakPolarHBondContact O-CB 3.33Å; L278-Y282 PolarHBondContact O-N 2.91Å; L278-F290 HydrophobicContact CD1-CE2 3.56Å; L278-F290 HydrophobicContact CD1-CZ 3.62Å; L278-F290 HydrophobicContact CD2-CZ 4.09Å; L278-F290 HydrophobicContact CG-CE2 3.82Å; L278-F290 HydrophobicContact CG-CZ 3.57Å; L278-M294 HydrophobicContact CD1-CE 3.77Å; L278-M294 HydrophobicContact CD1-CG 4.28Å; L278-M294 HydrophobicContact CD1-SD 3.67Å |
| 279 | S | 76.3 | Confident | 80.7 | Confident | 53 Ų | 53 | 92.8 Ų | 92.8 | 37% | 0.371 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 175 | -61.2 | 0 | 0 | 0 | 0 | 112 | S275 V276 F277 Y282 F283 | S275-S279 VanDerWaalsContact O-CB 3.32Å; S275-S279 WeakPolarHBondContact O-CB 3.23Å; S275-S279 PolarHBondContact O-N 2.93Å; S275-S279 PolarHBondContact O-OG 3.17Å; V276-S279 WeakPolarHBondContact O-CB 3.32Å; V276-S279 PolarHBondContact O-N 3.49Å; F277-S279 VanDerWaalsContact C-N 3.34Å; F277-S279 PolarHBondContact O-N 2.89Å; S279-Y282 WeakPolarHBondContact O-CB 3.35Å; S279-Y282 PolarHBondContact O-N 2.84Å; S279-F283 VanDerWaalsContact O-CD2 3.28Å; S279-F283 WeakPolarHBondContact O-CD2 3.28Å; S279-F283 PolarHBondContact O-N 3.35Å |
| 280 | I | 81 | Confident | 80.5 | Confident | 88 Ų | 88 | 86.6 Ų | 86.6 | 45% | 0.451 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64 | -48.8 | 173 | -67.6 | 163.3 | 0 | 0 | 0 | 109.6 | V276 F277 Y282 F283 Y284 | V276-I280 HydrophobicContact CG1-CD1 3.98Å; V276-I280 WeakPolarHBondContact O-CG1 3.13Å; V276-I280 PolarHBondContact O-N 2.91Å; F277-I280 PolarHBondContact O-N 3.44Å; I280-Y282 PolarHBondContact O-N 2.81Å; I280-F283 PolarHBondContact O-N 3.16Å; I280-F283 VanDerWaalsContact O-N 3.14Å; I280-Y284 HydrophobicContact CG2-CD2 3.96Å; I280-Y284 HydrophobicContact CG2-CE2 4.26Å; I280-Y284 WeakPolarHBondContact O-CD2 3.45Å; I280-Y284 PolarHBondContact O-N 2.83Å |
| 281 | L | 78.2 | Confident | 80.4 | Confident | 71 Ų | 71 | 88.4 Ų | 88.4 | 37% | 0.372 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.6 | -30.2 | 177.7 | -170.3 | 63 | 0 | 0 | 0 | 112.4 | F277 L278 S285 F290 | F277-L281 HydrophobicContact CE1-CD2 4.37Å; F277-L281 WeakPolarHBondContact O-CB 3.22Å; F277-L281 PolarHBondContact O-N 3.15Å; L278-L281 PolarHBondContact O-N 3.44Å; L281-S285 WeakPolarHBondContact O-CB 3.21Å; L281-S285 PolarHBondContact O-N 2.96Å; L281-F290 HydrophobicContact CB-CD2 4.46Å; L281-F290 HydrophobicContact CD2-CD2 4.19Å; L281-F290 HydrophobicContact CD2-CE2 4.26Å; L281-F290 HydrophobicContact CG-CD2 4.06Å; L281-F290 HydrophobicContact CG-CE2 4.43Å |
| 282 | Y | 76.6 | Confident | 80.2 | Confident | 101 Ų | 101 | 93.4 Ų | 93.4 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -71.6 | -46.6 | 171.2 | 170.9 | -106.1 | 0 | 0 | 0 | 112.9 | L278 S279 I280 Y284 S285 L287 F290 | L278-Y282 VanDerWaalsContact O-CB 3.27Å; L278-Y282 WeakPolarHBondContact O-CB 3.33Å; L278-Y282 PolarHBondContact O-N 2.91Å; S279-Y282 WeakPolarHBondContact O-CB 3.35Å; S279-Y282 PolarHBondContact O-N 2.84Å; I280-Y282 PolarHBondContact O-N 2.81Å; Y282-Y284 VanDerWaalsContact C-N 3.31Å; Y282-Y284 PolarHBondContact O-N 2.82Å; Y282-S285 PolarHBondContact O-N 2.92Å; Y282-L287 HydrophobicContact CD2-CD1 4.23Å; Y282-L287 HydrophobicContact CE2-CB 3.96Å; Y282-L287 HydrophobicContact CE2-CD1 3.67Å; Y282-L287 HydrophobicContact CE2-CG 4.33Å; Y282-F290 HydrophobicContact CD2-CD1 4.14Å |
| 283 | F | 72.6 | Confident | 79.9 | Confident | 166 Ų | 166 | 95.1 Ų | 95.1 | 73% | 0.728 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.8 | -28.9 | 179.2 | -88.8 | -69.7 | 0 | 0 | 0 | 113.5 | S279 I280 | S279-F283 VanDerWaalsContact O-CD2 3.28Å; S279-F283 WeakPolarHBondContact O-CD2 3.28Å; S279-F283 PolarHBondContact O-N 3.35Å; I280-F283 PolarHBondContact O-N 3.16Å; I280-F283 VanDerWaalsContact O-N 3.14Å |
| 284 | Y | 76 | Confident | 79.7 | Confident | 207 Ų | 207 | 94.2 Ų | 94.2 | 81% | 0.812 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8 | 178.9 | -75.6 | -97.2 | 0 | 0 | 0 | 113.9 | I280 Y282 | I280-Y284 HydrophobicContact CG2-CD2 3.96Å; I280-Y284 HydrophobicContact CG2-CE2 4.26Å; I280-Y284 WeakPolarHBondContact O-CD2 3.45Å; I280-Y284 PolarHBondContact O-N 2.83Å; Y282-Y284 VanDerWaalsContact C-N 3.31Å; Y282-Y284 PolarHBondContact O-N 2.82Å |
| 285 | S | 76.3 | Confident | 79.6 | Confident | 45 Ų | 45 | 90.3 Ų | 90.3 | 32% | 0.315 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -135.9 | 165.9 | 177.6 | -166.8 | 0 | 0 | 0 | 0 | 111.1 | L281 Y282 | L281-S285 WeakPolarHBondContact O-CB 3.21Å; L281-S285 PolarHBondContact O-N 2.96Å; Y282-S285 PolarHBondContact O-N 2.92Å |
| 286 | S | 76.4 | Confident | 79.7 | Confident | 47 Ų | 47 | 90 Ų | 90 | 33% | 0.329 | 47% | 0.466 | S | S | . | . | trans | -79.4 | 139.2 | 168.7 | 70.1 | 0 | 0 | 0 | 0 | 109.4 | S288 R289 F290 | S286-S288 PolarHBondContact O-N 3.28Å; S286-S288 PolarHBondContact OG-OG 3.12Å; S286-R289 PolarHBondContact O-N 2.85Å; S286-R289 WeakPolarHBondContact OG-CD 3.4Å; S286-R289 VanDerWaalsContact OG-CG 3.29Å; S286-R289 WeakPolarHBondContact OG-CG 3.4Å; S286-F290 PolarHBondContact O-N 3.32Å | ||
| 287 | L | 74.8 | Confident | 79.6 | Confident | 95 Ų | 95 | 89.8 Ų | 89.8 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -43 | -43.4 | 178.3 | 175 | 60.6 | 0 | 0 | 0 | 112.7 | Y282 L291 | Y282-L287 HydrophobicContact CD2-CD1 4.23Å; Y282-L287 HydrophobicContact CE2-CB 3.96Å; Y282-L287 HydrophobicContact CE2-CD1 3.67Å; Y282-L287 HydrophobicContact CE2-CG 4.33Å; L287-L291 HydrophobicContact CD1-CD1 3.72Å; L287-L291 HydrophobicContact CD1-CG 3.96Å; L287-L291 HydrophobicContact CG-CD1 4.08Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.3Å; L287-L291 PolarHBondContact O-N 2.76Å |
| 288 | S | 75.3 | Confident | 79.6 | Confident | 86 Ų | 86 | 87.4 Ų | 87.4 | 60% | 0.601 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -61.4 | -45.4 | 176.3 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | S286 M292 | S286-S288 PolarHBondContact O-N 3.28Å; S286-S288 PolarHBondContact OG-OG 3.12Å; S288-M292 VanDerWaalsContact O-CB 3.31Å; S288-M292 WeakPolarHBondContact O-CB 3.45Å; S288-M292 PolarHBondContact O-N 3.45Å |
| 289 | R | 78.4 | Confident | 79.9 | Confident | 177 Ų | 177 | 89.5 Ų | 89.5 | 67% | 0.668 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -72 | -42.1 | 179.3 | -71.9 | 173.2 | -178.4 | 168.9 | 0.6 | 111 | S286 M292 V293 | S286-R289 PolarHBondContact O-N 2.85Å; S286-R289 WeakPolarHBondContact OG-CD 3.4Å; S286-R289 VanDerWaalsContact OG-CG 3.29Å; S286-R289 WeakPolarHBondContact OG-CG 3.4Å; R289-M292 PolarHBondContact O-N 3.18Å; R289-V293 WeakPolarHBondContact O-CG2 3.32Å; R289-V293 PolarHBondContact O-N 3.46Å |
| 290 | F | 82.8 | Confident | 80.2 | Confident | 23 Ų | 23 | 93.8 Ų | 93.8 | 10% | 0.101 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -57.9 | -51.9 | 174 | 165.4 | -101.4 | 0 | 0 | 0 | 111.7 | L278 L281 Y282 S286 M292 V293 M294 | L278-F290 HydrophobicContact CD1-CE2 3.56Å; L278-F290 HydrophobicContact CD1-CZ 3.62Å; L278-F290 HydrophobicContact CD2-CZ 4.09Å; L278-F290 HydrophobicContact CG-CE2 3.82Å; L278-F290 HydrophobicContact CG-CZ 3.57Å; L281-F290 HydrophobicContact CB-CD2 4.46Å; L281-F290 HydrophobicContact CD2-CD2 4.19Å; L281-F290 HydrophobicContact CD2-CE2 4.26Å; L281-F290 HydrophobicContact CG-CD2 4.06Å; L281-F290 HydrophobicContact CG-CE2 4.43Å; Y282-F290 HydrophobicContact CD2-CD1 4.14Å; S286-F290 PolarHBondContact O-N 3.32Å; F290-M292 PolarHBondContact O-N 3.07Å; F290-V293 PolarHBondContact O-N 3.46Å; F290-M294 HydrophobicContact CD2-CG 4.05Å; F290-M294 HydrophobicContact CE1-CG 4.38Å; F290-M294 HydrophobicContact CE2-CG 3.5Å; F290-M294 HydrophobicContact CE2-SD 4.28Å; F290-M294 HydrophobicContact CZ-CG 3.68Å; F290-M294 WeakPolarHBondContact O-CB 3.49Å; F290-M294 WeakPolarHBondContact O-CG 3.4Å; F290-M294 PolarHBondContact O-N 2.87Å |
| 291 | L | 82.1 | Confident | 80.4 | Confident | 100 Ų | 100 | 97.1 Ų | 97.1 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 177.9 | -72.9 | 177.2 | 0 | 0 | 0 | 112.7 | L287 G295 | L287-L291 HydrophobicContact CD1-CD1 3.72Å; L287-L291 HydrophobicContact CD1-CG 3.96Å; L287-L291 HydrophobicContact CG-CD1 4.08Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.3Å; L287-L291 PolarHBondContact O-N 2.76Å; L291-G295 PolarHBondContact O-N 3.38Å |
| 292 | M | 81.3 | Confident | 80.7 | Confident | 144 Ų | 144 | 96.1 Ų | 96.1 | 71% | 0.709 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.7 | -48 | 174.7 | 179.9 | -172.3 | 169.4 | 0 | 0 | 111.6 | S288 R289 F290 G295 A296 | S288-M292 VanDerWaalsContact O-CB 3.31Å; S288-M292 WeakPolarHBondContact O-CB 3.45Å; S288-M292 PolarHBondContact O-N 3.45Å; R289-M292 PolarHBondContact O-N 3.18Å; F290-M292 PolarHBondContact O-N 3.07Å; M292-G295 PolarHBondContact O-N 2.96Å; M292-A296 VanDerWaalsContact O-CB 3.32Å; M292-A296 WeakPolarHBondContact O-CB 3.32Å; M292-A296 PolarHBondContact O-N 2.81Å |
| 293 | V | 82.9 | Confident | 80.9 | Confident | 87 Ų | 87 | 97.8 Ų | 97.8 | 53% | 0.527 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -47 | -179.3 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | R289 F290 G295 A296 T297 | R289-V293 WeakPolarHBondContact O-CG2 3.32Å; R289-V293 PolarHBondContact O-N 3.46Å; F290-V293 PolarHBondContact O-N 3.46Å; V293-G295 VanDerWaalsContact C-N 3.34Å; V293-G295 PolarHBondContact O-N 3.48Å; V293-A296 PolarHBondContact O-N 3.16Å; V293-T297 PolarHBondContact O-N 2.87Å; V293-T297 PolarHBondContact O-OG1 2.94Å; V293-T297 VanDerWaalsContact O-OG1 3.09Å |
| 294 | M | 84.6 | Confident | 80.9 | Confident | 51 Ų | 51 | 97.7 Ų | 97.7 | 25% | 0.251 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 175.2 | -75.2 | -59.5 | -60 | 0 | 0 | 112.1 | F274 L278 F290 T297 V298 | F274-M294 HydrophobicContact CZ-CE 4.28Å; L278-M294 HydrophobicContact CD1-CE 3.77Å; L278-M294 HydrophobicContact CD1-CG 4.28Å; L278-M294 HydrophobicContact CD1-SD 3.67Å; F290-M294 HydrophobicContact CD2-CG 4.05Å; F290-M294 HydrophobicContact CE1-CG 4.38Å; F290-M294 HydrophobicContact CE2-CG 3.5Å; F290-M294 HydrophobicContact CE2-SD 4.28Å; F290-M294 HydrophobicContact CZ-CG 3.68Å; F290-M294 WeakPolarHBondContact O-CB 3.49Å; F290-M294 WeakPolarHBondContact O-CG 3.4Å; F290-M294 PolarHBondContact O-N 2.87Å; M294-T297 PolarHBondContact O-N 2.85Å; M294-V298 WeakPolarHBondContact O-CB 3.42Å; M294-V298 VanDerWaalsContact O-CG2 3.28Å; M294-V298 WeakPolarHBondContact O-CG2 3.41Å; M294-V298 PolarHBondContact O-N 3.34Å |
| 295 | G | 84.8 | Confident | 80.7 | Confident | 34 Ų | 34 | 92.1 Ų | 92.1 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.5 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L291 M292 V293 V298 V299 | L291-G295 PolarHBondContact O-N 3.38Å; M292-G295 PolarHBondContact O-N 2.96Å; V293-G295 VanDerWaalsContact C-N 3.34Å; V293-G295 PolarHBondContact O-N 3.48Å; G295-V298 PolarHBondContact O-N 2.65Å; G295-V299 WeakPolarHBondContact O-CB 3.42Å; G295-V299 WeakPolarHBondContact O-CG2 3.3Å; G295-V299 PolarHBondContact O-N 2.92Å |
| 296 | A | 82.6 | Confident | 80.1 | Confident | 57 Ų | 57 | 92 Ų | 92 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M292 V293 V299 M300 | M292-A296 VanDerWaalsContact O-CB 3.32Å; M292-A296 WeakPolarHBondContact O-CB 3.32Å; M292-A296 PolarHBondContact O-N 2.81Å; V293-A296 PolarHBondContact O-N 3.16Å; A296-V299 PolarHBondContact O-N 3.2Å; A296-M300 VanDerWaalsContact O-CB 3.29Å; A296-M300 WeakPolarHBondContact O-CB 3.43Å; A296-M300 PolarHBondContact O-N 3.37Å |
| 297 | T | 83.9 | Confident | 79.5 | Confident | 84 Ų | 84 | 99.1 Ų | 99.1 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 175 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | V293 M294 M300 Y301 | V293-T297 PolarHBondContact O-N 2.87Å; V293-T297 PolarHBondContact O-OG1 2.94Å; V293-T297 VanDerWaalsContact O-OG1 3.09Å; M294-T297 PolarHBondContact O-N 2.85Å; T297-M300 PolarHBondContact O-N 3.02Å; T297-Y301 WeakPolarHBondContact O-CB 3.28Å; T297-Y301 PolarHBondContact O-N 3.13Å |
| 298 | V | 85.8 | Confident | 78.5 | Confident | 75 Ų | 75 | 99.8 Ų | 99.8 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -46 | 175 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | M294 G295 M300 Y301 L302 | M294-V298 WeakPolarHBondContact O-CB 3.42Å; M294-V298 VanDerWaalsContact O-CG2 3.28Å; M294-V298 WeakPolarHBondContact O-CG2 3.41Å; M294-V298 PolarHBondContact O-N 3.34Å; G295-V298 PolarHBondContact O-N 2.65Å; V298-M300 PolarHBondContact O-N 3.33Å; V298-Y301 PolarHBondContact O-N 2.85Å; V298-L302 HydrophobicContact CG1-CD1 3.79Å; V298-L302 WeakPolarHBondContact O-CB 3.29Å; V298-L302 WeakPolarHBondContact O-CD1 3.36Å; V298-L302 PolarHBondContact O-N 3.31Å |
| 299 | V | 86.1 | Confident | 77.7 | Confident | 88 Ų | 88 | 101 Ų | 101 | 53% | 0.533 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -41.5 | 176.3 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | G295 A296 L302 H303 | G295-V299 WeakPolarHBondContact O-CB 3.42Å; G295-V299 WeakPolarHBondContact O-CG2 3.3Å; G295-V299 PolarHBondContact O-N 2.92Å; A296-V299 PolarHBondContact O-N 3.2Å; V299-L302 PolarHBondContact O-N 2.9Å; V299-H303 WeakPolarHBondContact O-CB 3.27Å; V299-H303 PolarHBondContact O-N 2.85Å |
| 300 | M | 82.7 | Confident | 76.5 | Confident | 143 Ų | 143 | 100.8 Ų | 100.8 | 70% | 0.704 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 175.7 | -175 | 176 | 179 | 0 | 0 | 112 | A296 T297 V298 H303 H304 | A296-M300 VanDerWaalsContact O-CB 3.29Å; A296-M300 WeakPolarHBondContact O-CB 3.43Å; A296-M300 PolarHBondContact O-N 3.37Å; T297-M300 PolarHBondContact O-N 3.02Å; V298-M300 PolarHBondContact O-N 3.33Å; M300-H303 PolarHBondContact O-N 3.21Å; M300-H304 WeakPolarHBondContact O-CB 3.11Å; M300-H304 PolarHBondContact O-N 2.9Å |
| 301 | Y | 84.9 | Confident | 75 | Confident | 159 Ų | 159 | 110.2 Ų | 110.2 | 62% | 0.624 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.9 | -44.6 | 173.6 | -179.1 | -103.2 | 0 | 0 | 0 | 111.9 | T297 V298 H303 H304 V305 | T297-Y301 WeakPolarHBondContact O-CB 3.28Å; T297-Y301 PolarHBondContact O-N 3.13Å; V298-Y301 PolarHBondContact O-N 2.85Å; Y301-H303 VanDerWaalsContact C-N 3.29Å; Y301-H303 PolarHBondContact O-N 2.97Å; Y301-H304 PolarHBondContact O-N 3.18Å; Y301-H304 VanDerWaalsContact O-N 3.11Å; Y301-V305 HydrophobicContact CD1-CG2 4.17Å; Y301-V305 HydrophobicContact CD2-CG2 4.31Å; Y301-V305 HydrophobicContact CE1-CG2 3.77Å; Y301-V305 HydrophobicContact CE2-CG2 3.93Å; Y301-V305 HydrophobicContact CG-CG2 4.42Å; Y301-V305 WeakPolarHBondContact O-CB 3.35Å; Y301-V305 WeakPolarHBondContact O-CG2 3.46Å; Y301-V305 PolarHBondContact O-N 3.1Å |
| 302 | L | 84.9 | Confident | 73.6 | Confident | 50 Ų | 50 | 111.1 Ų | 111.1 | 26% | 0.262 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -59.5 | -38.7 | 174.7 | -96.2 | 70.9 | 0 | 0 | 0 | 112.7 | V298 V299 G306 W307 | V298-L302 HydrophobicContact CG1-CD1 3.79Å; V298-L302 WeakPolarHBondContact O-CB 3.29Å; V298-L302 WeakPolarHBondContact O-CD1 3.36Å; V298-L302 PolarHBondContact O-N 3.31Å; V299-L302 PolarHBondContact O-N 2.9Å; L302-G306 PolarHBondContact O-N 2.97Å; L302-G306 VanDerWaalsContact O-N 3.16Å; L302-W307 HydrophobicContact CD2-CE3 3.58Å; L302-W307 HydrophobicContact CD2-CZ3 3.75Å; L302-W307 HydrophobicContact CG-CE3 3.81Å; L302-W307 HydrophobicContact CG-CZ3 4.3Å; L302-W307 PolarHBondContact O-N 3.02Å |
| 303 | H | 79.1 | Confident | 71.6 | Confident | 136 Ų | 136 | 115.3 Ų | 115.3 | 63% | 0.63 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.6 | -45 | 172.8 | -178 | -90.7 | 0 | 0 | 0 | 111.5 | V299 M300 Y301 G306 F308 | V299-H303 WeakPolarHBondContact O-CB 3.27Å; V299-H303 PolarHBondContact O-N 2.85Å; M300-H303 PolarHBondContact O-N 3.21Å; Y301-H303 VanDerWaalsContact C-N 3.29Å; Y301-H303 PolarHBondContact O-N 2.97Å; H303-G306 PolarHBondContact O-N 3.03Å; H303-G306 VanDerWaalsContact O-N 3.12Å; H303-F308 HydrophobicContact CB-CE2 4.47Å |
| 304 | H | 72.8 | Confident | 69.7 | Low | 164 Ų | 164 | 118.2 Ų | 118.2 | 76% | 0.759 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.6 | -32.6 | 178.9 | -164.4 | -63.6 | 0 | 0 | 0 | 113.6 | M300 Y301 | M300-H304 WeakPolarHBondContact O-CB 3.11Å; M300-H304 PolarHBondContact O-N 2.9Å; Y301-H304 PolarHBondContact O-N 3.18Å; Y301-H304 VanDerWaalsContact O-N 3.11Å |
| 305 | V | 72.9 | Confident | 67.6 | Low | 89 Ų | 89 | 121.4 Ų | 121.4 | 54% | 0.539 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -76.1 | -13.8 | 173 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | Y301 | Y301-V305 HydrophobicContact CD1-CG2 4.17Å; Y301-V305 HydrophobicContact CD2-CG2 4.31Å; Y301-V305 HydrophobicContact CE1-CG2 3.77Å; Y301-V305 HydrophobicContact CE2-CG2 3.93Å; Y301-V305 HydrophobicContact CG-CG2 4.42Å; Y301-V305 WeakPolarHBondContact O-CB 3.35Å; Y301-V305 WeakPolarHBondContact O-CG2 3.46Å; Y301-V305 PolarHBondContact O-N 3.1Å |
| 306 | G | 62.8 | Low | 65.4 | Low | 44 Ų | 44 | 126.2 Ų | 126.2 | 45% | 0.454 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 74 | 26.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L302 H303 F308 | L302-G306 PolarHBondContact O-N 2.97Å; L302-G306 VanDerWaalsContact O-N 3.16Å; H303-G306 PolarHBondContact O-N 3.03Å; H303-G306 VanDerWaalsContact O-N 3.12Å; G306-F308 PolarHBondContact O-N 3.4Å |
| 307 | W | 64 | Low | 63.3 | Low | 195 Ų | 195 | 130.5 Ų | 130.5 | 74% | 0.739 | 65% | 0.646 | S | S | * | * | trans | -69.4 | -13.8 | -179.6 | -173.9 | 18.7 | 0 | 0 | 0 | 113 | L302 P309 | L302-W307 HydrophobicContact CD2-CE3 3.58Å; L302-W307 HydrophobicContact CD2-CZ3 3.75Å; L302-W307 HydrophobicContact CG-CE3 3.81Å; L302-W307 HydrophobicContact CG-CZ3 4.3Å; L302-W307 PolarHBondContact O-N 3.02Å; W307-P309 VanDerWaalsContact O-CD 3.31Å; W307-P309 WeakPolarHBondContact O-CD 3.15Å | ||
| 308 | F | 54.7 | Low | 61.1 | Low | 109 Ų | 109 | 133.6 Ų | 133.6 | 48% | 0.478 | 65% | 0.653 | S | S | . | * | trans | -68.7 | 117.6 | 170.4 | -70.2 | -76.2 | 0 | 0 | 0 | 110.7 | H303 G306 F310 | H303-F308 HydrophobicContact CB-CE2 4.47Å; G306-F308 PolarHBondContact O-N 3.4Å; F308-F310 PolarHBondContact O-N 3.4Å | ||
| 309 | P | 56.8 | Low | 59 | Low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | trans | -71.5 | -0.7 | -177.4 | 31 | -36.7 | 0 | 0 | 0 | 113.4 | W307 R311 | W307-P309 VanDerWaalsContact O-CD 3.31Å; W307-P309 WeakPolarHBondContact O-CD 3.15Å; P309-R311 PolarHBondContact O-N 3.03Å | ||
| 310 | F | 54.3 | Low | 56.7 | Low | 173 Ų | 173 | 138.5 Ų | 138.5 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | trans | -80.9 | 61 | 177.4 | -55.9 | -69.3 | 0 | 0 | 0 | 111.9 | F308 P312 | F308-F310 PolarHBondContact O-N 3.4Å; F310-P312 WeakPolarHBondContact O-CD 3.48Å | ||
| 311 | R | 50.2 | Low | 54.4 | Low | 222 Ų | 222 | 138.9 Ų | 138.9 | 84% | 0.838 | 68% | 0.684 | S | S | * | * | trans | -79.9 | 115.1 | 146.3 | -68.3 | -168.9 | -176.7 | -153.3 | 1.2 | 106.6 | P309 R313 | P309-R311 PolarHBondContact O-N 3.03Å; R311-R313 PolarHBondContact O-N 3.44Å; R311-R313 VanDerWaalsContact O-N 3.11Å | ||
| 312 | P | 52.7 | Low | 52.2 | Low | 119 Ų | 119 | 133.9 Ų | 133.9 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | trans | -52.6 | 123.3 | 158.1 | -19.8 | 32.3 | 0 | 0 | 0 | 106.6 | F310 L314 | F310-P312 WeakPolarHBondContact O-CD 3.48Å; P312-L314 PolarHBondContact O-N 3.3Å | ||
| 313 | R | 39.3 | Very low | 50.1 | Low | 231 Ų | 231 | 137.4 Ų | 137.4 | 87% | 0.872 | 71% | 0.707 | S | S | * | * | trans | -69.5 | 87.5 | 172 | -175.9 | -172.8 | -66.6 | -166.2 | -0.2 | 106.3 | R311 V315 | R311-R313 PolarHBondContact O-N 3.44Å; R311-R313 VanDerWaalsContact O-N 3.11Å; R313-V315 PolarHBondContact O-N 2.89Å | ||
| 314 | L | 43.1 | Very low | 48.5 | Very low | 148 Ų | 148 | 137 Ų | 137 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | -52.3 | 117.1 | 169.2 | -177.1 | 143.1 | 0 | 0 | 0 | 106 | P312 Q316 | P312-L314 PolarHBondContact O-N 3.3Å; L314-Q316 PolarHBondContact O-N 3.4Å | ||
| 315 | V | 42.3 | Very low | 47 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | trans | -70.6 | 91.7 | -176.1 | 177.2 | 0 | 0 | 0 | 0 | 106.4 | R313 N317 | R313-V315 PolarHBondContact O-N 2.89Å; V315-N317 VanDerWaalsContact C-N 3.27Å; V315-N317 PolarHBondContact O-N 3.12Å | ||
| 316 | Q | 37.4 | Very low | 45.3 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 63% | 0.631 | 73% | 0.728 | S | S | * | * | trans | -66 | 95.4 | 171.8 | -172 | 171.5 | 5 | 0 | 0 | 106.2 | L314 F318 | L314-Q316 PolarHBondContact O-N 3.4Å; Q316-F318 VanDerWaalsContact C-N 3.28Å; Q316-F318 HydrophobicContact CB-CD2 4.33Å; Q316-F318 HydrophobicContact CB-CE2 3.97Å; Q316-F318 VanDerWaalsContact CD-CZ 3.5Å; Q316-F318 HydrophobicContact CG-CD2 4.06Å; Q316-F318 HydrophobicContact CG-CE2 3.57Å; Q316-F318 HydrophobicContact CG-CZ 3.93Å; Q316-F318 WeakPolarHBondContact O-CD2 3.12Å; Q316-F318 PolarHBondContact O-N 2.97Å | ||
| 317 | N | 38.6 | Very low | 44.3 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | -75.2 | 83.3 | -171.4 | -161.9 | 32.2 | 0 | 0 | 0 | 108.8 | V315 P319 | V315-N317 VanDerWaalsContact C-N 3.27Å; V315-N317 PolarHBondContact O-N 3.12Å; N317-P319 WeakPolarHBondContact O-CD 3.41Å | ||
| 318 | F | 38.1 | Very low | 43 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | trans | -69.2 | 122.5 | 176.8 | -77.6 | -83.7 | 0 | 0 | 0 | 109.7 | Q316 | Q316-F318 VanDerWaalsContact C-N 3.28Å; Q316-F318 HydrophobicContact CB-CD2 4.33Å; Q316-F318 HydrophobicContact CB-CE2 3.97Å; Q316-F318 VanDerWaalsContact CD-CZ 3.5Å; Q316-F318 HydrophobicContact CG-CD2 4.06Å; Q316-F318 HydrophobicContact CG-CE2 3.57Å; Q316-F318 HydrophobicContact CG-CZ 3.93Å; Q316-F318 WeakPolarHBondContact O-CD2 3.12Å; Q316-F318 PolarHBondContact O-N 2.97Å | ||
| 319 | P | 42.3 | Very low | 42.3 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -59.1 | 140.3 | 163.5 | -20.1 | 33.8 | 0 | 0 | 0 | 110 | N317 D321 | N317-P319 WeakPolarHBondContact O-CD 3.41Å; P319-D321 PolarHBondContact O-N 3.31Å | ||
| 320 | N | 36.3 | Very low | 41.1 | Very low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -90.1 | 89.1 | -180 | 175.6 | 80.4 | 0 | 0 | 0 | 110.2 | ||||
| 321 | D | 34.9 | Very low | 40.2 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | -86.9 | 111.8 | 173.2 | -75 | -43.9 | 0 | 0 | 0 | 111.3 | P319 | P319-D321 PolarHBondContact O-N 3.31Š| ||
| 322 | G | 39.2 | Very low | 39.9 | Very low | 54 Ų | 54 | 137.8 Ų | 137.8 | 56% | 0.557 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 171.4 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 323 | P | 40.9 | Very low | 39 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 145.3 | -176.1 | 29 | -35.2 | 0 | 0 | 0 | 112.7 | ||
| 324 | P | 44.1 | Very low | 38.6 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 148.2 | -176.2 | 34 | -35.9 | 0 | 0 | 0 | 113.1 | ||
| 325 | P | 42.8 | Very low | 38 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | trans | -122.3 | 131 | 152.8 | 33.7 | -21.5 | 0 | 0 | 0 | 113.3 | ||||
| 326 | D | 35.7 | Very low | 37.6 | Very low | 157 Ų | 157 | 134.8 Ų | 134.8 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | 62 | 128.1 | 145.3 | -54.9 | -34.7 | 0 | 0 | 0 | 122.8 | ||||
| 327 | V | 43.4 | Very low | 37.3 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | trans | -86 | 112.9 | -179 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 328 | V | 35.3 | Very low | 36.9 | Very low | 124 Ų | 124 | 136 Ų | 136 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | -97.5 | 108.1 | 167.7 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | Q330 | V328-Q330 HydrophobicContact CG1-CG 4.21Š| ||
| 329 | N | 41 | Very low | 36.4 | Very low | 143 Ų | 143 | 132 Ų | 132 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | -82.5 | 121.7 | 166 | -67.2 | -90.8 | 0 | 0 | 0 | 108.9 | ||||
| 330 | Q | 31.8 | Very low | 35.8 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -144.7 | 144.1 | 160.6 | -72.2 | -160.6 | -12 | 0 | 0 | 112.1 | V328 | V328-Q330 HydrophobicContact CG1-CG 4.21Š| ||
| 331 | D | 35.3 | Very low | 35.5 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -75.4 | 153.8 | -175.8 | -76.9 | -86.3 | 0 | 0 | 0 | 114.3 | N333 | D331-N333 PolarHBondContact O-N 3.14Å; D331-N333 VanDerWaalsContact O-N 3.08Å | ||
| 332 | P | 43.9 | Very low | 36.5 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 84% | 0.844 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -87.8 | 63.9 | -172.3 | 36.9 | -38.1 | 0 | 0 | 0 | 113.9 | ||
| 333 | N | 33.6 | Very low | 36.3 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -160.1 | 103.5 | 165.8 | -167.8 | 13.8 | 0 | 0 | 0 | 115.9 | D331 | D331-N333 PolarHBondContact O-N 3.14Å; D331-N333 VanDerWaalsContact O-N 3.08Å | ||
| 334 | N | 30.7 | Very low | 35.9 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | -161.8 | 176.4 | 127.6 | -129.7 | -31 | 0 | 0 | 0 | 113.8 | |||||
| 335 | N | 30.3 | Very low | 35.6 | Very low | 126 Ų | 126 | 137.8 Ų | 137.8 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | trans | -110 | 165.2 | -170.3 | -91.3 | -107.1 | 0 | 0 | 0 | 114.9 | ||||
| 336 | L | 33 | Very low | 35.2 | Very low | 139 Ų | 139 | 139.9 Ų | 139.9 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | trans | 80.7 | 159 | 149.8 | -108.4 | 67.3 | 0 | 0 | 0 | 121 | ||||
| 337 | Q | 31 | Very low | 35.8 | Very low | 135 Ų | 135 | 136.8 Ų | 136.8 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | trans | 63.2 | 122 | -179.6 | -89.3 | 41 | 71.1 | 0 | 0 | 116 | ||||
| 338 | E | 31.3 | Very low | 35.3 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | 87.7 | 125 | 54.6 | -176 | -176.2 | 137.4 | 0 | 0 | 111.8 | |||||
| 339 | G | 27.9 | Very low | 35.1 | Very low | 66 Ų | 66 | 140.4 Ų | 140.4 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | cis | 178.7 | -169.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 340 | T | 28.5 | Very low | 34.8 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | trans | 72.4 | 89.6 | 156.3 | -50 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 341 | D | 30.3 | Very low | 36 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | 15.5 | 162.6 | 112 | -71.2 | -37.7 | 0 | 0 | 0 | 121.4 | |||||
| 342 | P | 55.9 | Low | 36.5 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | cis | -143.6 | -157.9 | -27.7 | 38.8 | -17.8 | 0 | 0 | 0 | 113.4 | ||||
| 343 | E | 34.8 | Very low | 36.1 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | 76.2 | 155.4 | 149.6 | -100.5 | -168 | 74.1 | 0 | 0 | 120.1 | ||||
| 344 | T | 32.8 | Very low | 36.2 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | cis | -137.6 | 160.3 | 2.1 | -41.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 345 | E | 38.1 | Very low | 36.3 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -80.4 | 159 | 170.5 | -59.7 | 172.6 | 85.7 | 0 | 0 | 113.6 | ||||
| 346 | D | 34.3 | Very low | 36.7 | Very low | 154 Ų | 154 | 139 Ų | 139 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | -169.7 | 133.6 | 123.6 | -162.9 | 39 | 0 | 0 | 0 | 111.1 | |||||
| 347 | P | 47.8 | Very low | 37.2 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 59% | 0.591 | 76% | 0.756 | S | S | * | * | trans | -104.8 | 158.1 | 174.7 | 37.9 | -31.8 | 0 | 0 | 0 | 112.9 | ||||
| 348 | N | 32.8 | Very low | 37.4 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 168.3 | 114.2 | 143.4 | -96.6 | -60.6 | 0 | 0 | 0 | 112.9 | ||||
| 349 | H | 31.2 | Very low | 37.5 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | -179.4 | 150.4 | 115.3 | -117.4 | -85.7 | 0 | 0 | 0 | 113.7 | |||||
| 350 | L | 35.8 | Very low | 37.7 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -122.4 | 168.4 | 168.9 | -87.7 | 170.8 | 0 | 0 | 0 | 110.3 | ||||
| 351 | P | 57 | Low | 38.2 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | trans | -103.2 | 174.4 | -149.5 | 40.8 | -39.6 | 0 | 0 | 0 | 115.7 | ||||
| 352 | P | 44.9 | Very low | 38.5 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | trans | -89.7 | 170.7 | 159.7 | 36.3 | -31.7 | 0 | 0 | 0 | 113.1 | ||||
| 353 | D | 35.7 | Very low | 38.2 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 65% | 0.647 | 77% | 0.772 | S | S | * | * | trans | -125.7 | 165.2 | -166.9 | 179.5 | 36.3 | 0 | 0 | 0 | 112.2 | ||||
| 354 | R | 36.8 | Very low | 39.1 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | 54.2 | 134.9 | 161 | -87.3 | 170.6 | 169.8 | 89.9 | -3.3 | 120.7 | ||||
| 355 | D | 31.5 | Very low | 40.6 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | -146.4 | 148.7 | 126.8 | -129.4 | -30.2 | 0 | 0 | 0 | 111.1 | |||||
| 356 | V | 38.6 | Very low | 42.1 | Very low | 112 Ų | 112 | 138 Ų | 138 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | trans | -152.5 | 108.9 | -171 | 177.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 357 | L | 44 | Very low | 43.6 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | 172.4 | 131.8 | 135.8 | -101.4 | 157.4 | 0 | 0 | 0 | 112.8 | ||||
| 358 | D | 34.5 | Very low | 44.6 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | trans | 165.9 | 146.3 | 133.8 | -90.4 | -16.7 | 0 | 0 | 0 | 109.3 | ||||
| 359 | G | 33.8 | Very low | 46.6 | Very low | 63 Ų | 63 | 132.6 Ų | 132.6 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | cis | 176.4 | -0.1 | -1.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q361 | G359-Q361 PolarHBondContact O-N 3.42Š| ||
| 360 | E | 31.7 | Very low | 48.8 | Very low | 173 Ų | 173 | 126.6 Ų | 126.6 | 81% | 0.808 | 71% | 0.708 | S | S | * | * | trans | -87.6 | 102.6 | -167 | -168.7 | 79.7 | 109.1 | 0 | 0 | 113.6 | T362 | E360-T362 HydrophobicContact CG-CG2 4.33Å; E360-T362 PolarHBondContact O-N 2.84Å; E360-T362 VanDerWaalsContact O-N 3.11Å | ||
| 361 | Q | 39.1 | Very low | 50.8 | Low | 191 Ų | 191 | 126.2 Ų | 126.2 | 89% | 0.893 | 70% | 0.696 | S | S | * | * | trans | -82.1 | 77.7 | 174 | -68.7 | -170.6 | 11.7 | 0 | 0 | 112.5 | G359 S363 | G359-Q361 PolarHBondContact O-N 3.42Å; Q361-S363 PolarHBondContact O-N 2.89Å | ||
| 362 | T | 37.7 | Very low | 52.2 | Low | 121 Ų | 121 | 126.6 Ų | 126.6 | 74% | 0.742 | 69% | 0.691 | S | S | * | * | trans | -70.6 | 124.9 | 158.9 | 56.4 | 0 | 0 | 0 | 0 | 109.4 | E360 | E360-T362 HydrophobicContact CG-CG2 4.33Å; E360-T362 PolarHBondContact O-N 2.84Å; E360-T362 VanDerWaalsContact O-N 3.11Å | ||
| 363 | S | 48.9 | Very low | 54.1 | Low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | -58.5 | 143 | -178.2 | 53.2 | 0 | 0 | 0 | 0 | 112 | Q361 S365 | Q361-S363 PolarHBondContact O-N 2.89Å; S363-S365 PolarHBondContact O-N 3.36Å | ||
| 364 | P | 53.3 | Low | 56.2 | Low | 103 Ų | 103 | 124.1 Ų | 124.1 | 67% | 0.669 | 67% | 0.669 | S | S | * | * | trans | -67.2 | 99.3 | -179.8 | 27.2 | -34 | 0 | 0 | 0 | 109.7 | F366 | P364-F366 PolarHBondContact O-N 3.09Š| ||
| 365 | S | 65.9 | Low | 58.2 | Low | 68 Ų | 68 | 120.4 Ų | 120.4 | 48% | 0.476 | 66% | 0.658 | S | S | . | * | trans | -49.4 | 140.2 | 171.1 | 172.2 | 0 | 0 | 0 | 0 | 109.9 | S363 M367 S368 T369 | S363-S365 PolarHBondContact O-N 3.36Å; S365-M367 PolarHBondContact O-N 3.2Å; S365-M367 PolarHBondContact OG-N 2.95Å; S365-S368 WeakPolarHBondContact O-CA 3.44Å; S365-S368 WeakPolarHBondContact O-CB 3.35Å; S365-S368 PolarHBondContact O-N 3.11Å; S365-T369 PolarHBondContact O-N 2.91Å; S365-T369 VanDerWaalsContact O-N 3.17Å | ||
| 366 | F | 68.4 | Low | 60.4 | Low | 188 Ų | 188 | 116.3 Ų | 116.3 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -52.2 | -29.2 | 175.5 | -73.7 | -86.7 | 0 | 0 | 0 | 112.5 | P364 A370 | P364-F366 PolarHBondContact O-N 3.09Å; F366-A370 WeakPolarHBondContact O-CB 3.09Å; F366-A370 PolarHBondContact O-N 3.47Å |
| 367 | M | 65.4 | Low | 62.2 | Low | 145 Ų | 145 | 116.9 Ų | 116.9 | 71% | 0.714 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64 | -39.9 | 172.1 | -64.2 | -97.9 | 77.7 | 0 | 0 | 112.8 | S365 W371 | S365-M367 PolarHBondContact O-N 3.2Å; S365-M367 PolarHBondContact OG-N 2.95Å; M367-W371 WeakPolarHBondContact O-CB 3.29Å; M367-W371 PolarHBondContact O-N 2.78Å |
| 368 | S | 69.8 | Low | 63.5 | Low | 68 Ų | 68 | 114.3 Ų | 114.3 | 48% | 0.476 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -68.7 | -44.4 | 177.7 | -169.1 | 0 | 0 | 0 | 0 | 111.3 | S365 W371 L372 | S365-S368 WeakPolarHBondContact O-CA 3.44Å; S365-S368 WeakPolarHBondContact O-CB 3.35Å; S365-S368 PolarHBondContact O-N 3.11Å; S368-W371 PolarHBondContact O-N 2.94Å; S368-L372 WeakPolarHBondContact O-CB 3.15Å; S368-L372 PolarHBondContact O-N 3.38Å |
| 369 | T | 75.1 | Confident | 65 | Low | 68 Ų | 68 | 109.5 Ų | 109.5 | 42% | 0.417 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.2 | -43.2 | 175.3 | -47.9 | 0 | 0 | 0 | 0 | 111.5 | S365 W371 L372 V373 | S365-T369 PolarHBondContact O-N 2.91Å; S365-T369 VanDerWaalsContact O-N 3.17Å; T369-W371 PolarHBondContact O-N 2.96Å; T369-L372 PolarHBondContact O-N 3.44Å; T369-V373 WeakPolarHBondContact O-CG2 3.44Å; T369-V373 PolarHBondContact O-N 2.88Å |
| 370 | A | 75.9 | Confident | 66.5 | Low | 55 Ų | 55 | 111.4 Ų | 111.4 | 46% | 0.455 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.4 | -37.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F366 V373 F374 | F366-A370 WeakPolarHBondContact O-CB 3.09Å; F366-A370 PolarHBondContact O-N 3.47Å; A370-V373 PolarHBondContact O-N 2.7Å; A370-F374 VanDerWaalsContact O-CB 3.28Å; A370-F374 WeakPolarHBondContact O-CB 3.39Å; A370-F374 PolarHBondContact O-N 3.15Å |
| 371 | W | 78.5 | Confident | 68 | Low | 150 Ų | 150 | 108.1 Ų | 108.1 | 57% | 0.568 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -66.9 | -37.7 | 174.8 | -178.3 | -119.5 | 0 | 0 | 0 | 112.5 | M367 S368 T369 F374 K375 | M367-W371 WeakPolarHBondContact O-CB 3.29Å; M367-W371 PolarHBondContact O-N 2.78Å; S368-W371 PolarHBondContact O-N 2.94Å; T369-W371 PolarHBondContact O-N 2.96Å; W371-F374 HydrophobicContact CE3-CD1 4.2Å; W371-F374 HydrophobicContact CZ3-CD1 4.08Å; W371-F374 HydrophobicContact CZ3-CE1 4.24Å; W371-K375 WeakPolarHBondContact O-CB 3.41Å; W371-K375 PolarHBondContact O-N 3.02Å |
| 372 | L | 86.2 | Confident | 69 | Low | 113 Ų | 113 | 105.2 Ų | 105.2 | 59% | 0.592 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66 | -46.3 | 173.7 | -172.7 | 65.2 | 0 | 0 | 0 | 111.2 | S368 T369 F374 K375 T376 | S368-L372 WeakPolarHBondContact O-CB 3.15Å; S368-L372 PolarHBondContact O-N 3.38Å; T369-L372 PolarHBondContact O-N 3.44Å; L372-F374 VanDerWaalsContact C-N 3.35Å; L372-F374 PolarHBondContact O-N 3.28Å; L372-K375 PolarHBondContact O-N 3.3Å; L372-T376 PolarHBondContact O-N 2.96Å; L372-T376 PolarHBondContact O-OG1 3.45Å |
| 373 | V | 84.9 | Confident | 69.6 | Low | 90 Ų | 90 | 105.2 Ų | 105.2 | 55% | 0.545 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.1 | -40.4 | 175.2 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | T369 A370 T376 F377 | T369-V373 WeakPolarHBondContact O-CG2 3.44Å; T369-V373 PolarHBondContact O-N 2.88Å; A370-V373 PolarHBondContact O-N 2.7Å; V373-T376 PolarHBondContact O-N 3.09Å; V373-T376 PolarHBondContact O-OG1 3.49Å; V373-F377 WeakPolarHBondContact O-CB 3.27Å; V373-F377 PolarHBondContact O-N 3.04Å |
| 374 | F | 80.2 | Confident | 69.8 | Low | 109 Ų | 109 | 109.5 Ų | 109.5 | 48% | 0.478 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.3 | -46.8 | 173.2 | -179.9 | -88.7 | 0 | 0 | 0 | 111 | A370 W371 L372 F377 F378 | A370-F374 VanDerWaalsContact O-CB 3.28Å; A370-F374 WeakPolarHBondContact O-CB 3.39Å; A370-F374 PolarHBondContact O-N 3.15Å; W371-F374 HydrophobicContact CE3-CD1 4.2Å; W371-F374 HydrophobicContact CZ3-CD1 4.08Å; W371-F374 HydrophobicContact CZ3-CE1 4.24Å; L372-F374 VanDerWaalsContact C-N 3.35Å; L372-F374 PolarHBondContact O-N 3.28Å; F374-F377 PolarHBondContact O-N 2.82Å; F374-F378 HydrophobicContact CD1-CD2 4.19Å; F374-F378 HydrophobicContact CD2-CD2 4.23Å; F374-F378 AromaticContact CD2-CE2 3.98Å; F374-F378 HydrophobicContact CD2-CE2 3.98Å; F374-F378 AromaticContact CE1-CD2 3.93Å; F374-F378 HydrophobicContact CE1-CD2 3.93Å; F374-F378 HydrophobicContact CE1-CE2 4.17Å; F374-F378 AromaticContact CE2-CD2 3.99Å; F374-F378 HydrophobicContact CE2-CD2 3.99Å; F374-F378 AromaticContact CE2-CE2 3.47Å; F374-F378 HydrophobicContact CE2-CE2 3.47Å; F374-F378 VanDerWaalsContact CE2-CE2 3.47Å; F374-F378 HydrophobicContact CE2-CZ 4.49Å; F374-F378 HydrophobicContact CG-CD2 4.33Å; F374-F378 AromaticContact CZ-CD2 3.83Å; F374-F378 HydrophobicContact CZ-CD2 3.83Å; F374-F378 AromaticContact CZ-CE2 3.57Å; F374-F378 HydrophobicContact CZ-CE2 3.57Å; F374-F378 HydrophobicContact CZ-CZ 4.49Å; F374-F378 WeakPolarHBondContact O-CD2 3.45Å; F374-F378 PolarHBondContact O-N 3.18Å; F374-F378 VanDerWaalsContact O-N 3.07Å |
| 375 | K | 77.8 | Confident | 69.8 | Low | 120 Ų | 120 | 107.6 Ų | 107.6 | 52% | 0.522 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64 | -43.8 | 177.1 | -82.3 | -167.5 | 167.7 | -164.8 | 0 | 113.3 | W371 L372 F378 A379 | W371-K375 WeakPolarHBondContact O-CB 3.41Å; W371-K375 PolarHBondContact O-N 3.02Å; L372-K375 PolarHBondContact O-N 3.3Å; K375-F378 PolarHBondContact O-N 3.35Å; K375-A379 WeakPolarHBondContact O-CB 3.31Å; K375-A379 PolarHBondContact O-N 3.18Å |
| 376 | T | 77.9 | Confident | 68.9 | Low | 82 Ų | 82 | 110.1 Ų | 110.1 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71.1 | -32.4 | 178.3 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | L372 V373 A379 S380 | L372-T376 PolarHBondContact O-N 2.96Å; L372-T376 PolarHBondContact O-OG1 3.45Å; V373-T376 PolarHBondContact O-N 3.09Å; V373-T376 PolarHBondContact O-OG1 3.49Å; T376-A379 PolarHBondContact O-N 3.46Å; T376-S380 VanDerWaalsContact O-CB 3.31Å; T376-S380 WeakPolarHBondContact O-CB 3.23Å; T376-S380 PolarHBondContact O-N 3.47Å |
| 377 | F | 76.4 | Confident | 68.1 | Low | 123 Ų | 123 | 106.8 Ų | 106.8 | 54% | 0.539 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.7 | -49.3 | 171.2 | 179.7 | -96.8 | 0 | 0 | 0 | 111.6 | V373 F374 S380 L381 | V373-F377 WeakPolarHBondContact O-CB 3.27Å; V373-F377 PolarHBondContact O-N 3.04Å; F374-F377 PolarHBondContact O-N 2.82Å; F377-S380 PolarHBondContact O-N 3.06Å; F377-L381 HydrophobicContact CD1-CD1 4.13Å; F377-L381 HydrophobicContact CE1-CD1 3.69Å; F377-L381 HydrophobicContact CE1-CG 4.49Å; F377-L381 HydrophobicContact CZ-CD1 4.24Å; F377-L381 PolarHBondContact O-N 3.21Å |
| 378 | F | 72.9 | Confident | 67 | Low | 104 Ų | 104 | 104.9 Ų | 104.9 | 46% | 0.456 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -72.1 | -29.4 | 177.6 | -81.8 | -79 | 0 | 0 | 0 | 113.8 | F374 K375 L381 | F374-F378 HydrophobicContact CD1-CD2 4.19Å; F374-F378 HydrophobicContact CD2-CD2 4.23Å; F374-F378 AromaticContact CD2-CE2 3.98Å; F374-F378 HydrophobicContact CD2-CE2 3.98Å; F374-F378 AromaticContact CE1-CD2 3.93Å; F374-F378 HydrophobicContact CE1-CD2 3.93Å; F374-F378 HydrophobicContact CE1-CE2 4.17Å; F374-F378 AromaticContact CE2-CD2 3.99Å; F374-F378 HydrophobicContact CE2-CD2 3.99Å; F374-F378 AromaticContact CE2-CE2 3.47Å; F374-F378 HydrophobicContact CE2-CE2 3.47Å; F374-F378 VanDerWaalsContact CE2-CE2 3.47Å; F374-F378 HydrophobicContact CE2-CZ 4.49Å; F374-F378 HydrophobicContact CG-CD2 4.33Å; F374-F378 AromaticContact CZ-CD2 3.83Å; F374-F378 HydrophobicContact CZ-CD2 3.83Å; F374-F378 AromaticContact CZ-CE2 3.57Å; F374-F378 HydrophobicContact CZ-CE2 3.57Å; F374-F378 HydrophobicContact CZ-CZ 4.49Å; F374-F378 WeakPolarHBondContact O-CD2 3.45Å; F374-F378 PolarHBondContact O-N 3.18Å; F374-F378 VanDerWaalsContact O-N 3.07Å; K375-F378 PolarHBondContact O-N 3.35Å; F378-L381 HydrophobicContact CD1-CD1 3.86Å; F378-L381 HydrophobicContact CE1-CD1 3.97Å; F378-L381 PolarHBondContact O-N 3.3Å |
| 379 | A | 66.1 | Low | 65.9 | Low | 62 Ų | 62 | 108.9 Ų | 108.9 | 51% | 0.512 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.1 | -40.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K375 T376 L381 L382 | K375-A379 WeakPolarHBondContact O-CB 3.31Å; K375-A379 PolarHBondContact O-N 3.18Å; T376-A379 PolarHBondContact O-N 3.46Å; A379-L381 PolarHBondContact O-N 3.24Å; A379-L382 WeakPolarHBondContact O-CB 3.38Å; A379-L382 PolarHBondContact O-N 3.32Å; A379-L382 VanDerWaalsContact O-N 3.08Å |
| 380 | S | 65.3 | Low | 64.3 | Low | 102 Ų | 102 | 110.1 Ų | 110.1 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -12.1 | 175.7 | -172.9 | 0 | 0 | 0 | 0 | 114.4 | T376 F377 | T376-S380 VanDerWaalsContact O-CB 3.31Å; T376-S380 WeakPolarHBondContact O-CB 3.23Å; T376-S380 PolarHBondContact O-N 3.47Å; F377-S380 PolarHBondContact O-N 3.06Å |
| 381 | L | 62.6 | Low | 62.6 | Low | 104 Ų | 104 | 118.2 Ų | 118.2 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.2 | -6.8 | 171.3 | -69.4 | 174 | 0 | 0 | 0 | 112.9 | F377 F378 A379 | F377-L381 HydrophobicContact CD1-CD1 4.13Å; F377-L381 HydrophobicContact CE1-CD1 3.69Å; F377-L381 HydrophobicContact CE1-CG 4.49Å; F377-L381 HydrophobicContact CZ-CD1 4.24Å; F377-L381 PolarHBondContact O-N 3.21Å; F378-L381 HydrophobicContact CD1-CD1 3.86Å; F378-L381 HydrophobicContact CE1-CD1 3.97Å; F378-L381 PolarHBondContact O-N 3.3Å; A379-L381 PolarHBondContact O-N 3.24Å |
| 382 | L | 60.4 | Low | 61.8 | Low | 130 Ų | 130 | 116.7 Ų | 116.7 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -92.6 | 112.9 | 167.3 | -62.9 | 171.4 | 0 | 0 | 0 | 107.9 | A379 E384 | A379-L382 WeakPolarHBondContact O-CB 3.38Å; A379-L382 PolarHBondContact O-N 3.32Å; A379-L382 VanDerWaalsContact O-N 3.08Å; L382-E384 PolarHBondContact O-N 2.8Å |
| 383 | P | 49 | Very low | 60.5 | Low | 122 Ų | 122 | 116.8 Ų | 116.8 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 132 | 176.6 | 27.3 | -33.3 | 0 | 0 | 0 | 109.9 | G385 | P383-G385 PolarHBondContact O-N 3.44Š|
| 384 | E | 53.9 | Low | 59.1 | Low | 194 Ų | 194 | 118.3 Ų | 118.3 | 91% | 0.907 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 119.6 | 175.5 | -66.2 | -172.3 | 151.3 | 0 | 0 | 109.9 | L382 | L382-E384 PolarHBondContact O-N 2.8Š|
| 385 | G | 54.2 | Low | 57.9 | Low | 62 Ų | 62 | 118.9 Ų | 118.9 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 141.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | P383 | P383-G385 PolarHBondContact O-N 3.44Š|
| 386 | P | 46.5 | Very low | 56.7 | Low | 122 Ų | 122 | 118.8 Ų | 118.8 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 143.8 | -176.6 | 25.4 | -34.5 | 0 | 0 | 0 | 111.2 | A388 | P386-A388 PolarHBondContact O-N 2.95Š|
| 387 | P | 51.8 | Low | 55.2 | Low | 118 Ų | 118 | 121.3 Ų | 121.3 | 77% | 0.766 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 128.5 | -176.4 | 25.2 | -34.3 | 0 | 0 | 0 | 110.9 | I389 | P387-I389 PolarHBondContact O-N 3.08Å; P387-I389 VanDerWaalsContact O-N 3.14Å |
| 388 | A | 40.9 | Very low | 53.7 | Low | 104 Ų | 104 | 121.1 Ų | 121.1 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | trans | -65 | 113 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P386 A390 | P386-A388 PolarHBondContact O-N 2.95Å; A388-A390 PolarHBondContact O-N 3.04Å | ||
| 389 | I | 46.7 | Very low | 52.3 | Low | 153 Ų | 153 | 122.5 Ų | 122.5 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -73 | 118.5 | 179.5 | -48.3 | 173.3 | 0 | 0 | 0 | 108.2 | P387 | P387-I389 PolarHBondContact O-N 3.08Å; P387-I389 VanDerWaalsContact O-N 3.14Å | ||
| 390 | A | 42.8 | Very low | 51.1 | Low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -69.5 | 138.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | A388 | A388-A390 PolarHBondContact O-N 3.04Š| ||
| 391 | N | 39.3 | Very low | 49.8 | Very low | 226 Ų | 226 | 129.8 Ų | 129.8 | 100% | 1.209 | 80% | 0.795 | S | S | * | * | trans | -141.8 | 0 | 159.3 | -71.9 | -92.1 | 0 | 0 | 0 | 107.5 |
Retrieved 391 of 391 residues in 53.7 ms
(Link to these results)