| 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 | 34.6 | Very low | 49.7 | Very low | 108 Ų | 108 | 81.5 Ų | 81.5 | 53% | 0.532 | 41% | 0.41 | S | S | . | . | 0 | -75.4 | 0 | -73.5 | -50.2 | -175.3 | 0 | 0 | 113.9 | Y3 L4 Q44 | M1-Y3 PolarHBondContact O-N 3.14Å; M1-L4 WeakPolarHBondContact O-CB 3.49Å; M1-L4 PolarHBondContact O-N 2.76Å; M1-Q44 HydrophobicContact CE-CG 3.87Å | |||
| 2 | N | 45.1 | Very low | 50.3 | Low | 141 Ų | 141 | 76.8 Ų | 76.8 | 75% | 0.754 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -33 | -171.1 | -60.6 | 26.8 | 0 | 0 | 0 | 115 | P6 | N2-P6 WeakPolarHBondContact O-CD 3.38Å; N2-P6 WeakPolarHBondContact O-CG 3.45Å |
| 3 | Y | 52.7 | Low | 51 | Low | 148 Ų | 148 | 80 Ų | 80 | 58% | 0.58 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -18.5 | 174 | -58.2 | -82.2 | 0 | 0 | 0 | 113.9 | M1 L7 I12 | M1-Y3 PolarHBondContact O-N 3.14Å; Y3-L7 WeakPolarHBondContact O-CB 3.33Å; Y3-L7 PolarHBondContact O-N 3.25Å; Y3-L7 VanDerWaalsContact O-N 3.1Å; Y3-I12 HydrophobicContact CD1-CD1 3.81Å; Y3-I12 HydrophobicContact CG-CD1 4.38Å; Y3-I12 WeakPolarHBondContact O-CD1 3.17Å |
| 4 | L | 48.3 | Very low | 51.2 | Low | 29 Ų | 29 | 78.2 Ų | 78.2 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -73.5 | -45.2 | -173.8 | -154.8 | 86 | 0 | 0 | 0 | 111.8 | M1 L7 C8 | M1-L4 WeakPolarHBondContact O-CB 3.49Å; M1-L4 PolarHBondContact O-N 2.76Å; L4-L7 PolarHBondContact O-N 3.44Å; L4-C8 WeakPolarHBondContact O-CB 3.22Å; L4-C8 PolarHBondContact O-N 2.83Å; L4-C8 PolarHBondContact O-SG 3.48Å |
| 5 | L | 51.1 | Low | 52 | Low | 103 Ų | 103 | 81.9 Ų | 81.9 | 54% | 0.539 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 179.7 | -169.7 | 73.9 | 0 | 0 | 0 | 112.2 | L7 C8 Q9 | L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.48Å; L5-C8 PolarHBondContact O-N 3.34Å; L5-Q9 WeakPolarHBondContact O-CB 3.41Å; L5-Q9 WeakPolarHBondContact O-CG 3.5Å; L5-Q9 PolarHBondContact O-N 2.91Å |
| 6 | P | 57.1 | Low | 52.7 | Low | 37 Ų | 37 | 82.3 Ų | 82.3 | 24% | 0.24 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.6 | -29.5 | 176.2 | -17.5 | 32.6 | 0 | 0 | 0 | 112.8 | N2 Q9 G10 R11 I12 | N2-P6 WeakPolarHBondContact O-CD 3.38Å; N2-P6 WeakPolarHBondContact O-CG 3.45Å; P6-Q9 CarbonylContact O-C 3.57Å; P6-Q9 PolarHBondContact O-N 3.14Å; P6-G10 PolarHBondContact O-N 3.38Å; P6-R11 HydrophobicContact CB-CB 3.98Å; P6-R11 WeakPolarHBondContact O-CA 3.44Å; P6-R11 WeakPolarHBondContact O-CB 3.48Å; P6-R11 PolarHBondContact O-N 3.23Å; P6-I12 HydrophobicContact CB-CD1 3.78Å; P6-I12 HydrophobicContact CB-CG1 3.98Å; P6-I12 HydrophobicContact CG-CD1 4.3Å; P6-I12 PolarHBondContact O-N 2.84Å |
| 7 | L | 53.7 | Low | 53.3 | Low | 10 Ų | 10 | 78.5 Ų | 78.5 | 5% | 0.052 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.6 | -49.7 | 172.5 | 178.3 | 71.6 | 0 | 0 | 0 | 112 | Y3 L4 L5 Q9 G10 I12 L17 L85 L89 | Y3-L7 WeakPolarHBondContact O-CB 3.33Å; Y3-L7 PolarHBondContact O-N 3.25Å; Y3-L7 VanDerWaalsContact O-N 3.1Å; L4-L7 PolarHBondContact O-N 3.44Å; L5-L7 VanDerWaalsContact C-N 3.32Å; L5-L7 PolarHBondContact O-N 3.48Å; L7-Q9 PolarHBondContact O-N 3.24Å; L7-G10 PolarHBondContact O-N 2.59Å; L7-I12 HydrophobicContact CB-CB 4.37Å; L7-I12 HydrophobicContact CD1-CB 4.39Å; L7-I12 HydrophobicContact CD1-CG2 3.95Å; L7-L17 HydrophobicContact CD1-CD2 3.53Å; L7-L17 HydrophobicContact CD1-CG 4.12Å; L7-L17 HydrophobicContact CD2-CD2 3.71Å; L7-L17 HydrophobicContact CG-CD2 4.25Å; L7-L85 HydrophobicContact CD1-CD1 3.72Å; L7-L85 HydrophobicContact CG-CD1 4.12Å; L7-L89 HydrophobicContact CD2-CD1 4.24Å; L7-L89 HydrophobicContact CD2-CD2 4.03Å |
| 8 | C | 49.7 | Very low | 53.7 | Low | 15 Ų | 15 | 76.4 Ų | 76.4 | 10% | 0.101 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.5 | -13 | 176.2 | -61.7 | 0 | 0 | 0 | 0 | 113 | L4 L5 P70 L80 | L4-C8 WeakPolarHBondContact O-CB 3.22Å; L4-C8 PolarHBondContact O-N 2.83Å; L4-C8 PolarHBondContact O-SG 3.48Å; L5-C8 PolarHBondContact O-N 3.34Å; C8-P70 HydrophobicContact CB-CB 4.35Å; C8-L80 VanDerWaalsContact O-CD1 3.28Å; C8-L80 WeakPolarHBondContact O-CD1 3.38Å; C8-L80 VanDerWaalsContact O-CD2 3.27Å; C8-L80 WeakPolarHBondContact O-CD2 3.38Å |
| 9 | Q | 50.3 | Low | 54.4 | Low | 70 Ų | 70 | 79.2 Ų | 79.2 | 33% | 0.327 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 5.3 | 170.7 | -70.7 | 171 | -8 | 0 | 0 | 113.2 | L5 P6 L7 R11 | L5-Q9 WeakPolarHBondContact O-CB 3.41Å; L5-Q9 WeakPolarHBondContact O-CG 3.5Å; L5-Q9 PolarHBondContact O-N 2.91Å; P6-Q9 CarbonylContact O-C 3.57Å; P6-Q9 PolarHBondContact O-N 3.14Å; L7-Q9 PolarHBondContact O-N 3.24Å; Q9-R11 HydrophobicContact CB-CG 4.05Å; Q9-R11 PolarHBondContact O-N 3Å; Q9-R11 VanDerWaalsContact O-N 3.15Å |
| 10 | G | 47.1 | Very low | 55 | Low | 52 Ų | 52 | 77.5 Ų | 77.5 | 54% | 0.536 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 10.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | P6 L7 | P6-G10 PolarHBondContact O-N 3.38Å; L7-G10 PolarHBondContact O-N 2.59Å |
| 11 | R | 56.8 | Low | 55.8 | Low | 184 Ų | 184 | 75.5 Ų | 75.5 | 69% | 0.694 | 39% | 0.393 | S | S | * | . | trans | -84 | -21.2 | -178.2 | -66.1 | 171.5 | 168.5 | 178.5 | -12.6 | 113.4 | P6 Q9 | P6-R11 HydrophobicContact CB-CB 3.98Å; P6-R11 WeakPolarHBondContact O-CA 3.44Å; P6-R11 WeakPolarHBondContact O-CB 3.48Å; P6-R11 PolarHBondContact O-N 3.23Å; Q9-R11 HydrophobicContact CB-CG 4.05Å; Q9-R11 PolarHBondContact O-N 3Å; Q9-R11 VanDerWaalsContact O-N 3.15Å | ||
| 12 | I | 56.8 | Low | 57.4 | Low | 24 Ų | 24 | 74.1 Ų | 74.1 | 12% | 0.123 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -97.6 | 122.7 | 166.2 | -79.4 | 165.4 | 0 | 0 | 0 | 107 | Y3 P6 L7 E16 | Y3-I12 HydrophobicContact CD1-CD1 3.81Å; Y3-I12 HydrophobicContact CG-CD1 4.38Å; Y3-I12 WeakPolarHBondContact O-CD1 3.17Å; P6-I12 HydrophobicContact CB-CD1 3.78Å; P6-I12 HydrophobicContact CB-CG1 3.98Å; P6-I12 HydrophobicContact CG-CD1 4.3Å; P6-I12 PolarHBondContact O-N 2.84Å; L7-I12 HydrophobicContact CB-CB 4.37Å; L7-I12 HydrophobicContact CD1-CB 4.39Å; L7-I12 HydrophobicContact CD1-CG2 3.95Å; I12-E16 HydrophobicContact CG2-CB 3.96Å |
| 13 | K | 59.5 | Low | 58.9 | Low | 119 Ų | 119 | 76.5 Ų | 76.5 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | trans | -66 | 154.8 | 171.7 | -59.3 | -169.6 | -162.3 | 88.7 | 0 | 109.8 | D15 E16 L17 | K13-D15 PolarHBondContact O-N 2.78Å; K13-E16 HydrophobicContact CB-CB 4.38Å; K13-E16 HydrophobicContact CB-CG 4.07Å; K13-E16 WeakPolarHBondContact CG-OE1 3.26Å; K13-E16 PolarHBondContact N-OE2 3.13Å; K13-E16 IonicContact NZ-OE1 3.23Å; K13-E16 PolarHBondContact NZ-OE1 3.23Å; K13-E16 WeakPolarHBondContact O-CA 3.3Å; K13-E16 WeakPolarHBondContact O-CB 3.22Å; K13-E16 PolarHBondContact O-N 3.15Å; K13-L17 PolarHBondContact O-N 3.14Å | ||
| 14 | P | 53.9 | Low | 60.1 | Low | 55 Ų | 55 | 70 Ų | 70 | 36% | 0.357 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -58.6 | -22.8 | 173.2 | -23.9 | 34.4 | 0 | 0 | 0 | 113.9 | E16 L17 K88 | P14-E16 VanDerWaalsContact C-N 3.3Å; P14-L17 HydrophobicContact CB-CD1 4.42Å; P14-L17 WeakPolarHBondContact O-CB 3.41Å; P14-L17 WeakPolarHBondContact O-CD1 3.46Å; P14-K88 HydrophobicContact CB-CD 3.48Å; P14-K88 VanDerWaalsContact CB-CD 3.48Å; P14-K88 HydrophobicContact CG-CD 4.05Å |
| 15 | D | 62.9 | Low | 61.8 | Low | 134 Ų | 134 | 68.6 Ų | 68.6 | 72% | 0.717 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -86.3 | -7.1 | 179.1 | -33.8 | -49.7 | 0 | 0 | 0 | 111.9 | K13 K88 | K13-D15 PolarHBondContact O-N 2.78Å; D15-K88 IonicContact OD1-NZ 2.73Å |
| 16 | E | 63.9 | Low | 63.4 | Low | 88 Ų | 88 | 64.1 Ų | 64.1 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -103.2 | 6 | 173.3 | -64.8 | 158.8 | -171.5 | 0 | 0 | 111.3 | I12 K13 P14 | I12-E16 HydrophobicContact CG2-CB 3.96Å; K13-E16 HydrophobicContact CB-CB 4.38Å; K13-E16 HydrophobicContact CB-CG 4.07Å; K13-E16 WeakPolarHBondContact CG-OE1 3.26Å; K13-E16 PolarHBondContact N-OE2 3.13Å; K13-E16 IonicContact NZ-OE1 3.23Å; K13-E16 PolarHBondContact NZ-OE1 3.23Å; K13-E16 WeakPolarHBondContact O-CA 3.3Å; K13-E16 WeakPolarHBondContact O-CB 3.22Å; K13-E16 PolarHBondContact O-N 3.15Å; P14-E16 VanDerWaalsContact C-N 3.3Å |
| 17 | L | 62.2 | Low | 64.8 | Low | 18 Ų | 18 | 62.4 Ų | 62.4 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -60.8 | 138.2 | 172.4 | -85.1 | 167.3 | 0 | 0 | 0 | 110.5 | L7 K13 P14 V19 L89 | L7-L17 HydrophobicContact CD1-CD2 3.53Å; L7-L17 HydrophobicContact CD1-CG 4.12Å; L7-L17 HydrophobicContact CD2-CD2 3.71Å; L7-L17 HydrophobicContact CG-CD2 4.25Å; K13-L17 PolarHBondContact O-N 3.14Å; P14-L17 HydrophobicContact CB-CD1 4.42Å; P14-L17 WeakPolarHBondContact O-CB 3.41Å; P14-L17 WeakPolarHBondContact O-CD1 3.46Å; L17-V19 PolarHBondContact O-N 2.66Å; L17-L89 HydrophobicContact CD1-CD2 4.08Å; L17-L89 HydrophobicContact CD2-CD2 3.9Å |
| 18 | P | 61.3 | Low | 66.3 | Low | 40 Ų | 40 | 61.9 Ų | 61.9 | 26% | 0.26 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 126.6 | -177.2 | 25.1 | -32.8 | 0 | 0 | 0 | 110.8 | I20 Q92 Y93 | P18-I20 PolarHBondContact O-N 3.33Å; P18-Q92 PolarHBondContact O-NE2 3Å; P18-Y93 PolarHBondContact O-OH 3.06Å; P18-Y93 VanDerWaalsContact O-OH 3.1Å |
| 19 | V | 67 | Low | 67.9 | Low | 130 Ų | 130 | 61.2 Ų | 61.2 | 79% | 0.788 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 138 | 171.3 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | L17 S21 Y26 | L17-V19 PolarHBondContact O-N 2.66Å; V19-S21 PolarHBondContact O-N 2.84Å; V19-Y26 PolarHBondContact O-OH 2.9Å |
| 20 | I | 66.6 | Low | 69.3 | Low | 44 Ų | 44 | 58.1 Ų | 58.1 | 23% | 0.226 | 30% | 0.303 | C | S | . | . | trans | -60.6 | 104.5 | -178 | -58.9 | 175.4 | 0 | 0 | 0 | 108.8 | P18 Y26 Q92 Y93 N99 | P18-I20 PolarHBondContact O-N 3.33Å; I20-Y26 HydrophobicContact CB-CE2 4.29Å; I20-Y26 HydrophobicContact CG2-CD2 4.03Å; I20-Y26 HydrophobicContact CG2-CE2 3.7Å; I20-Q92 HydrophobicContact CD1-CG 4.16Å; I20-Q92 WeakPolarHBondContact CD1-O 3.48Å; I20-Q92 HydrophobicContact CG1-CG 4.35Å; I20-Y93 HydrophobicContact CG1-CE1 4.17Å; I20-N99 HydrophobicContact CG2-CB 3.58Å | ||
| 21 | S | 70.9 | Confident | 70.9 | Confident | 36 Ų | 36 | 55.8 Ų | 55.8 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | trans | -75.9 | 128.2 | -177.7 | 157.7 | 0 | 0 | 0 | 0 | 110.1 | V19 R23 T24 Y26 | V19-S21 PolarHBondContact O-N 2.84Å; S21-R23 PolarHBondContact O-N 3.34Å; S21-R23 VanDerWaalsContact O-N 3.14Å; S21-R23 PolarHBondContact OG-N 3.32Å; S21-T24 VanDerWaalsContact CB-OG1 3.29Å; S21-T24 WeakPolarHBondContact CB-OG1 3.36Å; S21-T24 PolarHBondContact O-N 3.4Å; S21-T24 PolarHBondContact OG-N 3.13Å; S21-T24 PolarHBondContact OG-OG1 3.32Å; S21-Y26 PolarHBondContact N-OH 2.82Å | ||
| 22 | P | 69.3 | Low | 71.7 | Confident | 80 Ų | 80 | 47.1 Ų | 47.1 | 52% | 0.519 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -16.8 | 175.2 | 27.1 | -34.5 | 0 | 0 | 0 | 112.6 | T24 K387 | P22-T24 VanDerWaalsContact C-N 3.32Å; P22-K387 PolarHBondContact O-NZ 3.49Å |
| 23 | R | 75.7 | Confident | 72.4 | Confident | 190 Ų | 190 | 46.3 Ų | 46.3 | 72% | 0.717 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 7 | 173.1 | -64.5 | -174.4 | 176.4 | -173.6 | -2 | 113.7 | S21 D62 | S21-R23 PolarHBondContact O-N 3.34Å; S21-R23 VanDerWaalsContact O-N 3.14Å; S21-R23 PolarHBondContact OG-N 3.32Å; R23-D62 PolarHBondContact O-N 2.92Å |
| 24 | T | 78.8 | Confident | 72.9 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 7% | 0.074 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.9 | -177 | -54 | 0 | 0 | 0 | 0 | 110.4 | S21 P22 Y26 D62 C64 K387 | S21-T24 VanDerWaalsContact CB-OG1 3.29Å; S21-T24 WeakPolarHBondContact CB-OG1 3.36Å; S21-T24 PolarHBondContact O-N 3.4Å; S21-T24 PolarHBondContact OG-N 3.13Å; S21-T24 PolarHBondContact OG-OG1 3.32Å; P22-T24 VanDerWaalsContact C-N 3.32Å; T24-Y26 HydrophobicContact CG2-CD1 4.4Å; T24-Y26 HydrophobicContact CG2-CD2 4.09Å; T24-Y26 HydrophobicContact CG2-CE1 4.02Å; T24-Y26 HydrophobicContact CG2-CE2 3.64Å; T24-Y26 HydrophobicContact CG2-CG 4.45Å; T24-D62 CarbonylContact C-O 3.53Å; T24-D62 VanDerWaalsContact CA-O 3.24Å; T24-D62 WeakPolarHBondContact CA-O 3.32Å; T24-D62 HydrophobicContact CG2-CB 4.39Å; T24-C64 HydrophobicContact CG2-CB 4.07Å; T24-K387 PolarHBondContact O-NZ 3.28Å |
| 25 | I | 83.3 | Confident | 73.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.9 | 167.7 | -62.6 | 173.5 | 0 | 0 | 0 | 107.6 | F27 L61 D62 V63 C64 N99 I380 R383 | I25-F27 HydrophobicContact CG2-CD2 4.5Å; I25-F27 HydrophobicContact CG2-CE2 4.13Å; I25-F27 HydrophobicContact CG2-CZ 4.46Å; I25-L61 HydrophobicContact CD1-CD1 4.02Å; I25-D62 PolarHBondContact N-O 2.73Å; I25-V63 CarbonylContact O-C 3.52Å; I25-V63 WeakPolarHBondContact O-CA 3.39Å; I25-C64 PolarHBondContact O-N 3.15Å; I25-N99 CarbonylContact C-O 3.54Å; I25-N99 WeakPolarHBondContact CA-O 3.26Å; I25-I380 HydrophobicContact CD1-CB 4.43Å; I25-I380 HydrophobicContact CD1-CG1 4.17Å; I25-I380 HydrophobicContact CD1-CG2 4.25Å; I25-R383 HydrophobicContact CD1-CB 3.99Å |
| 26 | Y | 84.5 | Confident | 74.6 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127 | -177.6 | -62 | -95.5 | 0 | 0 | 0 | 109.5 | V19 I20 S21 T24 C64 I66 Y93 N99 C100 S101 | V19-Y26 PolarHBondContact O-OH 2.9Å; I20-Y26 HydrophobicContact CB-CE2 4.29Å; I20-Y26 HydrophobicContact CG2-CD2 4.03Å; I20-Y26 HydrophobicContact CG2-CE2 3.7Å; S21-Y26 PolarHBondContact N-OH 2.82Å; T24-Y26 HydrophobicContact CG2-CD1 4.4Å; T24-Y26 HydrophobicContact CG2-CD2 4.09Å; T24-Y26 HydrophobicContact CG2-CE1 4.02Å; T24-Y26 HydrophobicContact CG2-CE2 3.64Å; T24-Y26 HydrophobicContact CG2-CG 4.45Å; Y26-C64 VanDerWaalsContact CA-O 3.31Å; Y26-C64 WeakPolarHBondContact CA-O 3.27Å; Y26-C64 HydrophobicContact CD1-CB 3.63Å; Y26-C64 HydrophobicContact CE1-CB 3.92Å; Y26-C64 HydrophobicContact CG-CB 4.41Å; Y26-I66 HydrophobicContact CD1-CD1 3.88Å; Y26-Y93 AromaticContact CD1-CD1 3.81Å; Y26-Y93 HydrophobicContact CD1-CD1 3.81Å; Y26-Y93 AromaticContact CD1-CE1 3.57Å; Y26-Y93 HydrophobicContact CD1-CE1 3.57Å; Y26-Y93 HydrophobicContact CE1-CD1 4.42Å; Y26-Y93 AromaticContact CE1-CE1 3.73Å; Y26-Y93 HydrophobicContact CE1-CE1 3.73Å; Y26-Y93 AromaticContact CG-CD1 3.97Å; Y26-Y93 HydrophobicContact CG-CD1 3.97Å; Y26-Y93 HydrophobicContact CG-CE1 4.1Å; Y26-N99 PolarHBondContact N-O 3.21Å; Y26-C100 CarbonylContact O-C 3.35Å; Y26-C100 WeakPolarHBondContact O-CA 3.14Å; Y26-S101 PolarHBondContact O-N 2.79Å |
| 27 | F | 86.3 | Confident | 75.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.6 | 175.3 | -81.4 | -73.6 | 0 | 0 | 0 | 109.8 | I25 I51 V63 C64 F65 I66 S101 I103 I264 A376 A379 I380 | I25-F27 HydrophobicContact CG2-CD2 4.5Å; I25-F27 HydrophobicContact CG2-CE2 4.13Å; I25-F27 HydrophobicContact CG2-CZ 4.46Å; F27-I51 HydrophobicContact CE2-CG2 4.43Å; F27-V63 HydrophobicContact CD2-CG1 3.6Å; F27-V63 HydrophobicContact CE2-CG1 3.85Å; F27-C64 PolarHBondContact N-O 3.07Å; F27-F65 HydrophobicContact CB-CD1 3.44Å; F27-F65 VanDerWaalsContact CB-CD1 3.44Å; F27-F65 HydrophobicContact CB-CE1 3.56Å; F27-F65 HydrophobicContact CB-CG 4.19Å; F27-F65 HydrophobicContact CB-CZ 4.39Å; F27-F65 HydrophobicContact CD1-CE1 4.47Å; F27-F65 HydrophobicContact CD2-CD1 4.25Å; F27-F65 AromaticContact CD2-CE1 3.65Å; F27-F65 HydrophobicContact CD2-CE1 3.65Å; F27-F65 HydrophobicContact CD2-CE2 4.27Å; F27-F65 AromaticContact CD2-CZ 3.66Å; F27-F65 HydrophobicContact CD2-CZ 3.66Å; F27-F65 HydrophobicContact CE2-CE1 4.47Å; F27-F65 HydrophobicContact CE2-CZ 4.19Å; F27-F65 HydrophobicContact CG-CD1 4.08Å; F27-F65 AromaticContact CG-CE1 3.66Å; F27-F65 HydrophobicContact CG-CE1 3.66Å; F27-F65 HydrophobicContact CG-CZ 4.16Å; F27-I66 PolarHBondContact O-N 3.33Å; F27-S101 CarbonylContact C-O 3.58Å; F27-S101 VanDerWaalsContact CA-O 3.29Å; F27-S101 WeakPolarHBondContact CA-O 3.23Å; F27-S101 WeakPolarHBondContact CE1-OG 3.48Å; F27-I103 HydrophobicContact CB-CD1 3.8Å; F27-I103 HydrophobicContact CD1-CD1 3.71Å; F27-I103 HydrophobicContact CD1-CG1 3.98Å; F27-I103 HydrophobicContact CG-CD1 4.04Å; F27-I264 HydrophobicContact CD1-CD1 4.33Å; F27-I264 HydrophobicContact CE1-CD1 3.69Å; F27-A376 HydrophobicContact CZ-CB 4.25Å; F27-A379 HydrophobicContact CE1-CB 4.06Å; F27-A379 HydrophobicContact CZ-CB 4.16Å; F27-I380 HydrophobicContact CE2-CD1 3.92Å; F27-I380 HydrophobicContact CE2-CG1 3.86Å; F27-I380 HydrophobicContact CZ-CD1 4.28Å; F27-I380 HydrophobicContact CZ-CG1 3.96Å |
| 28 | F | 85.4 | Confident | 75.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.4 | -178.1 | -177.1 | -95.3 | 0 | 0 | 0 | 111.7 | C30 I66 P68 L89 S90 Y93 C94 S101 P102 I103 A231 | F28-C30 VanDerWaalsContact CD1-SG 3.55Å; F28-I66 HydrophobicContact CD2-CB 4.23Å; F28-I66 HydrophobicContact CD2-CG2 3.81Å; F28-I66 HydrophobicContact CE2-CG2 4.18Å; F28-P68 HydrophobicContact CE2-CB 4.11Å; F28-P68 HydrophobicContact CE2-CG 4.13Å; F28-P68 HydrophobicContact CZ-CB 4.39Å; F28-P68 HydrophobicContact CZ-CG 4.11Å; F28-L89 HydrophobicContact CE2-CB 4Å; F28-S90 WeakPolarHBondContact CZ-OG 3.41Å; F28-Y93 WeakPolarHBondContact CB-O 3.42Å; F28-C94 HydrophobicContact CD1-CB 3.44Å; F28-C94 VanDerWaalsContact CD1-CB 3.44Å; F28-C94 VanDerWaalsContact CD1-SG 3.53Å; F28-C94 HydrophobicContact CE1-CB 3.63Å; F28-C94 HydrophobicContact CG-CB 4.11Å; F28-C94 HydrophobicContact CZ-CB 4.43Å; F28-S101 PolarHBondContact N-O 2.91Å; F28-P102 WeakPolarHBondContact O-CA 3.38Å; F28-I103 PolarHBondContact O-N 3.38Å; F28-A231 HydrophobicContact CE1-CB 4.29Å |
| 29 | I | 84.2 | Confident | 77 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 110.9 | -169.6 | -63.4 | 175.1 | 0 | 0 | 0 | 112 | R40 Y48 I66 I103 | I29-R40 HydrophobicContact CG2-CG 4.47Å; I29-Y48 HydrophobicContact CD1-CE1 4.13Å; I29-Y48 WeakPolarHBondContact CD1-OH 3.41Å; I29-I66 PolarHBondContact N-O 3.04Å; I29-I103 HydrophobicContact CG1-CB 4.21Å; I29-I103 HydrophobicContact CG1-CD1 3.92Å; I29-I103 HydrophobicContact CG1-CG2 4.39Å |
| 30 | C | 80.2 | Confident | 77.8 | Confident | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 98 | 176.9 | -50.3 | 0 | 0 | 0 | 0 | 109.4 | F28 I103 I104 L105 A231 | F28-C30 VanDerWaalsContact CD1-SG 3.55Å; C30-I103 WeakPolarHBondContact CA-O 3.34Å; C30-I103 VanDerWaalsContact CB-O 3.31Å; C30-I103 WeakPolarHBondContact CB-O 2.89Å; C30-I103 PolarHBondContact N-O 2.69Å; C30-I104 HydrophobicContact CB-CG1 4.49Å; C30-I104 WeakPolarHBondContact O-CA 3.2Å; C30-L105 PolarHBondContact O-N 2.98Å; C30-A231 HydrophobicContact CB-CB 4.17Å |
| 31 | S | 78.8 | Confident | 78.4 | Confident | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 153.8 | 174.9 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | Y33 R40 | S31-Y33 PolarHBondContact O-N 3.14Å; S31-R40 PolarHBondContact O-NH1 2.91Å; S31-R40 PolarHBondContact OG-NH1 3.48Å |
| 32 | A | 75 | Confident | 78.9 | Confident | 2 Ų | 2 | 28 Ų | 28 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | trans | -64.5 | 104.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | T34 D35 F36 K109 | A32-T34 PolarHBondContact O-N 2.82Å; A32-D35 HydrophobicContact CB-CB 4.35Å; A32-D35 PolarHBondContact O-N 2.81Å; A32-F36 PolarHBondContact O-N 3.44Å; A32-F36 VanDerWaalsContact O-N 3.15Å; A32-K109 HydrophobicContact CB-CB 3.74Å | ||
| 33 | Y | 71.9 | Confident | 79.6 | Confident | 6 Ų | 6 | 24.2 Ų | 24.2 | 2% | 0.024 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -35.3 | -175.6 | 173.5 | -95 | 0 | 0 | 0 | 112.7 | S31 D35 F36 S37 R69 L71 | S31-Y33 PolarHBondContact O-N 3.14Å; Y33-D35 PolarHBondContact O-N 3.02Å; Y33-F36 CarbonylContact O-C 3.59Å; Y33-F36 PolarHBondContact O-N 2.84Å; Y33-S37 VanDerWaalsContact O-CA 3.3Å; Y33-S37 WeakPolarHBondContact O-CA 3.4Å; Y33-S37 VanDerWaalsContact O-CB 3.23Å; Y33-S37 WeakPolarHBondContact O-CB 3.41Å; Y33-S37 PolarHBondContact O-N 3.39Å; Y33-R69 VanDerWaalsContact CD1-CZ 3.42Å; Y33-R69 VanDerWaalsContact CD1-NE 3.34Å; Y33-R69 HydrophobicContact CD2-CB 4.45Å; Y33-R69 HydrophobicContact CD2-CG 4.34Å; Y33-R69 HydrophobicContact CG-CG 4.42Å; Y33-L71 HydrophobicContact CE2-CD2 4.39Å; Y33-L71 PolarHBondContact OH-O 2.79Å |
| 34 | T | 69 | Low | 79.7 | Confident | 52 Ų | 52 | 17.9 Ų | 17.9 | 32% | 0.319 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -3.7 | 178.8 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | A32 K109 | A32-T34 PolarHBondContact O-N 2.82Å; T34-K109 PolarHBondContact O-NZ 3.29Å; T34-K109 WeakPolarHBondContact OG1-CD 3.41Å; T34-K109 WeakPolarHBondContact OG1-CE 3.4Å |
| 35 | D | 71.9 | Confident | 79.7 | Confident | 9 Ų | 9 | 21.9 Ų | 21.9 | 5% | 0.048 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -47 | 161.3 | -91.9 | -15 | 0 | 0 | 0 | 111.8 | A32 Y33 Q108 K109 R268 | A32-D35 HydrophobicContact CB-CB 4.35Å; A32-D35 PolarHBondContact O-N 2.81Å; Y33-D35 PolarHBondContact O-N 3.02Å; D35-Q108 PolarHBondContact OD2-N 3.18Å; D35-K109 WeakPolarHBondContact OD1-CG 3.18Å; D35-K109 IonicContact OD1-NZ 3.77Å; D35-K109 PolarHBondContact OD1-NZ 3.48Å; D35-K109 WeakPolarHBondContact OD2-CB 3.36Å; D35-K109 WeakPolarHBondContact OD2-CG 3.41Å; D35-K109 PolarHBondContact OD2-N 2.86Å; D35-R268 VanDerWaalsContact CG-NH2 3.34Å; D35-R268 PolarHBondContact O-NH1 3.38Å; D35-R268 IonicContact OD1-NH2 2.74Å; D35-R268 PolarHBondContact OD1-NH2 3.48Å; D35-R268 IonicContact OD2-NH2 3.56Å |
| 36 | F | 79.5 | Confident | 79.3 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -103.6 | 26.2 | -168.9 | -66.1 | -80.8 | 0 | 0 | 0 | 113.6 | A32 Y33 L38 E39 R40 L105 L106 R268 | A32-F36 PolarHBondContact O-N 3.44Å; A32-F36 VanDerWaalsContact O-N 3.15Å; Y33-F36 CarbonylContact O-C 3.59Å; Y33-F36 PolarHBondContact O-N 2.84Å; F36-L38 VanDerWaalsContact C-N 3.34Å; F36-L38 PolarHBondContact O-N 3.28Å; F36-E39 WeakPolarHBondContact CA-OE2 3.49Å; F36-E39 HydrophobicContact CB-CB 4.2Å; F36-E39 HydrophobicContact CD1-CB 4.01Å; F36-E39 HydrophobicContact CD1-CG 3.93Å; F36-E39 PolarHBondContact O-N 3.34Å; F36-R40 HydrophobicContact CB-CG 4.22Å; F36-R40 VanDerWaalsContact O-CB 3.26Å; F36-R40 WeakPolarHBondContact O-CB 3.42Å; F36-R40 WeakPolarHBondContact O-CD 3.24Å; F36-R40 WeakPolarHBondContact O-CG 3.36Å; F36-R40 PolarHBondContact O-N 3.5Å; F36-L105 HydrophobicContact CB-CD1 3.97Å; F36-L105 HydrophobicContact CD1-CB 3.94Å; F36-L105 HydrophobicContact CD1-CD1 3.91Å; F36-L105 HydrophobicContact CD2-CB 3.79Å; F36-L105 HydrophobicContact CD2-CD1 4.47Å; F36-L105 HydrophobicContact CE1-CB 3.85Å; F36-L105 HydrophobicContact CE2-CB 3.68Å; F36-L105 VanDerWaalsContact CE2-O 3.31Å; F36-L105 WeakPolarHBondContact CE2-O 3.47Å; F36-L105 HydrophobicContact CG-CB 3.91Å; F36-L105 HydrophobicContact CG-CD1 3.86Å; F36-L105 HydrophobicContact CZ-CB 3.72Å; F36-L106 WeakPolarHBondContact CZ-O 3.48Å; F36-R268 HydrophobicContact CE1-CB 3.98Å; F36-R268 HydrophobicContact CZ-CB 4Å |
| 37 | S | 76 | Confident | 79.2 | Confident | 45 Ų | 45 | 24 Ų | 24 | 32% | 0.315 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -66.7 | -37.1 | -175 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | Y33 R41 | Y33-S37 VanDerWaalsContact O-CA 3.3Å; Y33-S37 WeakPolarHBondContact O-CA 3.4Å; Y33-S37 VanDerWaalsContact O-CB 3.23Å; Y33-S37 WeakPolarHBondContact O-CB 3.41Å; Y33-S37 PolarHBondContact O-N 3.39Å; S37-R41 VanDerWaalsContact O-CB 3.24Å; S37-R41 WeakPolarHBondContact O-CB 3.48Å; S37-R41 PolarHBondContact O-N 3.17Å |
| 38 | L | 78.4 | Confident | 79.1 | Confident | 65 Ų | 65 | 24.7 Ų | 24.7 | 34% | 0.34 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -74.1 | -45.4 | 174.5 | -174.3 | 67 | 0 | 0 | 0 | 111 | F36 R41 I42 H361 L365 | F36-L38 VanDerWaalsContact C-N 3.34Å; F36-L38 PolarHBondContact O-N 3.28Å; L38-R41 PolarHBondContact O-N 2.79Å; L38-I42 HydrophobicContact CD1-CD1 4.09Å; L38-I42 HydrophobicContact CD2-CD1 4.43Å; L38-I42 HydrophobicContact CG-CD1 3.81Å; L38-I42 WeakPolarHBondContact O-CB 3.47Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 2.88Å; L38-H361 WeakPolarHBondContact CD2-CE1 3.5Å; L38-L365 HydrophobicContact CD2-CD1 3.83Å |
| 39 | E | 83.9 | Confident | 79 | Confident | 3 Ų | 3 | 30.9 Ų | 30.9 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.7 | -49.9 | 176.6 | -70.7 | 93.8 | 142.6 | 0 | 0 | 112 | F36 R41 I42 L43 R268 Y364 L365 F368 | F36-E39 WeakPolarHBondContact CA-OE2 3.49Å; F36-E39 HydrophobicContact CB-CB 4.2Å; F36-E39 HydrophobicContact CD1-CB 4.01Å; F36-E39 HydrophobicContact CD1-CG 3.93Å; F36-E39 PolarHBondContact O-N 3.34Å; E39-R41 VanDerWaalsContact C-N 3.34Å; E39-R41 PolarHBondContact O-N 3.06Å; E39-I42 PolarHBondContact O-N 2.92Å; E39-L43 VanDerWaalsContact O-CG 3.27Å; E39-L43 WeakPolarHBondContact O-CG 3.31Å; E39-L43 PolarHBondContact O-N 2.93Å; E39-R268 IonicContact OE1-CZ 3.15Å; E39-R268 IonicContact OE1-NH1 2.79Å; E39-R268 PolarHBondContact OE1-NH1 3.29Å; E39-R268 IonicContact OE2-NH1 2.67Å; E39-Y364 HydrophobicContact CG-CE1 4.15Å; E39-Y364 WeakPolarHBondContact OE1-CE1 3.21Å; E39-Y364 PolarHBondContact OE1-OH 3.06Å; E39-L365 HydrophobicContact CG-CD2 3.97Å; E39-F368 HydrophobicContact CB-CD1 4.28Å; E39-F368 HydrophobicContact CB-CE1 3.65Å; E39-F368 HydrophobicContact CB-CZ 3.81Å; E39-F368 HydrophobicContact CG-CD1 4.15Å; E39-F368 HydrophobicContact CG-CE1 3.97Å; E39-F368 HydrophobicContact CG-CE2 4.35Å; E39-F368 HydrophobicContact CG-CG 4.44Å; E39-F368 HydrophobicContact CG-CZ 4.08Å |
| 40 | R | 83.3 | Confident | 78.9 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 178.5 | -69.8 | 162.7 | 82 | 152.4 | -7.2 | 112.2 | I29 S31 F36 L43 Q44 D67 L105 | I29-R40 HydrophobicContact CG2-CG 4.47Å; S31-R40 PolarHBondContact O-NH1 2.91Å; S31-R40 PolarHBondContact OG-NH1 3.48Å; F36-R40 HydrophobicContact CB-CG 4.22Å; F36-R40 VanDerWaalsContact O-CB 3.26Å; F36-R40 WeakPolarHBondContact O-CB 3.42Å; F36-R40 WeakPolarHBondContact O-CD 3.24Å; F36-R40 WeakPolarHBondContact O-CG 3.36Å; F36-R40 PolarHBondContact O-N 3.5Å; R40-L43 PolarHBondContact O-N 3.31Å; R40-Q44 PolarHBondContact O-N 3.11Å; R40-D67 IonicContact CZ-OD1 3.1Å; R40-D67 IonicContact CZ-OD2 2.64Å; R40-D67 IonicContact NE-OD1 2.84Å; R40-D67 IonicContact NE-OD2 2.69Å; R40-D67 PolarHBondContact NE-OD2 3.34Å; R40-D67 IonicContact NH2-OD1 3Å; R40-D67 PolarHBondContact NH2-OD1 2.88Å; R40-D67 IonicContact NH2-OD2 3.14Å; R40-D67 PolarHBondContact NH2-OD2 3.43Å; R40-D67 VanDerWaalsContact NH2-OD2 3.08Å; R40-L105 HydrophobicContact CG-CD1 4.38Å |
| 41 | R | 79.5 | Confident | 79.2 | Confident | 65 Ų | 65 | 33.7 Ų | 33.7 | 25% | 0.245 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61 | -51.5 | 173 | 177.5 | 176.6 | -60.3 | 172.3 | 1.4 | 110.9 | S37 L38 E39 L43 Q44 E45 | S37-R41 VanDerWaalsContact O-CB 3.24Å; S37-R41 WeakPolarHBondContact O-CB 3.48Å; S37-R41 PolarHBondContact O-N 3.17Å; L38-R41 PolarHBondContact O-N 2.79Å; E39-R41 VanDerWaalsContact C-N 3.34Å; E39-R41 PolarHBondContact O-N 3.06Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 3.1Å; R41-Q44 PolarHBondContact O-N 2.76Å; R41-Q44 VanDerWaalsContact O-N 3.07Å; R41-E45 VanDerWaalsContact CD-OE1 3.28Å; R41-E45 WeakPolarHBondContact CD-OE1 3.31Å; R41-E45 VanDerWaalsContact CG-CD 3.42Å; R41-E45 HydrophobicContact CG-CG 4.27Å; R41-E45 WeakPolarHBondContact CG-OE1 3.17Å; R41-E45 WeakPolarHBondContact O-CB 3.46Å; R41-E45 WeakPolarHBondContact O-CG 3.22Å; R41-E45 PolarHBondContact O-N 2.78Å |
| 42 | I | 82 | Confident | 79.5 | Confident | 37 Ų | 37 | 38 Ų | 38 | 19% | 0.19 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.2 | -37.4 | 178.6 | -70.5 | 168.2 | 0 | 0 | 0 | 111.5 | L38 E39 Q44 E45 S46 L365 V369 | L38-I42 HydrophobicContact CD1-CD1 4.09Å; L38-I42 HydrophobicContact CD2-CD1 4.43Å; L38-I42 HydrophobicContact CG-CD1 3.81Å; L38-I42 WeakPolarHBondContact O-CB 3.47Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 2.88Å; E39-I42 PolarHBondContact O-N 2.92Å; I42-Q44 VanDerWaalsContact C-N 3.35Å; I42-E45 PolarHBondContact O-N 2.67Å; I42-S46 WeakPolarHBondContact O-CB 3.43Å; I42-S46 PolarHBondContact O-N 2.91Å; I42-S46 PolarHBondContact O-OG 2.95Å; I42-L365 HydrophobicContact CD1-CD1 3.82Å; I42-L365 HydrophobicContact CD1-CD2 3.88Å; I42-L365 HydrophobicContact CD1-CG 4.3Å; I42-V369 HydrophobicContact CG2-CG2 3.51Å |
| 43 | L | 83.3 | Confident | 79.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -63 | -40.5 | 173.6 | -71 | 176.4 | 0 | 0 | 0 | 112.2 | E39 R40 R41 T47 Y48 F368 F372 | E39-L43 VanDerWaalsContact O-CG 3.27Å; E39-L43 WeakPolarHBondContact O-CG 3.31Å; E39-L43 PolarHBondContact O-N 2.93Å; R40-L43 PolarHBondContact O-N 3.31Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 3.1Å; L43-T47 HydrophobicContact CD2-CG2 4.41Å; L43-T47 WeakPolarHBondContact CD2-OG1 3.09Å; L43-T47 CarbonylContact O-C 3.57Å; L43-T47 WeakPolarHBondContact O-CA 3.43Å; L43-T47 WeakPolarHBondContact O-CB 3.07Å; L43-T47 PolarHBondContact O-N 3.38Å; L43-Y48 HydrophobicContact CB-CD1 4.29Å; L43-Y48 HydrophobicContact CB-CE1 3.63Å; L43-Y48 WeakPolarHBondContact O-CD1 3.22Å; L43-Y48 PolarHBondContact O-N 3.14Å; L43-F368 HydrophobicContact CD1-CE1 3.74Å; L43-F368 HydrophobicContact CD1-CZ 4.02Å; L43-F368 HydrophobicContact CD2-CE1 3.94Å; L43-F368 HydrophobicContact CG-CE1 3.81Å; L43-F372 HydrophobicContact CD1-CD1 4.49Å; L43-F372 HydrophobicContact CD1-CD2 3.71Å; L43-F372 HydrophobicContact CD1-CE1 4.29Å; L43-F372 HydrophobicContact CD1-CE2 3.46Å; L43-F372 VanDerWaalsContact CD1-CE2 3.46Å; L43-F372 HydrophobicContact CD1-CG 4.22Å; L43-F372 HydrophobicContact CD1-CZ 3.77Å; L43-F372 HydrophobicContact CD2-CB 3.98Å; L43-F372 HydrophobicContact CD2-CD1 3.4Å; L43-F372 HydrophobicContact CD2-CD2 3.88Å; L43-F372 HydrophobicContact CD2-CE1 3.72Å; L43-F372 HydrophobicContact CD2-CE2 4.16Å; L43-F372 HydrophobicContact CD2-CG 3.48Å; L43-F372 VanDerWaalsContact CD2-CG 3.48Å; L43-F372 HydrophobicContact CD2-CZ 4.08Å; L43-F372 HydrophobicContact CG-CD2 4.46Å; L43-F372 HydrophobicContact CG-CE1 4.49Å; L43-F372 HydrophobicContact CG-CE2 4.42Å; L43-F372 HydrophobicContact CG-CZ 4.43Å |
| 44 | Q | 78.8 | Confident | 80.5 | Confident | 57 Ų | 57 | 45.8 Ų | 45.8 | 27% | 0.266 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -69.4 | -41.8 | 176.1 | -177.7 | 165.8 | -47.9 | 0 | 0 | 113 | M1 R40 R41 I42 Y48 L71 | M1-Q44 HydrophobicContact CE-CG 3.87Å; R40-Q44 PolarHBondContact O-N 3.11Å; R41-Q44 PolarHBondContact O-N 2.76Å; R41-Q44 VanDerWaalsContact O-N 3.07Å; I42-Q44 VanDerWaalsContact C-N 3.35Å; Q44-Y48 VanDerWaalsContact CA-CD2 3.49Å; Q44-Y48 HydrophobicContact CB-CD2 3.86Å; Q44-Y48 HydrophobicContact CB-CE2 3.56Å; Q44-Y48 HydrophobicContact CG-CD2 3.97Å; Q44-Y48 HydrophobicContact CG-CE2 3.96Å; Q44-L71 HydrophobicContact CG-CD1 4.45Å; Q44-L71 VanDerWaalsContact NE2-CD1 3.35Å |
| 45 | E | 78 | Confident | 81.2 | Confident | 97 Ų | 97 | 43.3 Ų | 43.3 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -70.9 | -40.6 | -179.2 | -72 | 166 | 176.2 | 0 | 0 | 112.4 | R41 I42 | R41-E45 VanDerWaalsContact CD-OE1 3.28Å; R41-E45 WeakPolarHBondContact CD-OE1 3.31Å; R41-E45 VanDerWaalsContact CG-CD 3.42Å; R41-E45 HydrophobicContact CG-CG 4.27Å; R41-E45 WeakPolarHBondContact CG-OE1 3.17Å; R41-E45 WeakPolarHBondContact O-CB 3.46Å; R41-E45 WeakPolarHBondContact O-CG 3.22Å; R41-E45 PolarHBondContact O-N 2.78Å; I42-E45 PolarHBondContact O-N 2.67Å |
| 46 | S | 76.2 | Confident | 81.6 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 36% | 0.357 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -111.4 | -33.8 | -170.5 | 72.3 | 0 | 0 | 0 | 0 | 115.4 | I42 | I42-S46 WeakPolarHBondContact O-CB 3.43Å; I42-S46 PolarHBondContact O-N 2.91Å; I42-S46 PolarHBondContact O-OG 2.95Å |
| 47 | T | 82.4 | Confident | 81.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -111.9 | -35.6 | -159.4 | -26.4 | 0 | 0 | 0 | 0 | 114.2 | L43 H49 D50 I51 V369 F372 K373 | L43-T47 HydrophobicContact CD2-CG2 4.41Å; L43-T47 WeakPolarHBondContact CD2-OG1 3.09Å; L43-T47 CarbonylContact O-C 3.57Å; L43-T47 WeakPolarHBondContact O-CA 3.43Å; L43-T47 WeakPolarHBondContact O-CB 3.07Å; L43-T47 PolarHBondContact O-N 3.38Å; T47-H49 VanDerWaalsContact C-N 3.28Å; T47-H49 PolarHBondContact O-N 2.94Å; T47-D50 PolarHBondContact O-N 2.88Å; T47-I51 HydrophobicContact CG2-CD1 3.73Å; T47-I51 HydrophobicContact CG2-CG1 4.29Å; T47-I51 WeakPolarHBondContact O-CD1 3.34Å; T47-I51 WeakPolarHBondContact O-CG1 3.46Å; T47-I51 PolarHBondContact O-N 3.18Å; T47-V369 HydrophobicContact CG2-CG1 4.26Å; T47-F372 HydrophobicContact CG2-CD1 4.07Å; T47-K373 HydrophobicContact CG2-CB 3.8Å; T47-K373 HydrophobicContact CG2-CD 4.3Å; T47-K373 HydrophobicContact CG2-CG 4.16Å |
| 48 | Y | 84.3 | Confident | 81.9 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 6% | 0.059 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -37 | 179.2 | -66.2 | -7.3 | 0 | 0 | 0 | 112.4 | I29 L43 Q44 R52 F65 F372 | I29-Y48 HydrophobicContact CD1-CE1 4.13Å; I29-Y48 WeakPolarHBondContact CD1-OH 3.41Å; L43-Y48 HydrophobicContact CB-CD1 4.29Å; L43-Y48 HydrophobicContact CB-CE1 3.63Å; L43-Y48 WeakPolarHBondContact O-CD1 3.22Å; L43-Y48 PolarHBondContact O-N 3.14Å; Q44-Y48 VanDerWaalsContact CA-CD2 3.49Å; Q44-Y48 HydrophobicContact CB-CD2 3.86Å; Q44-Y48 HydrophobicContact CB-CE2 3.56Å; Q44-Y48 HydrophobicContact CG-CD2 3.97Å; Q44-Y48 HydrophobicContact CG-CE2 3.96Å; Y48-R52 VanDerWaalsContact O-CB 3.25Å; Y48-R52 WeakPolarHBondContact O-CB 3.25Å; Y48-R52 PolarHBondContact O-N 2.9Å; Y48-F65 HydrophobicContact CD1-CB 4.11Å; Y48-F65 AromaticContact CD1-CD1 3.49Å; Y48-F65 HydrophobicContact CD1-CD1 3.49Å; Y48-F65 VanDerWaalsContact CD1-CD1 3.49Å; Y48-F65 AromaticContact CD1-CD2 3.56Å; Y48-F65 HydrophobicContact CD1-CD2 3.56Å; Y48-F65 AromaticContact CD1-CE1 3.74Å; Y48-F65 HydrophobicContact CD1-CE1 3.74Å; Y48-F65 AromaticContact CD1-CE2 3.8Å; Y48-F65 HydrophobicContact CD1-CE2 3.8Å; Y48-F65 AromaticContact CD1-CG 3.41Å; Y48-F65 HydrophobicContact CD1-CG 3.41Å; Y48-F65 VanDerWaalsContact CD1-CG 3.41Å; Y48-F65 AromaticContact CD1-CZ 3.89Å; Y48-F65 HydrophobicContact CD1-CZ 3.89Å; Y48-F65 HydrophobicContact CD2-CB 3.77Å; Y48-F65 HydrophobicContact CD2-CD2 4.15Å; Y48-F65 AromaticContact CD2-CG 3.94Å; Y48-F65 HydrophobicContact CD2-CG 3.94Å; Y48-F65 HydrophobicContact CE1-CB 4.19Å; Y48-F65 AromaticContact CE1-CD1 3.49Å; Y48-F65 HydrophobicContact CE1-CD1 3.49Å; Y48-F65 VanDerWaalsContact CE1-CD1 3.49Å; Y48-F65 HydrophobicContact CE1-CD2 4.35Å; Y48-F65 AromaticContact CE1-CE1 3.95Å; Y48-F65 HydrophobicContact CE1-CE1 3.95Å; Y48-F65 AromaticContact CE1-CG 3.73Å; Y48-F65 HydrophobicContact CE1-CG 3.73Å; Y48-F65 HydrophobicContact CE2-CB 3.88Å; Y48-F65 HydrophobicContact CE2-CG 4.25Å; Y48-F65 HydrophobicContact CG-CB 3.95Å; Y48-F65 HydrophobicContact CG-CD1 4.15Å; Y48-F65 AromaticContact CG-CD2 3.49Å; Y48-F65 HydrophobicContact CG-CD2 3.49Å; Y48-F65 VanDerWaalsContact CG-CD2 3.49Å; Y48-F65 HydrophobicContact CG-CE2 4.03Å; Y48-F65 AromaticContact CG-CG 3.57Å; Y48-F65 HydrophobicContact CG-CG 3.57Å; Y48-F372 HydrophobicContact CE1-CZ 4.34Å |
| 49 | H | 81.9 | Confident | 81.9 | Confident | 131 Ų | 131 | 52.9 Ų | 52.9 | 61% | 0.606 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.2 | -49.5 | 176.4 | 179.2 | -87 | 0 | 0 | 0 | 111.2 | T47 I51 R52 K53 | T47-H49 VanDerWaalsContact C-N 3.28Å; T47-H49 PolarHBondContact O-N 2.94Å; H49-I51 PolarHBondContact O-N 2.9Å; H49-R52 PolarHBondContact O-N 3.17Å; H49-K53 WeakPolarHBondContact O-CB 3.39Å; H49-K53 PolarHBondContact O-N 2.76Å |
| 50 | D | 83.3 | Confident | 81.6 | Confident | 64 Ų | 64 | 55.7 Ų | 55.7 | 34% | 0.342 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 179.4 | -87.9 | 14.9 | 0 | 0 | 0 | 112.7 | T47 R52 K53 Y54 K373 | T47-D50 PolarHBondContact O-N 2.88Å; D50-R52 VanDerWaalsContact C-N 3.35Å; D50-K53 PolarHBondContact O-N 2.67Å; D50-Y54 VanDerWaalsContact O-CB 3.32Å; D50-Y54 WeakPolarHBondContact O-CB 3.19Å; D50-Y54 PolarHBondContact O-N 2.9Å; D50-K373 IonicContact OD2-NZ 3.93Å; D50-K373 PolarHBondContact OD2-NZ 3.46Å |
| 51 | I | 85.9 | Confident | 81.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.7 | -37.5 | 179.7 | -65.3 | 161.5 | 0 | 0 | 0 | 110.9 | F27 T47 H49 S55 F65 F372 K373 A376 I380 | F27-I51 HydrophobicContact CE2-CG2 4.43Å; T47-I51 HydrophobicContact CG2-CD1 3.73Å; T47-I51 HydrophobicContact CG2-CG1 4.29Å; T47-I51 WeakPolarHBondContact O-CD1 3.34Å; T47-I51 WeakPolarHBondContact O-CG1 3.46Å; T47-I51 PolarHBondContact O-N 3.18Å; H49-I51 PolarHBondContact O-N 2.9Å; I51-S55 PolarHBondContact O-N 2.91Å; I51-S55 VanDerWaalsContact O-N 3.11Å; I51-F65 HydrophobicContact CB-CE2 4.1Å; I51-F65 HydrophobicContact CB-CZ 4.03Å; I51-F65 HydrophobicContact CD1-CE2 4.5Å; I51-F65 HydrophobicContact CD1-CZ 3.78Å; I51-F65 HydrophobicContact CG2-CE2 4.07Å; I51-F65 HydrophobicContact CG2-CZ 3.8Å; I51-F372 HydrophobicContact CD1-CD1 3.87Å; I51-F372 HydrophobicContact CD1-CE1 3.54Å; I51-K373 HydrophobicContact CG1-CG 4.35Å; I51-A376 HydrophobicContact CD1-CB 3.6Å; I51-A376 HydrophobicContact CG1-CB 4.2Å; I51-A376 HydrophobicContact CG2-CB 4.19Å; I51-I380 HydrophobicContact CG2-CD1 3.28Å |
| 52 | R | 84.8 | Confident | 81.6 | Confident | 95 Ų | 95 | 55.4 Ų | 55.4 | 36% | 0.358 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 174.3 | -172.4 | 177.2 | -168.1 | -140.7 | -0.4 | 111.7 | Y48 H49 D50 S55 Q56 D62 V63 | Y48-R52 VanDerWaalsContact O-CB 3.25Å; Y48-R52 WeakPolarHBondContact O-CB 3.25Å; Y48-R52 PolarHBondContact O-N 2.9Å; H49-R52 PolarHBondContact O-N 3.17Å; D50-R52 VanDerWaalsContact C-N 3.35Å; R52-S55 PolarHBondContact O-N 2.81Å; R52-Q56 WeakPolarHBondContact O-CB 3.16Å; R52-Q56 VanDerWaalsContact O-CG 3.3Å; R52-Q56 WeakPolarHBondContact O-CG 3.39Å; R52-Q56 PolarHBondContact O-N 3.29Å; R52-D62 IonicContact CZ-OD1 2.81Å; R52-D62 VanDerWaalsContact CZ-OD1 3.24Å; R52-D62 IonicContact CZ-OD2 3.43Å; R52-D62 IonicContact NE-OD1 2.66Å; R52-D62 PolarHBondContact NE-OD1 2.91Å; R52-D62 IonicContact NE-OD2 2.66Å; R52-D62 VanDerWaalsContact NH2-CG 3.29Å; R52-D62 IonicContact NH2-OD1 2.95Å; R52-D62 PolarHBondContact NH2-OD1 3.41Å; R52-D62 IonicContact NH2-OD2 2.69Å; R52-D62 PolarHBondContact NH2-OD2 3.33Å; R52-V63 HydrophobicContact CB-CB 4.18Å; R52-V63 WeakPolarHBondContact CD-O 3.46Å; R52-V63 HydrophobicContact CG-CB 4.2Å; R52-V63 PolarHBondContact NE-O 2.88Å |
| 53 | K | 83.1 | Confident | 81.7 | Confident | 98 Ų | 98 | 53.8 Ų | 53.8 | 43% | 0.426 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60 | -48 | 175.2 | -178.3 | 180 | 172.9 | -174.6 | 0 | 111.1 | H49 D50 S55 Q56 E57 | H49-K53 WeakPolarHBondContact O-CB 3.39Å; H49-K53 PolarHBondContact O-N 2.76Å; D50-K53 PolarHBondContact O-N 2.67Å; K53-S55 PolarHBondContact O-N 2.97Å; K53-Q56 PolarHBondContact O-N 2.9Å; K53-E57 WeakPolarHBondContact CE-OE1 3.3Å; K53-E57 WeakPolarHBondContact CE-OE2 3.27Å; K53-E57 HydrophobicContact CG-CG 4.2Å; K53-E57 IonicContact NZ-OE1 2.45Å; K53-E57 WeakPolarHBondContact O-CB 3.43Å; K53-E57 WeakPolarHBondContact O-CG 3.48Å; K53-E57 PolarHBondContact O-N 2.6Å |
| 54 | Y | 85.3 | Confident | 81.6 | Confident | 72 Ų | 72 | 55.4 Ų | 55.4 | 28% | 0.282 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.1 | -51.2 | 175.9 | 180 | -92.1 | 0 | 0 | 0 | 112.3 | D50 Q56 E57 K58 C377 D381 | D50-Y54 VanDerWaalsContact O-CB 3.32Å; D50-Y54 WeakPolarHBondContact O-CB 3.19Å; D50-Y54 PolarHBondContact O-N 2.9Å; Y54-Q56 PolarHBondContact O-N 2.92Å; Y54-E57 PolarHBondContact O-N 2.82Å; Y54-K58 HydrophobicContact CD1-CD 4.36Å; Y54-K58 HydrophobicContact CE1-CD 3.72Å; Y54-K58 HydrophobicContact CE2-CD 4.26Å; Y54-K58 WeakPolarHBondContact O-CB 3.31Å; Y54-K58 PolarHBondContact O-N 2.92Å; Y54-K58 PolarHBondContact OH-NZ 2.84Å; Y54-C377 HydrophobicContact CD1-CB 4.28Å; Y54-C377 VanDerWaalsContact CD1-SG 3.56Å; Y54-C377 HydrophobicContact CE1-CB 3.67Å; Y54-C377 VanDerWaalsContact CE1-SG 3.52Å; Y54-C377 HydrophobicContact CE2-CB 4.38Å; Y54-C377 VanDerWaalsContact CZ-SG 3.6Å; Y54-D381 PolarHBondContact OH-OD1 2.83Å |
| 55 | S | 82.7 | Confident | 81.7 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64 | -37.9 | 179 | -176 | 0 | 0 | 0 | 0 | 113.1 | I51 R52 K53 Y59 G60 L61 V63 | I51-S55 PolarHBondContact O-N 2.91Å; I51-S55 VanDerWaalsContact O-N 3.11Å; R52-S55 PolarHBondContact O-N 2.81Å; K53-S55 PolarHBondContact O-N 2.97Å; S55-Y59 CarbonylContact O-C 3.53Å; S55-Y59 WeakPolarHBondContact O-CA 3.33Å; S55-Y59 PolarHBondContact O-N 2.96Å; S55-G60 PolarHBondContact O-N 3.17Å; S55-G60 VanDerWaalsContact O-N 3.16Å; S55-L61 CarbonylContact C-O 3.54Å; S55-L61 WeakPolarHBondContact CB-O 3.44Å; S55-L61 PolarHBondContact O-N 2.91Å; S55-L61 PolarHBondContact OG-O 3.02Å; S55-V63 WeakPolarHBondContact OG-CG2 3.4Å |
| 56 | Q | 80.1 | Confident | 81.8 | Confident | 89 Ų | 89 | 49.3 Ų | 49.3 | 42% | 0.416 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70.6 | -44 | 178.1 | -71.4 | 177.2 | 3 | 0 | 0 | 111.9 | R52 K53 Y54 G60 L61 D62 | R52-Q56 WeakPolarHBondContact O-CB 3.16Å; R52-Q56 VanDerWaalsContact O-CG 3.3Å; R52-Q56 WeakPolarHBondContact O-CG 3.39Å; R52-Q56 PolarHBondContact O-N 3.29Å; K53-Q56 PolarHBondContact O-N 2.9Å; Y54-Q56 PolarHBondContact O-N 2.92Å; Q56-G60 WeakPolarHBondContact O-CA 3.39Å; Q56-G60 PolarHBondContact O-N 2.87Å; Q56-G60 VanDerWaalsContact O-N 3.09Å; Q56-L61 PolarHBondContact N-O 2.81Å; Q56-D62 PolarHBondContact NE2-OD1 3.06Å |
| 57 | E | 81 | Confident | 81.8 | Confident | 142 Ų | 142 | 47.1 Ų | 47.1 | 66% | 0.664 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -71.1 | -34.5 | 178.6 | -71.1 | -179.3 | 152.4 | 0 | 0 | 112.8 | K53 Y54 | K53-E57 WeakPolarHBondContact CE-OE1 3.3Å; K53-E57 WeakPolarHBondContact CE-OE2 3.27Å; K53-E57 HydrophobicContact CG-CG 4.2Å; K53-E57 IonicContact NZ-OE1 2.45Å; K53-E57 WeakPolarHBondContact O-CB 3.43Å; K53-E57 WeakPolarHBondContact O-CG 3.48Å; K53-E57 PolarHBondContact O-N 2.6Å; Y54-E57 PolarHBondContact O-N 2.82Å |
| 58 | K | 80.9 | Confident | 81.2 | Confident | 44 Ų | 44 | 47.1 Ų | 47.1 | 19% | 0.191 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -90 | -34.5 | -175.2 | -172.3 | 173.9 | 171.1 | 173.6 | 0 | 114.3 | Y54 D381 L402 | Y54-K58 HydrophobicContact CD1-CD 4.36Å; Y54-K58 HydrophobicContact CE1-CD 3.72Å; Y54-K58 HydrophobicContact CE2-CD 4.26Å; Y54-K58 WeakPolarHBondContact O-CB 3.31Å; Y54-K58 PolarHBondContact O-N 2.92Å; Y54-K58 PolarHBondContact OH-NZ 2.84Å; K58-D381 VanDerWaalsContact CE-OD1 3.29Å; K58-D381 WeakPolarHBondContact CE-OD1 2.97Å; K58-D381 IonicContact NZ-OD1 3.33Å; K58-D381 PolarHBondContact NZ-OD1 2.85Å; K58-D381 IonicContact NZ-OD2 3.59Å; K58-D381 PolarHBondContact NZ-OD2 3.28Å; K58-L402 HydrophobicContact CD-CD1 4.49Å; K58-L402 HydrophobicContact CD-CD2 3.94Å; K58-L402 HydrophobicContact CG-CD1 4.12Å; K58-L402 HydrophobicContact CG-CD2 4.03Å |
| 59 | Y | 78.4 | Confident | 80.5 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 19% | 0.188 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -133.6 | -7.7 | -171.7 | -63.7 | -65.4 | 0 | 0 | 0 | 114.9 | S55 L61 I380 D381 A384 | S55-Y59 CarbonylContact O-C 3.53Å; S55-Y59 WeakPolarHBondContact O-CA 3.33Å; S55-Y59 PolarHBondContact O-N 2.96Å; Y59-L61 PolarHBondContact O-N 2.91Å; Y59-I380 HydrophobicContact CD2-CG2 3.88Å; Y59-I380 HydrophobicContact CE2-CG2 3.98Å; Y59-D381 WeakPolarHBondContact CE2-OD1 3.45Å; Y59-D381 VanDerWaalsContact OH-CG 3.31Å; Y59-D381 PolarHBondContact OH-OD1 3.41Å; Y59-D381 PolarHBondContact OH-OD2 3.36Å; Y59-A384 HydrophobicContact CD1-CB 3.68Å; Y59-A384 HydrophobicContact CD2-CB 3.51Å; Y59-A384 HydrophobicContact CE1-CB 3.66Å; Y59-A384 HydrophobicContact CE2-CB 3.5Å; Y59-A384 VanDerWaalsContact CE2-CB 3.5Å; Y59-A384 HydrophobicContact CG-CB 3.59Å |
| 60 | G | 78.2 | Confident | 79.5 | Confident | 62 Ų | 62 | 42.1 Ų | 42.1 | 64% | 0.639 | 21% | 0.211 | S | C | * | . | S | Bend | trans | 64.6 | 13.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S55 Q56 | S55-G60 PolarHBondContact O-N 3.17Å; S55-G60 VanDerWaalsContact O-N 3.16Å; Q56-G60 WeakPolarHBondContact O-CA 3.39Å; Q56-G60 PolarHBondContact O-N 2.87Å; Q56-G60 VanDerWaalsContact O-N 3.09Å |
| 61 | L | 81.2 | Confident | 78.3 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | trans | -91.1 | 136.1 | 177.1 | -67.4 | 174.2 | 0 | 0 | 0 | 109.8 | I25 S55 Q56 Y59 A384 K387 | I25-L61 HydrophobicContact CD1-CD1 4.02Å; S55-L61 CarbonylContact C-O 3.54Å; S55-L61 WeakPolarHBondContact CB-O 3.44Å; S55-L61 PolarHBondContact O-N 2.91Å; S55-L61 PolarHBondContact OG-O 3.02Å; Q56-L61 PolarHBondContact N-O 2.81Å; Y59-L61 PolarHBondContact O-N 2.91Å; L61-A384 HydrophobicContact CD1-CB 3.88Å; L61-K387 HydrophobicContact CD1-CD 4.05Å; L61-K387 HydrophobicContact CD2-CD 4.26Å | ||
| 62 | D | 81.7 | Confident | 76.9 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 153 | 174.8 | -161.7 | 17.4 | 0 | 0 | 0 | 111.6 | R23 T24 I25 R52 Q56 | R23-D62 PolarHBondContact O-N 2.92Å; T24-D62 CarbonylContact C-O 3.53Å; T24-D62 VanDerWaalsContact CA-O 3.24Å; T24-D62 WeakPolarHBondContact CA-O 3.32Å; T24-D62 HydrophobicContact CG2-CB 4.39Å; I25-D62 PolarHBondContact N-O 2.73Å; R52-D62 IonicContact CZ-OD1 2.81Å; R52-D62 VanDerWaalsContact CZ-OD1 3.24Å; R52-D62 IonicContact CZ-OD2 3.43Å; R52-D62 IonicContact NE-OD1 2.66Å; R52-D62 PolarHBondContact NE-OD1 2.91Å; R52-D62 IonicContact NE-OD2 2.66Å; R52-D62 VanDerWaalsContact NH2-CG 3.29Å; R52-D62 IonicContact NH2-OD1 2.95Å; R52-D62 PolarHBondContact NH2-OD1 3.41Å; R52-D62 IonicContact NH2-OD2 2.69Å; R52-D62 PolarHBondContact NH2-OD2 3.33Å; Q56-D62 PolarHBondContact NE2-OD1 3.06Å |
| 63 | V | 83.6 | Confident | 75.7 | Confident | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.5 | 178.2 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | I25 F27 R52 S55 F65 I380 | I25-V63 CarbonylContact O-C 3.52Å; I25-V63 WeakPolarHBondContact O-CA 3.39Å; F27-V63 HydrophobicContact CD2-CG1 3.6Å; F27-V63 HydrophobicContact CE2-CG1 3.85Å; R52-V63 HydrophobicContact CB-CB 4.18Å; R52-V63 WeakPolarHBondContact CD-O 3.46Å; R52-V63 HydrophobicContact CG-CB 4.2Å; R52-V63 PolarHBondContact NE-O 2.88Å; S55-V63 WeakPolarHBondContact OG-CG2 3.4Å; V63-F65 HydrophobicContact CG1-CD2 4.05Å; V63-F65 HydrophobicContact CG1-CE2 3.63Å; V63-F65 HydrophobicContact CG1-CZ 4.21Å; V63-I380 HydrophobicContact CG2-CD1 3.97Å; V63-I380 HydrophobicContact CG2-CG1 4.42Å |
| 64 | C | 81.8 | Confident | 74.5 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 24% | 0.236 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 99.6 | 179.1 | -81.2 | 0 | 0 | 0 | 0 | 110.6 | T24 I25 Y26 F27 | T24-C64 HydrophobicContact CG2-CB 4.07Å; I25-C64 PolarHBondContact O-N 3.15Å; Y26-C64 VanDerWaalsContact CA-O 3.31Å; Y26-C64 WeakPolarHBondContact CA-O 3.27Å; Y26-C64 HydrophobicContact CD1-CB 3.63Å; Y26-C64 HydrophobicContact CE1-CB 3.92Å; Y26-C64 HydrophobicContact CG-CB 4.41Å; F27-C64 PolarHBondContact N-O 3.07Å |
| 65 | F | 81.5 | Confident | 73.4 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 7% | 0.07 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 130.2 | 163.6 | -68.2 | -87.9 | 0 | 0 | 0 | 109.9 | F27 Y48 I51 V63 I103 F372 | F27-F65 HydrophobicContact CB-CD1 3.44Å; F27-F65 VanDerWaalsContact CB-CD1 3.44Å; F27-F65 HydrophobicContact CB-CE1 3.56Å; F27-F65 HydrophobicContact CB-CG 4.19Å; F27-F65 HydrophobicContact CB-CZ 4.39Å; F27-F65 HydrophobicContact CD1-CE1 4.47Å; F27-F65 HydrophobicContact CD2-CD1 4.25Å; F27-F65 AromaticContact CD2-CE1 3.65Å; F27-F65 HydrophobicContact CD2-CE1 3.65Å; F27-F65 HydrophobicContact CD2-CE2 4.27Å; F27-F65 AromaticContact CD2-CZ 3.66Å; F27-F65 HydrophobicContact CD2-CZ 3.66Å; F27-F65 HydrophobicContact CE2-CE1 4.47Å; F27-F65 HydrophobicContact CE2-CZ 4.19Å; F27-F65 HydrophobicContact CG-CD1 4.08Å; F27-F65 AromaticContact CG-CE1 3.66Å; F27-F65 HydrophobicContact CG-CE1 3.66Å; F27-F65 HydrophobicContact CG-CZ 4.16Å; Y48-F65 HydrophobicContact CD1-CB 4.11Å; Y48-F65 AromaticContact CD1-CD1 3.49Å; Y48-F65 HydrophobicContact CD1-CD1 3.49Å; Y48-F65 VanDerWaalsContact CD1-CD1 3.49Å; Y48-F65 AromaticContact CD1-CD2 3.56Å; Y48-F65 HydrophobicContact CD1-CD2 3.56Å; Y48-F65 AromaticContact CD1-CE1 3.74Å; Y48-F65 HydrophobicContact CD1-CE1 3.74Å; Y48-F65 AromaticContact CD1-CE2 3.8Å; Y48-F65 HydrophobicContact CD1-CE2 3.8Å; Y48-F65 AromaticContact CD1-CG 3.41Å; Y48-F65 HydrophobicContact CD1-CG 3.41Å; Y48-F65 VanDerWaalsContact CD1-CG 3.41Å; Y48-F65 AromaticContact CD1-CZ 3.89Å; Y48-F65 HydrophobicContact CD1-CZ 3.89Å; Y48-F65 HydrophobicContact CD2-CB 3.77Å; Y48-F65 HydrophobicContact CD2-CD2 4.15Å; Y48-F65 AromaticContact CD2-CG 3.94Å; Y48-F65 HydrophobicContact CD2-CG 3.94Å; Y48-F65 HydrophobicContact CE1-CB 4.19Å; Y48-F65 AromaticContact CE1-CD1 3.49Å; Y48-F65 HydrophobicContact CE1-CD1 3.49Å; Y48-F65 VanDerWaalsContact CE1-CD1 3.49Å; Y48-F65 HydrophobicContact CE1-CD2 4.35Å; Y48-F65 AromaticContact CE1-CE1 3.95Å; Y48-F65 HydrophobicContact CE1-CE1 3.95Å; Y48-F65 AromaticContact CE1-CG 3.73Å; Y48-F65 HydrophobicContact CE1-CG 3.73Å; Y48-F65 HydrophobicContact CE2-CB 3.88Å; Y48-F65 HydrophobicContact CE2-CG 4.25Å; Y48-F65 HydrophobicContact CG-CB 3.95Å; Y48-F65 HydrophobicContact CG-CD1 4.15Å; Y48-F65 AromaticContact CG-CD2 3.49Å; Y48-F65 HydrophobicContact CG-CD2 3.49Å; Y48-F65 VanDerWaalsContact CG-CD2 3.49Å; Y48-F65 HydrophobicContact CG-CE2 4.03Å; Y48-F65 AromaticContact CG-CG 3.57Å; Y48-F65 HydrophobicContact CG-CG 3.57Å; I51-F65 HydrophobicContact CB-CE2 4.1Å; I51-F65 HydrophobicContact CB-CZ 4.03Å; I51-F65 HydrophobicContact CD1-CE2 4.5Å; I51-F65 HydrophobicContact CD1-CZ 3.78Å; I51-F65 HydrophobicContact CG2-CE2 4.07Å; I51-F65 HydrophobicContact CG2-CZ 3.8Å; V63-F65 HydrophobicContact CG1-CD2 4.05Å; V63-F65 HydrophobicContact CG1-CE2 3.63Å; V63-F65 HydrophobicContact CG1-CZ 4.21Å; F65-I103 HydrophobicContact CD1-CD1 4.34Å; F65-I103 HydrophobicContact CE1-CD1 4.07Å; F65-F372 HydrophobicContact CE1-CE1 4.17Å; F65-F372 AromaticContact CE1-CZ 3.97Å; F65-F372 HydrophobicContact CE1-CZ 3.97Å |
| 66 | I | 79 | Confident | 72.6 | Confident | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.051 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 85.4 | 173.9 | -61.6 | 179.1 | 0 | 0 | 0 | 105.5 | Y26 F27 F28 I29 P68 L89 Y93 | Y26-I66 HydrophobicContact CD1-CD1 3.88Å; F27-I66 PolarHBondContact O-N 3.33Å; F28-I66 HydrophobicContact CD2-CB 4.23Å; F28-I66 HydrophobicContact CD2-CG2 3.81Å; F28-I66 HydrophobicContact CE2-CG2 4.18Å; I29-I66 PolarHBondContact N-O 3.04Å; I66-P68 WeakPolarHBondContact O-CD 3.29Å; I66-L89 HydrophobicContact CG2-CD1 4.41Å; I66-L89 HydrophobicContact CG2-CD2 4.49Å; I66-Y93 HydrophobicContact CD1-CD1 3.41Å; I66-Y93 VanDerWaalsContact CD1-CD1 3.41Å; I66-Y93 HydrophobicContact CD1-CD2 3.44Å; I66-Y93 VanDerWaalsContact CD1-CD2 3.44Å; I66-Y93 HydrophobicContact CD1-CE1 3.51Å; I66-Y93 HydrophobicContact CD1-CE2 3.57Å; I66-Y93 HydrophobicContact CD1-CG 3.34Å |
| 67 | D | 76.2 | Confident | 72 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -73.2 | 118.1 | 153 | -165.8 | -48.9 | 0 | 0 | 0 | 106.8 | R40 R69 | R40-D67 IonicContact CZ-OD1 3.1Å; R40-D67 IonicContact CZ-OD2 2.64Å; R40-D67 IonicContact NE-OD1 2.84Å; R40-D67 IonicContact NE-OD2 2.69Å; R40-D67 PolarHBondContact NE-OD2 3.34Å; R40-D67 IonicContact NH2-OD1 3Å; R40-D67 PolarHBondContact NH2-OD1 2.88Å; R40-D67 IonicContact NH2-OD2 3.14Å; R40-D67 PolarHBondContact NH2-OD2 3.43Å; R40-D67 VanDerWaalsContact NH2-OD2 3.08Å; D67-R69 VanDerWaalsContact C-N 3.26Å; D67-R69 PolarHBondContact O-N 2.8Å; D67-R69 PolarHBondContact OD1-N 2.95Å | ||
| 68 | P | 70.7 | Confident | 71.5 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | trans | -73.6 | -16.2 | -177.9 | 29 | -34.8 | 0 | 0 | 0 | 113.2 | F28 I66 Y82 F86 L89 | F28-P68 HydrophobicContact CE2-CB 4.11Å; F28-P68 HydrophobicContact CE2-CG 4.13Å; F28-P68 HydrophobicContact CZ-CB 4.39Å; F28-P68 HydrophobicContact CZ-CG 4.11Å; I66-P68 WeakPolarHBondContact O-CD 3.29Å; P68-Y82 WeakPolarHBondContact O-CE2 3.42Å; P68-F86 HydrophobicContact CB-CD2 3.83Å; P68-F86 HydrophobicContact CB-CE2 4.12Å; P68-F86 HydrophobicContact CG-CD2 3.86Å; P68-F86 HydrophobicContact CG-CE2 3.62Å; P68-L89 HydrophobicContact CB-CD1 3.99Å | ||
| 69 | R | 69.9 | Low | 70.7 | Confident | 22 Ų | 22 | 37 Ų | 37 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -109.1 | 134.7 | -168.5 | -166.2 | 164.1 | 167.1 | 164 | -5 | 111.3 | Y33 D67 L71 L77 Y82 E227 | Y33-R69 VanDerWaalsContact CD1-CZ 3.42Å; Y33-R69 VanDerWaalsContact CD1-NE 3.34Å; Y33-R69 HydrophobicContact CD2-CB 4.45Å; Y33-R69 HydrophobicContact CD2-CG 4.34Å; Y33-R69 HydrophobicContact CG-CG 4.42Å; D67-R69 VanDerWaalsContact C-N 3.26Å; D67-R69 PolarHBondContact O-N 2.8Å; D67-R69 PolarHBondContact OD1-N 2.95Å; R69-L71 PolarHBondContact O-N 3.22Å; R69-L77 HydrophobicContact CG-CD2 4.34Å; R69-Y82 HydrophobicContact CB-CE2 4.25Å; R69-Y82 WeakPolarHBondContact CB-OH 3.39Å; R69-Y82 HydrophobicContact CG-CE2 4.34Å; R69-E227 WeakPolarHBondContact CD-OE1 3.05Å; R69-E227 IonicContact CZ-OE1 2.66Å; R69-E227 IonicContact NE-OE1 3.75Å; R69-E227 VanDerWaalsContact NH1-CD 3.33Å; R69-E227 IonicContact NH1-OE1 3.23Å; R69-E227 PolarHBondContact NH1-OE1 3.16Å; R69-E227 IonicContact NH1-OE2 3.38Å; R69-E227 PolarHBondContact NH1-OE2 2.98Å |
| 70 | P | 61.2 | Low | 70 | Confident | 19 Ų | 19 | 36.1 Ų | 36.1 | 12% | 0.123 | 20% | 0.202 | C | C | . | . | trans | -61.9 | 136.5 | 173.8 | 24.9 | -33.9 | 0 | 0 | 0 | 111.3 | C8 E72 L77 L80 | C8-P70 HydrophobicContact CB-CB 4.35Å; P70-E72 PolarHBondContact O-N 2.86Å; P70-L77 HydrophobicContact CG-CD2 3.99Å; P70-L80 HydrophobicContact CG-CD1 4.09Å | ||
| 71 | L | 56.3 | Low | 69.5 | Low | 43 Ų | 43 | 34.1 Ų | 34.1 | 23% | 0.225 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -67.1 | -17.5 | 171.3 | -71.5 | -175.7 | 0 | 0 | 0 | 113.3 | Y33 Q44 R69 | Y33-L71 HydrophobicContact CE2-CD2 4.39Å; Y33-L71 PolarHBondContact OH-O 2.79Å; Q44-L71 HydrophobicContact CG-CD1 4.45Å; Q44-L71 VanDerWaalsContact NE2-CD1 3.35Å; R69-L71 PolarHBondContact O-N 3.22Å |
| 72 | E | 57.7 | Low | 69.1 | Low | 100 Ų | 100 | 33.2 Ų | 33.2 | 47% | 0.467 | 18% | 0.177 | S | C | . | . | trans | -88.3 | 108 | 178.7 | -71.3 | 176.7 | -156.8 | 0 | 0 | 110.2 | P70 I74 | P70-E72 PolarHBondContact O-N 2.86Å; E72-I74 HydrophobicContact CB-CB 4.29Å; E72-I74 HydrophobicContact CB-CD1 4.23Å; E72-I74 HydrophobicContact CB-CG1 4.11Å; E72-I74 HydrophobicContact CG-CD1 4.22Å; E72-I74 PolarHBondContact O-N 2.92Å | ||
| 73 | D | 59.4 | Low | 68.7 | Low | 107 Ų | 107 | 32 Ų | 32 | 57% | 0.572 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 12.5 | 168.6 | -56.9 | -42.8 | 0 | 0 | 0 | 113.1 | ||
| 74 | I | 57.2 | Low | 68.2 | Low | 66 Ų | 66 | 34.9 Ų | 34.9 | 34% | 0.338 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -20.9 | -170.9 | -47.5 | 173.7 | 0 | 0 | 0 | 111.5 | E72 F181 I188 | E72-I74 HydrophobicContact CB-CB 4.29Å; E72-I74 HydrophobicContact CB-CD1 4.23Å; E72-I74 HydrophobicContact CB-CG1 4.11Å; E72-I74 HydrophobicContact CG-CD1 4.22Å; E72-I74 PolarHBondContact O-N 2.92Å; I74-F181 HydrophobicContact CD1-CE2 4.42Å; I74-I188 HydrophobicContact CG2-CD1 4.46Å; I74-I188 WeakPolarHBondContact O-CD1 3.41Å |
| 75 | V | 62.1 | Low | 67.7 | Low | 48 Ų | 48 | 34 Ų | 34 | 29% | 0.291 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -110.7 | 113.1 | 175.5 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | L77 L80 | V75-L77 PolarHBondContact O-N 2.71Å; V75-L80 HydrophobicContact CB-CD1 4.08Å; V75-L80 HydrophobicContact CB-CG 4.49Å; V75-L80 HydrophobicContact CG1-CD1 3.78Å; V75-L80 HydrophobicContact CG1-CD2 3.9Å; V75-L80 HydrophobicContact CG1-CG 3.65Å |
| 76 | P | 65.7 | Low | 67.5 | Low | 4 Ų | 4 | 33.5 Ų | 33.5 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | trans | -68 | 126.5 | -178.3 | 28.1 | -33.1 | 0 | 0 | 0 | 110.1 | E78 H79 M169 L176 W191 | P76-E78 VanDerWaalsContact C-N 3.3Å; P76-E78 PolarHBondContact O-N 3.18Å; P76-E78 VanDerWaalsContact O-N 3.11Å; P76-H79 VanDerWaalsContact O-CB 3.3Å; P76-H79 WeakPolarHBondContact O-CB 3.43Å; P76-H79 PolarHBondContact O-N 3.13Å; P76-M169 HydrophobicContact CB-CE 3.51Å; P76-M169 HydrophobicContact CG-CE 3.48Å; P76-M169 VanDerWaalsContact CG-CE 3.48Å; P76-L176 HydrophobicContact CG-CD1 4.14Å; P76-W191 VanDerWaalsContact CB-CD1 3.42Å; P76-W191 HydrophobicContact CB-CG 4.24Å | ||
| 77 | L | 67.6 | Low | 67.5 | Low | 15 Ų | 15 | 37 Ų | 37 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -57.8 | -35.3 | -156.3 | -67.6 | 169 | 0 | 0 | 0 | 114.7 | R69 P70 V75 H79 L80 Y82 L112 | R69-L77 HydrophobicContact CG-CD2 4.34Å; P70-L77 HydrophobicContact CG-CD2 3.99Å; V75-L77 PolarHBondContact O-N 2.71Å; L77-H79 PolarHBondContact O-N 3.34Å; L77-L80 WeakPolarHBondContact O-CB 3.37Å; L77-L80 PolarHBondContact O-N 3.36Å; L77-L80 VanDerWaalsContact O-N 3.1Å; L77-Y82 HydrophobicContact CB-CD1 3.95Å; L77-Y82 HydrophobicContact CB-CG 4.07Å; L77-Y82 HydrophobicContact CD1-CD1 3.91Å; L77-Y82 HydrophobicContact CD1-CE1 4.1Å; L77-Y82 HydrophobicContact CD2-CD1 4.03Å; L77-Y82 HydrophobicContact CD2-CD2 4.3Å; L77-Y82 HydrophobicContact CD2-CE1 4.38Å; L77-Y82 HydrophobicContact CD2-CG 3.98Å; L77-Y82 HydrophobicContact CG-CD1 4.18Å; L77-Y82 HydrophobicContact CG-CG 4.45Å; L77-Y82 WeakPolarHBondContact O-CB 3.16Å; L77-Y82 PolarHBondContact O-N 3.09Å; L77-L112 HydrophobicContact CD1-CD2 3.43Å; L77-L112 VanDerWaalsContact CD1-CD2 3.43Å |
| 78 | E | 70.9 | Confident | 67.5 | Low | 30 Ų | 30 | 41.5 Ų | 41.5 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -70.6 | -20.6 | -177.1 | -64.3 | 71.5 | -150.4 | 0 | 0 | 112.4 | P76 L80 G81 L115 L166 M169 W191 R195 | P76-E78 VanDerWaalsContact C-N 3.3Å; P76-E78 PolarHBondContact O-N 3.18Å; P76-E78 VanDerWaalsContact O-N 3.11Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.12Å; E78-G81 PolarHBondContact O-N 3.37Å; E78-L115 HydrophobicContact CG-CB 4.4Å; E78-L115 HydrophobicContact CG-CD1 4.33Å; E78-L166 HydrophobicContact CB-CD2 4.12Å; E78-L166 HydrophobicContact CG-CD2 4.15Å; E78-M169 VanDerWaalsContact C-SD 3.53Å; E78-M169 HydrophobicContact CB-CE 4.34Å; E78-M169 HydrophobicContact CB-SD 3.38Å; E78-M169 WeakPolarHBondContact CB-SD 3.3Å; E78-W191 HydrophobicContact CB-CZ2 4.18Å; E78-W191 HydrophobicContact CG-CZ2 4.25Å; E78-W191 PolarHBondContact OE2-NE1 3.13Å; E78-R195 IonicContact OE1-CZ 3.04Å; E78-R195 IonicContact OE1-NE 2.65Å; E78-R195 PolarHBondContact OE1-NE 2.82Å; E78-R195 IonicContact OE1-NH2 3.22Å; E78-R195 PolarHBondContact OE1-NH2 3.48Å; E78-R195 IonicContact OE2-NE 2.62Å; E78-R195 PolarHBondContact OE2-NE 3.19Å |
| 79 | H | 65.4 | Low | 67.7 | Low | 83 Ų | 83 | 41.5 Ų | 41.5 | 38% | 0.384 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -68.1 | -30.8 | 170.6 | -173.5 | 57.7 | 0 | 0 | 0 | 112.2 | P76 L77 G81 M169 D170 | P76-H79 VanDerWaalsContact O-CB 3.3Å; P76-H79 WeakPolarHBondContact O-CB 3.43Å; P76-H79 PolarHBondContact O-N 3.13Å; L77-H79 PolarHBondContact O-N 3.34Å; H79-G81 PolarHBondContact O-N 3.18Å; H79-M169 HydrophobicContact CB-CB 4.05Å; H79-M169 HydrophobicContact CB-CE 3.91Å; H79-M169 HydrophobicContact CB-SD 4.28Å; H79-M169 PolarHBondContact N-SD 2.99Å; H79-D170 IonicContact CE1-OD1 3.83Å |
| 80 | L | 62.4 | Low | 68.1 | Low | 30 Ų | 30 | 40.4 Ų | 40.4 | 16% | 0.157 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -81.5 | -0.1 | 175.2 | -63.9 | 169.6 | 0 | 0 | 0 | 112.8 | C8 P70 V75 L77 E78 Y82 | C8-L80 VanDerWaalsContact O-CD1 3.28Å; C8-L80 WeakPolarHBondContact O-CD1 3.38Å; C8-L80 VanDerWaalsContact O-CD2 3.27Å; C8-L80 WeakPolarHBondContact O-CD2 3.38Å; P70-L80 HydrophobicContact CG-CD1 4.09Å; V75-L80 HydrophobicContact CB-CD1 4.08Å; V75-L80 HydrophobicContact CB-CG 4.49Å; V75-L80 HydrophobicContact CG1-CD1 3.78Å; V75-L80 HydrophobicContact CG1-CD2 3.9Å; V75-L80 HydrophobicContact CG1-CG 3.65Å; L77-L80 WeakPolarHBondContact O-CB 3.37Å; L77-L80 PolarHBondContact O-N 3.36Å; L77-L80 VanDerWaalsContact O-N 3.1Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.12Å; L80-Y82 PolarHBondContact O-N 2.92Å |
| 81 | G | 68.8 | Low | 68.8 | Low | 20 Ų | 20 | 45.1 Ų | 45.1 | 21% | 0.206 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 30.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E78 H79 A83 D84 L85 | E78-G81 PolarHBondContact O-N 3.37Å; H79-G81 PolarHBondContact O-N 3.18Å; G81-A83 PolarHBondContact O-N 3.1Å; G81-D84 PolarHBondContact O-N 3.13Å; G81-L85 PolarHBondContact O-N 3.38Å; G81-L85 VanDerWaalsContact O-N 3.14Å |
| 82 | Y | 72.9 | Confident | 69.6 | Low | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -51.7 | -35.5 | -166.9 | 179.5 | -119.8 | 0 | 0 | 0 | 114.6 | P68 R69 L77 L80 L85 F86 L114 E227 | P68-Y82 WeakPolarHBondContact O-CE2 3.42Å; R69-Y82 HydrophobicContact CB-CE2 4.25Å; R69-Y82 WeakPolarHBondContact CB-OH 3.39Å; R69-Y82 HydrophobicContact CG-CE2 4.34Å; L77-Y82 HydrophobicContact CB-CD1 3.95Å; L77-Y82 HydrophobicContact CB-CG 4.07Å; L77-Y82 HydrophobicContact CD1-CD1 3.91Å; L77-Y82 HydrophobicContact CD1-CE1 4.1Å; L77-Y82 HydrophobicContact CD2-CD1 4.03Å; L77-Y82 HydrophobicContact CD2-CD2 4.3Å; L77-Y82 HydrophobicContact CD2-CE1 4.38Å; L77-Y82 HydrophobicContact CD2-CG 3.98Å; L77-Y82 HydrophobicContact CG-CD1 4.18Å; L77-Y82 HydrophobicContact CG-CG 4.45Å; L77-Y82 WeakPolarHBondContact O-CB 3.16Å; L77-Y82 PolarHBondContact O-N 3.09Å; L80-Y82 PolarHBondContact O-N 2.92Å; Y82-L85 PolarHBondContact O-N 3.39Å; Y82-F86 HydrophobicContact CE2-CB 4.34Å; Y82-F86 HydrophobicContact CE2-CD2 4.23Å; Y82-F86 AromaticContact CZ-CD2 3.84Å; Y82-F86 WeakPolarHBondContact O-CB 3.23Å; Y82-F86 PolarHBondContact O-N 3.34Å; Y82-F86 WeakPolarHBondContact OH-CD2 3.45Å; Y82-L114 HydrophobicContact CD1-CD2 3.57Å; Y82-L114 HydrophobicContact CE1-CD2 3.49Å; Y82-L114 VanDerWaalsContact CE1-CD2 3.49Å; Y82-E227 HydrophobicContact CE1-CG 4.47Å; Y82-E227 PolarHBondContact OH-OE1 2.76Å |
| 83 | A | 72.3 | Confident | 70.5 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 12% | 0.116 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G81 R87 L114 | G81-A83 PolarHBondContact O-N 3.1Å; A83-R87 WeakPolarHBondContact O-CB 3.44Å; A83-R87 VanDerWaalsContact O-CG 3.23Å; A83-R87 WeakPolarHBondContact O-CG 3.29Å; A83-R87 PolarHBondContact O-N 2.81Å; A83-L114 HydrophobicContact CB-CB 4.08Å |
| 84 | D | 73.3 | Confident | 71.2 | Confident | 63 Ų | 63 | 35.3 Ų | 35.3 | 34% | 0.337 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -70.3 | -41.3 | 176.2 | -65.6 | -22.5 | 0 | 0 | 0 | 110.7 | G81 K88 K117 | G81-D84 PolarHBondContact O-N 3.13Å; D84-K88 WeakPolarHBondContact O-CG 3.33Å; D84-K88 PolarHBondContact O-N 2.9Å; D84-K117 WeakPolarHBondContact OD2-CD 3.47Å; D84-K117 WeakPolarHBondContact OD2-CE 3.37Å; D84-K117 IonicContact OD2-NZ 3.51Å; D84-K117 PolarHBondContact OD2-NZ 2.93Å |
| 85 | L | 71.3 | Confident | 71.8 | Confident | 18 Ų | 18 | 36.6 Ų | 36.6 | 9% | 0.094 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -49.7 | 178.7 | 178.6 | 61 | 0 | 0 | 0 | 111.1 | L7 G81 Y82 R87 K88 L89 | L7-L85 HydrophobicContact CD1-CD1 3.72Å; L7-L85 HydrophobicContact CG-CD1 4.12Å; G81-L85 PolarHBondContact O-N 3.38Å; G81-L85 VanDerWaalsContact O-N 3.14Å; Y82-L85 PolarHBondContact O-N 3.39Å; L85-R87 PolarHBondContact O-N 2.85Å; L85-K88 PolarHBondContact O-N 2.87Å; L85-L89 HydrophobicContact CD1-CD1 3.95Å; L85-L89 HydrophobicContact CD1-CG 4.03Å; L85-L89 HydrophobicContact CG-CD1 3.97Å; L85-L89 HydrophobicContact CG-CG 4.39Å; L85-L89 WeakPolarHBondContact O-CB 3.26Å; L85-L89 WeakPolarHBondContact O-CG 3.29Å; L85-L89 PolarHBondContact O-N 2.78Å |
| 86 | F | 77.5 | Confident | 72.2 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.022 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 178.8 | -173.8 | -85.2 | 0 | 0 | 0 | 111.7 | P68 Y82 L89 S90 L114 E227 H230 A231 | P68-F86 HydrophobicContact CB-CD2 3.83Å; P68-F86 HydrophobicContact CB-CE2 4.12Å; P68-F86 HydrophobicContact CG-CD2 3.86Å; P68-F86 HydrophobicContact CG-CE2 3.62Å; Y82-F86 HydrophobicContact CE2-CB 4.34Å; Y82-F86 HydrophobicContact CE2-CD2 4.23Å; Y82-F86 AromaticContact CZ-CD2 3.84Å; Y82-F86 WeakPolarHBondContact O-CB 3.23Å; Y82-F86 PolarHBondContact O-N 3.34Å; Y82-F86 WeakPolarHBondContact OH-CD2 3.45Å; F86-L89 PolarHBondContact O-N 3.44Å; F86-S90 WeakPolarHBondContact CE1-OG 3.31Å; F86-S90 WeakPolarHBondContact O-CB 3.5Å; F86-S90 PolarHBondContact O-N 2.96Å; F86-S90 PolarHBondContact O-OG 2.89Å; F86-L114 HydrophobicContact CB-CD1 4.21Å; F86-L114 HydrophobicContact CD1-CD1 3.78Å; F86-L114 HydrophobicContact CE1-CD1 4.45Å; F86-L114 HydrophobicContact CG-CD1 4.04Å; F86-E227 WeakPolarHBondContact CE1-O 3.39Å; F86-E227 HydrophobicContact CE2-CB 4.08Å; F86-E227 HydrophobicContact CE2-CG 4.18Å; F86-E227 HydrophobicContact CZ-CB 3.89Å; F86-E227 HydrophobicContact CZ-CG 4.4Å; F86-E227 WeakPolarHBondContact CZ-O 3.25Å; F86-H230 HydrophobicContact CE1-CB 4.33Å; F86-A231 HydrophobicContact CE1-CB 4.46Å; F86-A231 HydrophobicContact CZ-CB 4.25Å |
| 87 | R | 78 | Confident | 72.4 | Confident | 83 Ų | 83 | 37.8 Ų | 37.8 | 31% | 0.313 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.7 | -46 | 175.8 | -73.6 | 173.5 | 176.7 | -175.9 | 1.6 | 111.7 | A83 L85 S90 F91 L225 | A83-R87 WeakPolarHBondContact O-CB 3.44Å; A83-R87 VanDerWaalsContact O-CG 3.23Å; A83-R87 WeakPolarHBondContact O-CG 3.29Å; A83-R87 PolarHBondContact O-N 2.81Å; L85-R87 PolarHBondContact O-N 2.85Å; R87-S90 PolarHBondContact O-N 2.81Å; R87-F91 WeakPolarHBondContact O-CB 3.42Å; R87-F91 PolarHBondContact O-N 3Å; R87-L225 HydrophobicContact CG-CD2 4.24Å; R87-L225 VanDerWaalsContact NE-CD2 3.35Å |
| 88 | K | 76.1 | Confident | 72.7 | Confident | 98 Ų | 98 | 38.6 Ų | 38.6 | 43% | 0.426 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65.4 | -43.5 | 177 | -75.3 | -169.8 | 175 | -166.6 | 0 | 112.8 | P14 D15 D84 L85 F91 Q92 | P14-K88 HydrophobicContact CB-CD 3.48Å; P14-K88 VanDerWaalsContact CB-CD 3.48Å; P14-K88 HydrophobicContact CG-CD 4.05Å; D15-K88 IonicContact OD1-NZ 2.73Å; D84-K88 WeakPolarHBondContact O-CG 3.33Å; D84-K88 PolarHBondContact O-N 2.9Å; L85-K88 PolarHBondContact O-N 2.87Å; K88-F91 PolarHBondContact O-N 3.03Å; K88-Q92 WeakPolarHBondContact O-CB 3.3Å; K88-Q92 PolarHBondContact O-N 2.86Å |
| 89 | L | 76.3 | Confident | 72.9 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 177.2 | -68.7 | 178.6 | 0 | 0 | 0 | 112.1 | L7 L17 F28 I66 P68 L85 F86 Q92 Y93 | L7-L89 HydrophobicContact CD2-CD1 4.24Å; L7-L89 HydrophobicContact CD2-CD2 4.03Å; L17-L89 HydrophobicContact CD1-CD2 4.08Å; L17-L89 HydrophobicContact CD2-CD2 3.9Å; F28-L89 HydrophobicContact CE2-CB 4Å; I66-L89 HydrophobicContact CG2-CD1 4.41Å; I66-L89 HydrophobicContact CG2-CD2 4.49Å; P68-L89 HydrophobicContact CB-CD1 3.99Å; L85-L89 HydrophobicContact CD1-CD1 3.95Å; L85-L89 HydrophobicContact CD1-CG 4.03Å; L85-L89 HydrophobicContact CG-CD1 3.97Å; L85-L89 HydrophobicContact CG-CG 4.39Å; L85-L89 WeakPolarHBondContact O-CB 3.26Å; L85-L89 WeakPolarHBondContact O-CG 3.29Å; L85-L89 PolarHBondContact O-N 2.78Å; F86-L89 PolarHBondContact O-N 3.44Å; L89-Q92 PolarHBondContact O-N 2.83Å; L89-Y93 HydrophobicContact CD2-CD2 3.92Å; L89-Y93 HydrophobicContact CD2-CE2 3.69Å; L89-Y93 WeakPolarHBondContact O-CB 3.34Å; L89-Y93 WeakPolarHBondContact O-CD2 3.37Å; L89-Y93 PolarHBondContact O-N 2.79Å |
| 90 | S | 77.4 | Confident | 73.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.9 | -48 | 174.7 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | F28 F86 R87 Q92 Y93 C94 | F28-S90 WeakPolarHBondContact CZ-OG 3.41Å; F86-S90 WeakPolarHBondContact CE1-OG 3.31Å; F86-S90 WeakPolarHBondContact O-CB 3.5Å; F86-S90 PolarHBondContact O-N 2.96Å; F86-S90 PolarHBondContact O-OG 2.89Å; R87-S90 PolarHBondContact O-N 2.81Å; S90-Q92 VanDerWaalsContact C-N 3.28Å; S90-Q92 PolarHBondContact O-N 2.95Å; S90-Y93 PolarHBondContact O-N 2.72Å; S90-C94 WeakPolarHBondContact O-CA 3.36Å; S90-C94 WeakPolarHBondContact O-CB 3.38Å; S90-C94 PolarHBondContact O-N 2.68Å |
| 91 | F | 75.6 | Confident | 74.5 | Confident | 117 Ų | 117 | 33.3 Ų | 33.3 | 51% | 0.513 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63 | -31.4 | 178.3 | -173.6 | -97.9 | 0 | 0 | 0 | 113.8 | R87 K88 R95 L234 | R87-F91 WeakPolarHBondContact O-CB 3.42Å; R87-F91 PolarHBondContact O-N 3Å; K88-F91 PolarHBondContact O-N 3.03Å; F91-R95 PolarHBondContact O-NE 3.2Å; F91-R95 PolarHBondContact O-NH2 3.49Å; F91-L234 HydrophobicContact CD2-CD2 4.38Å |
| 92 | Q | 73.8 | Confident | 75.1 | Confident | 40 Ų | 40 | 32.4 Ų | 32.4 | 19% | 0.187 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -83.9 | -39.4 | 179.6 | -172.5 | 174 | 2.4 | 0 | 0 | 113.2 | P18 I20 K88 L89 S90 R95 | P18-Q92 PolarHBondContact O-NE2 3Å; I20-Q92 HydrophobicContact CD1-CG 4.16Å; I20-Q92 WeakPolarHBondContact CD1-O 3.48Å; I20-Q92 HydrophobicContact CG1-CG 4.35Å; K88-Q92 WeakPolarHBondContact O-CB 3.3Å; K88-Q92 PolarHBondContact O-N 2.86Å; L89-Q92 PolarHBondContact O-N 2.83Å; S90-Q92 VanDerWaalsContact C-N 3.28Å; S90-Q92 PolarHBondContact O-N 2.95Å; Q92-R95 PolarHBondContact O-NE 2.85Å |
| 93 | Y | 77.3 | Confident | 75.7 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -125.2 | -14.5 | -166.9 | -54.5 | -77.2 | 0 | 0 | 0 | 115.4 | P18 I20 Y26 F28 I66 L89 S90 R95 | P18-Y93 PolarHBondContact O-OH 3.06Å; P18-Y93 VanDerWaalsContact O-OH 3.1Å; I20-Y93 HydrophobicContact CG1-CE1 4.17Å; Y26-Y93 AromaticContact CD1-CD1 3.81Å; Y26-Y93 HydrophobicContact CD1-CD1 3.81Å; Y26-Y93 AromaticContact CD1-CE1 3.57Å; Y26-Y93 HydrophobicContact CD1-CE1 3.57Å; Y26-Y93 HydrophobicContact CE1-CD1 4.42Å; Y26-Y93 AromaticContact CE1-CE1 3.73Å; Y26-Y93 HydrophobicContact CE1-CE1 3.73Å; Y26-Y93 AromaticContact CG-CD1 3.97Å; Y26-Y93 HydrophobicContact CG-CD1 3.97Å; Y26-Y93 HydrophobicContact CG-CE1 4.1Å; F28-Y93 WeakPolarHBondContact CB-O 3.42Å; I66-Y93 HydrophobicContact CD1-CD1 3.41Å; I66-Y93 VanDerWaalsContact CD1-CD1 3.41Å; I66-Y93 HydrophobicContact CD1-CD2 3.44Å; I66-Y93 VanDerWaalsContact CD1-CD2 3.44Å; I66-Y93 HydrophobicContact CD1-CE1 3.51Å; I66-Y93 HydrophobicContact CD1-CE2 3.57Å; I66-Y93 HydrophobicContact CD1-CG 3.34Å; L89-Y93 HydrophobicContact CD2-CD2 3.92Å; L89-Y93 HydrophobicContact CD2-CE2 3.69Å; L89-Y93 WeakPolarHBondContact O-CB 3.34Å; L89-Y93 WeakPolarHBondContact O-CD2 3.37Å; L89-Y93 PolarHBondContact O-N 2.79Å; S90-Y93 PolarHBondContact O-N 2.72Å; Y93-R95 PolarHBondContact O-N 2.83Å |
| 94 | C | 73.4 | Confident | 76.2 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | trans | -81.5 | 56.8 | 172 | -158.9 | 0 | 0 | 0 | 0 | 110.5 | F28 S90 L235 | F28-C94 HydrophobicContact CD1-CB 3.44Å; F28-C94 VanDerWaalsContact CD1-CB 3.44Å; F28-C94 VanDerWaalsContact CD1-SG 3.53Å; F28-C94 HydrophobicContact CE1-CB 3.63Å; F28-C94 HydrophobicContact CG-CB 4.11Å; F28-C94 HydrophobicContact CZ-CB 4.43Å; S90-C94 WeakPolarHBondContact O-CA 3.36Å; S90-C94 WeakPolarHBondContact O-CB 3.38Å; S90-C94 PolarHBondContact O-N 2.68Å; C94-L235 VanDerWaalsContact SG-CD2 3.55Å; C94-L235 VanDerWaalsContact SG-CG 3.52Å | ||
| 95 | R | 70.8 | Confident | 76.8 | Confident | 93 Ų | 93 | 28.7 Ų | 28.7 | 35% | 0.351 | 13% | 0.129 | S | C | . | . | trans | -121.6 | 141.5 | 179.2 | -59.5 | 177.1 | -178.8 | -147.8 | -5.1 | 108 | F91 Q92 Y93 D97 C100 | F91-R95 PolarHBondContact O-NE 3.2Å; F91-R95 PolarHBondContact O-NH2 3.49Å; Q92-R95 PolarHBondContact O-NE 2.85Å; Y93-R95 PolarHBondContact O-N 2.83Å; R95-D97 VanDerWaalsContact CB-OD2 3.29Å; R95-D97 WeakPolarHBondContact CB-OD2 3.47Å; R95-D97 PolarHBondContact O-N 2.9Å; R95-C100 HydrophobicContact CB-CB 3.96Å; R95-C100 CarbonylContact O-C 3.59Å; R95-C100 WeakPolarHBondContact O-CB 3.4Å | ||
| 96 | N | 68.9 | Low | 77.3 | Confident | 39 Ų | 39 | 28 Ų | 28 | 21% | 0.209 | 13% | 0.125 | C | C | . | . | trans | -99.1 | 74.1 | 173.3 | -164.9 | 57.9 | 0 | 0 | 0 | 109.8 | P102 F260 S261 R383 | N96-P102 HydrophobicContact CB-CG 4.27Å; N96-P102 VanDerWaalsContact OD1-CD 3.31Å; N96-P102 WeakPolarHBondContact OD1-CD 3.39Å; N96-F260 PolarHBondContact ND2-O 3.07Å; N96-S261 PolarHBondContact ND2-O 2.74Å; N96-S261 PolarHBondContact OD1-O 3.42Å; N96-R383 PolarHBondContact OD1-NH2 2.84Å | ||
| 97 | D | 70.2 | Confident | 77.3 | Confident | 38 Ų | 38 | 28.3 Ų | 28.3 | 20% | 0.203 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -127.3 | -176.9 | -175 | 71.4 | 48.4 | 0 | 0 | 0 | 112.3 | R95 N99 C100 R383 | R95-D97 VanDerWaalsContact CB-OD2 3.29Å; R95-D97 WeakPolarHBondContact CB-OD2 3.47Å; R95-D97 PolarHBondContact O-N 2.9Å; D97-N99 PolarHBondContact O-N 2.87Å; D97-N99 VanDerWaalsContact O-N 3.16Å; D97-N99 WeakPolarHBondContact OD1-CA 3.04Å; D97-N99 PolarHBondContact OD1-N 2.63Å; D97-C100 PolarHBondContact N-O 3Å; D97-C100 PolarHBondContact O-N 3.1Å; D97-C100 PolarHBondContact OD1-N 3.28Å; D97-R383 PolarHBondContact O-NE 3.01Å; D97-R383 PolarHBondContact O-NH2 3.37Å |
| 98 | L | 73.5 | Confident | 77 | Confident | 33 Ų | 33 | 25.7 Ų | 25.7 | 17% | 0.173 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -51.6 | -34.4 | 178.4 | -171.8 | 73.3 | 0 | 0 | 0 | 114.1 | F260 A386 K387 L390 | L98-F260 HydrophobicContact CB-CD1 4.5Å; L98-F260 HydrophobicContact CB-CE1 3.89Å; L98-F260 HydrophobicContact CB-CZ 4.01Å; L98-F260 HydrophobicContact CD1-CD1 4.48Å; L98-F260 HydrophobicContact CD1-CE1 3.63Å; L98-F260 HydrophobicContact CD1-CZ 4.25Å; L98-F260 HydrophobicContact CG-CE1 4.39Å; L98-A386 HydrophobicContact CD1-CB 3.67Å; L98-K387 HydrophobicContact CD1-CB 4.43Å; L98-K387 HydrophobicContact CD1-CG 3.64Å; L98-K387 HydrophobicContact CD2-CG 3.91Å; L98-K387 HydrophobicContact CG-CD 4.45Å; L98-K387 HydrophobicContact CG-CG 3.61Å; L98-K387 WeakPolarHBondContact O-CE 3.37Å; L98-L390 HydrophobicContact CD1-CD1 3.69Å; L98-L390 HydrophobicContact CD2-CD1 3.54Å; L98-L390 HydrophobicContact CG-CD1 4.22Å |
| 99 | N | 76.2 | Confident | 76.7 | Confident | 31 Ų | 31 | 21.5 Ų | 21.5 | 17% | 0.166 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -104 | -27.2 | -175.6 | -56.3 | -67.5 | 0 | 0 | 0 | 112.8 | I20 I25 Y26 D97 K387 | I20-N99 HydrophobicContact CG2-CB 3.58Å; I25-N99 CarbonylContact C-O 3.54Å; I25-N99 WeakPolarHBondContact CA-O 3.26Å; Y26-N99 PolarHBondContact N-O 3.21Å; D97-N99 PolarHBondContact O-N 2.87Å; D97-N99 VanDerWaalsContact O-N 3.16Å; D97-N99 WeakPolarHBondContact OD1-CA 3.04Å; D97-N99 PolarHBondContact OD1-N 2.63Å; N99-K387 VanDerWaalsContact OD1-CE 3.25Å; N99-K387 WeakPolarHBondContact OD1-CE 3.44Å; N99-K387 PolarHBondContact OD1-NZ 2.89Å |
| 100 | C | 77.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.4 | -174.4 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | Y26 R95 D97 R383 | Y26-C100 CarbonylContact O-C 3.35Å; Y26-C100 WeakPolarHBondContact O-CA 3.14Å; R95-C100 HydrophobicContact CB-CB 3.96Å; R95-C100 CarbonylContact O-C 3.59Å; R95-C100 WeakPolarHBondContact O-CB 3.4Å; D97-C100 PolarHBondContact N-O 3Å; D97-C100 PolarHBondContact O-N 3.1Å; D97-C100 PolarHBondContact OD1-N 3.28Å; C100-R383 PolarHBondContact O-NE 3.06Å; C100-R383 VanDerWaalsContact O-NE 3.11Å; C100-R383 PolarHBondContact O-NH2 2.76Å |
| 101 | S | 82.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 118.4 | 176.1 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | Y26 F27 F28 R383 | Y26-S101 PolarHBondContact O-N 2.79Å; F27-S101 CarbonylContact C-O 3.58Å; F27-S101 VanDerWaalsContact CA-O 3.29Å; F27-S101 WeakPolarHBondContact CA-O 3.23Å; F27-S101 WeakPolarHBondContact CE1-OG 3.48Å; F28-S101 PolarHBondContact N-O 2.91Å; S101-R383 PolarHBondContact OG-NH1 2.93Å; S101-R383 VanDerWaalsContact OG-NH1 3.13Å |
| 102 | P | 81.6 | Confident | 75.4 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 150.3 | 169.8 | 33.2 | -36.3 | 0 | 0 | 0 | 111.6 | F28 N96 L235 P263 I264 | F28-P102 WeakPolarHBondContact O-CA 3.38Å; N96-P102 HydrophobicContact CB-CG 4.27Å; N96-P102 VanDerWaalsContact OD1-CD 3.31Å; N96-P102 WeakPolarHBondContact OD1-CD 3.39Å; P102-L235 HydrophobicContact CB-CD1 3.66Å; P102-L235 HydrophobicContact CB-CD2 3.68Å; P102-L235 HydrophobicContact CB-CG 4.31Å; P102-L235 HydrophobicContact CG-CD1 4.14Å; P102-L235 HydrophobicContact CG-CD2 3.69Å; P102-P263 HydrophobicContact CG-CB 3.8Å; P102-I264 PolarHBondContact O-N 3.04Å |
| 103 | I | 85.7 | Confident | 75.3 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.6 | 171.2 | -67.7 | 164.3 | 0 | 0 | 0 | 106.6 | F27 F28 I29 C30 F65 L105 I264 F372 | F27-I103 HydrophobicContact CB-CD1 3.8Å; F27-I103 HydrophobicContact CD1-CD1 3.71Å; F27-I103 HydrophobicContact CD1-CG1 3.98Å; F27-I103 HydrophobicContact CG-CD1 4.04Å; F28-I103 PolarHBondContact O-N 3.38Å; I29-I103 HydrophobicContact CG1-CB 4.21Å; I29-I103 HydrophobicContact CG1-CD1 3.92Å; I29-I103 HydrophobicContact CG1-CG2 4.39Å; C30-I103 WeakPolarHBondContact CA-O 3.34Å; C30-I103 VanDerWaalsContact CB-O 3.31Å; C30-I103 WeakPolarHBondContact CB-O 2.89Å; C30-I103 PolarHBondContact N-O 2.69Å; F65-I103 HydrophobicContact CD1-CD1 4.34Å; F65-I103 HydrophobicContact CE1-CD1 4.07Å; I103-L105 HydrophobicContact CG2-CD2 3.81Å; I103-L105 HydrophobicContact CG2-CG 4.3Å; I103-I264 CarbonylContact C-O 3.6Å; I103-I264 WeakPolarHBondContact CA-O 3.17Å; I103-I264 HydrophobicContact CG1-CB 4.19Å; I103-I264 HydrophobicContact CG1-CD1 4.19Å; I103-F372 HydrophobicContact CD1-CE2 3.84Å; I103-F372 HydrophobicContact CD1-CZ 3.72Å; I103-F372 HydrophobicContact CG1-CE2 4.45Å; I103-F372 HydrophobicContact CG2-CE2 3.84Å |
| 104 | I | 83.6 | Confident | 75.1 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 113.4 | -178.2 | -49.4 | -178.2 | 0 | 0 | 0 | 108.4 | C30 L106 F228 L235 P263 I264 V265 L266 L330 | C30-I104 HydrophobicContact CB-CG1 4.49Å; C30-I104 WeakPolarHBondContact O-CA 3.2Å; I104-L106 HydrophobicContact CG2-CD2 4.29Å; I104-L106 HydrophobicContact CG2-CG 4.2Å; I104-F228 HydrophobicContact CG2-CE2 3.82Å; I104-F228 HydrophobicContact CG2-CZ 3.8Å; I104-L235 HydrophobicContact CD1-CD1 3.85Å; I104-L235 HydrophobicContact CG1-CD1 4.14Å; I104-P263 HydrophobicContact CD1-CB 3.94Å; I104-P263 HydrophobicContact CD1-CG 4.33Å; I104-P263 HydrophobicContact CG1-CB 4.34Å; I104-I264 PolarHBondContact N-O 3.12Å; I104-V265 HydrophobicContact CB-CG1 4.48Å; I104-V265 HydrophobicContact CB-CG2 4.34Å; I104-V265 HydrophobicContact CD1-CG2 4.27Å; I104-V265 WeakPolarHBondContact O-CA 3.31Å; I104-L266 PolarHBondContact O-N 3.22Å; I104-L330 HydrophobicContact CD1-CD1 4.32Å; I104-L330 HydrophobicContact CD1-CD2 3.72Å; I104-L330 HydrophobicContact CG2-CD1 4.08Å |
| 105 | L | 85.5 | Confident | 75.3 | Confident | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 110.4 | 172.2 | -40.5 | 176.1 | 0 | 0 | 0 | 109 | C30 F36 R40 I103 L266 F368 | C30-L105 PolarHBondContact O-N 2.98Å; F36-L105 HydrophobicContact CB-CD1 3.97Å; F36-L105 HydrophobicContact CD1-CB 3.94Å; F36-L105 HydrophobicContact CD1-CD1 3.91Å; F36-L105 HydrophobicContact CD2-CB 3.79Å; F36-L105 HydrophobicContact CD2-CD1 4.47Å; F36-L105 HydrophobicContact CE1-CB 3.85Å; F36-L105 HydrophobicContact CE2-CB 3.68Å; F36-L105 VanDerWaalsContact CE2-O 3.31Å; F36-L105 WeakPolarHBondContact CE2-O 3.47Å; F36-L105 HydrophobicContact CG-CB 3.91Å; F36-L105 HydrophobicContact CG-CD1 3.86Å; F36-L105 HydrophobicContact CZ-CB 3.72Å; R40-L105 HydrophobicContact CG-CD1 4.38Å; I103-L105 HydrophobicContact CG2-CD2 3.81Å; I103-L105 HydrophobicContact CG2-CG 4.3Å; L105-L266 WeakPolarHBondContact CA-O 3.45Å; L105-L266 HydrophobicContact CD2-CB 4.11Å; L105-L266 HydrophobicContact CD2-CD1 4.18Å; L105-F368 HydrophobicContact CD1-CZ 4.06Å; L105-F368 HydrophobicContact CD2-CE2 4.12Å; L105-F368 HydrophobicContact CD2-CZ 4.03Å |
| 106 | L | 81.4 | Confident | 75.7 | Confident | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.3 | -178.3 | -70.4 | 169.5 | 0 | 0 | 0 | 110.3 | F36 I104 F228 V265 L266 Q267 R268 T327 L330 F341 | F36-L106 WeakPolarHBondContact CZ-O 3.48Å; I104-L106 HydrophobicContact CG2-CD2 4.29Å; I104-L106 HydrophobicContact CG2-CG 4.2Å; L106-F228 HydrophobicContact CD2-CE1 4.06Å; L106-F228 HydrophobicContact CD2-CZ 3.6Å; L106-V265 HydrophobicContact CD1-CG1 3.71Å; L106-V265 HydrophobicContact CG-CG1 4.35Å; L106-L266 PolarHBondContact N-O 3.42Å; L106-Q267 HydrophobicContact CB-CB 4.05Å; L106-Q267 HydrophobicContact CB-CG 3.97Å; L106-Q267 HydrophobicContact CD1-CB 4.45Å; L106-Q267 CarbonylContact O-C 3.58Å; L106-Q267 WeakPolarHBondContact O-CA 3.43Å; L106-R268 PolarHBondContact O-N 2.85Å; L106-T327 HydrophobicContact CD1-CG2 4.35Å; L106-L330 HydrophobicContact CD1-CD1 3.96Å; L106-L330 HydrophobicContact CD2-CD1 3.93Å; L106-L330 HydrophobicContact CG-CD1 4.32Å; L106-F341 HydrophobicContact CD1-CZ 4.36Å |
| 107 | G | 77 | Confident | 76.1 | Confident | 12 Ų | 12 | 16.2 Ų | 16.2 | 12% | 0.124 | 8% | 0.083 | C | C | . | . | trans | -116.1 | -138.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 108 | Q | 72.1 | Confident | 76.7 | Confident | 29 Ų | 29 | 21 Ų | 21 | 14% | 0.136 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -104.5 | -18 | 177 | -72.8 | 59 | 71.7 | 0 | 0 | 111.8 | D35 R268 I270 Y276 | D35-Q108 PolarHBondContact OD2-N 3.18Å; Q108-R268 PolarHBondContact NE2-O 3.46Å; Q108-R268 VanDerWaalsContact OE1-NE 3.08Å; Q108-I270 HydrophobicContact CG-CD1 3.85Å; Q108-I270 HydrophobicContact CG-CG1 4.27Å; Q108-Y276 HydrophobicContact CB-CE1 4.49Å; Q108-Y276 HydrophobicContact CG-CE1 4.27Å |
| 109 | K | 70 | Confident | 77.3 | Confident | 9 Ų | 9 | 19.8 Ų | 19.8 | 4% | 0.039 | 9% | 0.092 | C | C | . | . | trans | -106.7 | 153.3 | -173.7 | -65.9 | -174.3 | -179 | 79.1 | 0 | 114 | A32 T34 D35 G111 Y286 D288 | A32-K109 HydrophobicContact CB-CB 3.74Å; T34-K109 PolarHBondContact O-NZ 3.29Å; T34-K109 WeakPolarHBondContact OG1-CD 3.41Å; T34-K109 WeakPolarHBondContact OG1-CE 3.4Å; D35-K109 WeakPolarHBondContact OD1-CG 3.18Å; D35-K109 IonicContact OD1-NZ 3.77Å; D35-K109 PolarHBondContact OD1-NZ 3.48Å; D35-K109 WeakPolarHBondContact OD2-CB 3.36Å; D35-K109 WeakPolarHBondContact OD2-CG 3.41Å; D35-K109 PolarHBondContact OD2-N 2.86Å; K109-G111 VanDerWaalsContact C-N 3.32Å; K109-Y286 HydrophobicContact CD-CD1 4.48Å; K109-Y286 VanDerWaalsContact NZ-CD1 3.29Å; K109-D288 WeakPolarHBondContact CA-OD2 3.25Å; K109-D288 WeakPolarHBondContact CB-OD2 3.22Å; K109-D288 VanDerWaalsContact CG-OD2 3.25Å; K109-D288 WeakPolarHBondContact CG-OD2 3.42Å | ||
| 110 | Y | 67.5 | Low | 77.7 | Confident | 34 Ų | 34 | 19.3 Ų | 19.3 | 13% | 0.133 | 9% | 0.091 | C | C | . | . | trans | -88.8 | 6.7 | 174.5 | -155.8 | -111.8 | 0 | 0 | 0 | 114.2 | T226 F228 D288 L319 N322 L323 | Y110-T226 HydrophobicContact CD1-CG2 3.97Å; Y110-T226 HydrophobicContact CE1-CG2 4.43Å; Y110-T226 WeakPolarHBondContact O-CB 3.47Å; Y110-T226 PolarHBondContact O-OG1 2.96Å; Y110-F228 WeakPolarHBondContact O-CB 3.33Å; Y110-D288 WeakPolarHBondContact CB-OD1 3.45Å; Y110-D288 PolarHBondContact N-OD1 2.91Å; Y110-D288 VanDerWaalsContact N-OD1 3.1Å; Y110-L319 HydrophobicContact CD1-CD2 3.98Å; Y110-L319 HydrophobicContact CG-CD2 4.37Å; Y110-N322 HydrophobicContact CD2-CB 4.46Å; Y110-N322 HydrophobicContact CE2-CB 3.78Å; Y110-L323 HydrophobicContact CD2-CB 4.23Å; Y110-L323 HydrophobicContact CD2-CD1 4.46Å | ||
| 111 | G | 67 | Low | 78.1 | Confident | 4 Ų | 4 | 20 Ų | 20 | 4% | 0.041 | 10% | 0.097 | C | C | . | . | trans | 92.2 | 170.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K109 | K109-G111 VanDerWaalsContact C-N 3.32Š| ||
| 112 | L | 67.8 | Low | 78.2 | Confident | 12 Ų | 12 | 25 Ų | 25 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | trans | -71 | 133.2 | 179.4 | -163 | 81.6 | 0 | 0 | 0 | 110.3 | L77 L114 R195 T226 E227 I287 | L77-L112 HydrophobicContact CD1-CD2 3.43Å; L77-L112 VanDerWaalsContact CD1-CD2 3.43Å; L112-L114 PolarHBondContact O-N 2.9Å; L112-R195 VanDerWaalsContact CD2-NH2 3.32Å; L112-T226 VanDerWaalsContact O-CA 3.29Å; L112-T226 WeakPolarHBondContact O-CA 3.43Å; L112-E227 VanDerWaalsContact CB-CD 3.43Å; L112-E227 HydrophobicContact CB-CG 4.03Å; L112-E227 WeakPolarHBondContact CB-OE2 3.5Å; L112-E227 PolarHBondContact N-OE2 3.21Å; L112-E227 PolarHBondContact O-N 2.67Å; L112-I287 HydrophobicContact CD1-CD1 3.99Å | ||
| 113 | P | 70.8 | Confident | 78.5 | Confident | 20 Ų | 20 | 26.1 Ų | 26.1 | 13% | 0.13 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -67.5 | 129.4 | 166.2 | 28 | -32.8 | 0 | 0 | 0 | 109.6 | R195 A199 I287 | P113-R195 PolarHBondContact O-NH2 3.35Å; P113-A199 HydrophobicContact CB-CB 4.01Å; P113-A199 HydrophobicContact CG-CB 3.57Å; P113-I287 VanDerWaalsContact CD-CD1 3.44Å; P113-I287 HydrophobicContact CG-CD1 3.85Å; P113-I287 HydrophobicContact CG-CG2 4.4Å |
| 114 | L | 73.8 | Confident | 78.6 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | trans | -92.6 | 114.1 | 176.6 | -60.6 | 178 | 0 | 0 | 0 | 108.2 | Y82 A83 F86 L112 L225 E227 | Y82-L114 HydrophobicContact CD1-CD2 3.57Å; Y82-L114 HydrophobicContact CE1-CD2 3.49Å; Y82-L114 VanDerWaalsContact CE1-CD2 3.49Å; A83-L114 HydrophobicContact CB-CB 4.08Å; F86-L114 HydrophobicContact CB-CD1 4.21Å; F86-L114 HydrophobicContact CD1-CD1 3.78Å; F86-L114 HydrophobicContact CE1-CD1 4.45Å; F86-L114 HydrophobicContact CG-CD1 4.04Å; L112-L114 PolarHBondContact O-N 2.9Å; L114-L225 WeakPolarHBondContact CB-O 3.41Å; L114-L225 HydrophobicContact CD1-CD2 4.03Å; L114-L225 PolarHBondContact N-O 3.41Å; L114-E227 HydrophobicContact CD2-CG 4.06Å; L114-E227 HydrophobicContact CG-CG 4.37Å | ||
| 115 | L | 77.7 | Confident | 78.8 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | trans | -60.9 | 128.2 | -178.2 | -69.5 | -176.9 | 0 | 0 | 0 | 110.4 | E78 K117 L166 W191 R195 I198 A199 L202 | E78-L115 HydrophobicContact CG-CB 4.4Å; E78-L115 HydrophobicContact CG-CD1 4.33Å; L115-K117 PolarHBondContact O-N 3.17Å; L115-K117 VanDerWaalsContact O-N 3.12Å; L115-L166 HydrophobicContact CB-CD2 4.49Å; L115-W191 HydrophobicContact CD1-CZ2 4.44Å; L115-R195 HydrophobicContact CD1-CG 3.87Å; L115-R195 HydrophobicContact CG-CG 4.46Å; L115-I198 HydrophobicContact CD1-CD1 4.47Å; L115-I198 HydrophobicContact CD1-CG2 4.34Å; L115-I198 HydrophobicContact CD2-CB 4.22Å; L115-I198 HydrophobicContact CD2-CG2 3.72Å; L115-A199 HydrophobicContact CD2-CB 4.05Å; L115-L202 HydrophobicContact CD2-CD1 4.16Å | ||
| 116 | P | 78.4 | Confident | 78.9 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | trans | -67 | 113.1 | 179.1 | 27.4 | -34.7 | 0 | 0 | 0 | 109.5 | R118 I119 Y152 L202 L223 | P116-R118 PolarHBondContact O-N 3.26Å; P116-I119 HydrophobicContact CB-CG1 4.11Å; P116-I119 HydrophobicContact CG-CD1 3.89Å; P116-I119 HydrophobicContact CG-CG1 3.81Å; P116-Y152 WeakPolarHBondContact O-CE1 3.26Å; P116-Y152 PolarHBondContact O-OH 3.05Å; P116-Y152 VanDerWaalsContact O-OH 3.05Å; P116-L202 HydrophobicContact CG-CD1 3.84Å; P116-L223 HydrophobicContact CG-CD2 4.3Å | ||
| 117 | K | 78.7 | Confident | 79.1 | Confident | 96 Ų | 96 | 31.7 Ų | 31.7 | 42% | 0.417 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -56.8 | -26 | -179.2 | -175.2 | 170.5 | 179.8 | 169.5 | 0 | 113.5 | D84 L115 N165 L166 | D84-K117 WeakPolarHBondContact OD2-CD 3.47Å; D84-K117 WeakPolarHBondContact OD2-CE 3.37Å; D84-K117 IonicContact OD2-NZ 3.51Å; D84-K117 PolarHBondContact OD2-NZ 2.93Å; L115-K117 PolarHBondContact O-N 3.17Å; L115-K117 VanDerWaalsContact O-N 3.12Å; K117-N165 WeakPolarHBondContact O-CA 3.42Å; K117-L166 PolarHBondContact O-N 3.25Å |
| 118 | R | 81.6 | Confident | 79.5 | Confident | 140 Ų | 140 | 31.5 Ų | 31.5 | 53% | 0.528 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 144.9 | 176.3 | -38 | -163.6 | -168.2 | 166 | 2.9 | 110.3 | P116 E163 W164 N165 | P116-R118 PolarHBondContact O-N 3.26Å; R118-E163 HydrophobicContact CB-CB 4.4Å; R118-E163 WeakPolarHBondContact CD-OE2 3.31Å; R118-E163 IonicContact CZ-OE2 3.01Å; R118-E163 IonicContact NE-OE2 2.7Å; R118-E163 IonicContact NH1-OE2 2.67Å; R118-E163 PolarHBondContact NH1-OE2 2.96Å; R118-W164 CarbonylContact C-O 3.53Å; R118-W164 VanDerWaalsContact CA-O 3.31Å; R118-W164 WeakPolarHBondContact CA-O 3.38Å; R118-N165 VanDerWaalsContact CD-OD1 3.25Å; R118-N165 WeakPolarHBondContact CD-OD1 3.19Å; R118-N165 WeakPolarHBondContact CG-OD1 3.24Å |
| 119 | I | 85.5 | Confident | 80.1 | Confident | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.7 | 176.1 | -54.2 | 167.8 | 0 | 0 | 0 | 107.4 | P116 I123 F124 Y152 E163 W164 L202 L223 | P116-I119 HydrophobicContact CB-CG1 4.11Å; P116-I119 HydrophobicContact CG-CD1 3.89Å; P116-I119 HydrophobicContact CG-CG1 3.81Å; I119-I123 HydrophobicContact CG2-CB 3.87Å; I119-I123 HydrophobicContact CG2-CG2 3.71Å; I119-F124 HydrophobicContact CB-CB 4.44Å; I119-F124 HydrophobicContact CB-CD2 4.32Å; I119-F124 HydrophobicContact CD1-CD2 3.78Å; I119-F124 HydrophobicContact CD1-CE2 4.25Å; I119-F124 HydrophobicContact CG2-CB 3.95Å; I119-F124 HydrophobicContact CG2-CD2 4.37Å; I119-Y152 HydrophobicContact CD1-CD1 4.2Å; I119-Y152 HydrophobicContact CD1-CE1 3.64Å; I119-Y152 HydrophobicContact CG1-CE1 4.1Å; I119-E163 CarbonylContact O-C 3.48Å; I119-E163 WeakPolarHBondContact O-CA 3.37Å; I119-W164 PolarHBondContact N-O 2.81Å; I119-W164 PolarHBondContact O-N 2.87Å; I119-L202 HydrophobicContact CD1-CD2 4.23Å; I119-L223 HydrophobicContact CD1-CD2 4.2Å; I119-L223 HydrophobicContact CG1-CD2 4.18Å; I119-L223 HydrophobicContact CG2-CD2 4.02Å |
| 120 | S | 86 | Confident | 80.9 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 14% | 0.14 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 142 | 172.9 | 158.6 | 0 | 0 | 0 | 0 | 110.5 | N122 I123 F124 E161 | S120-N122 PolarHBondContact O-N 3.34Å; S120-N122 PolarHBondContact OG-N 3Å; S120-N122 VanDerWaalsContact OG-N 3.11Å; S120-I123 PolarHBondContact O-N 3.1Å; S120-I123 VanDerWaalsContact O-N 3.09Å; S120-F124 WeakPolarHBondContact O-CB 3.4Å; S120-F124 PolarHBondContact O-N 2.99Å; S120-E161 WeakPolarHBondContact CB-OE2 3.48Å; S120-E161 PolarHBondContact OG-OE2 3.49Å |
| 121 | A | 86.4 | Confident | 81.6 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 12% | 0.116 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.2 | -35 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F124 E125 L154 P162 | A121-F124 PolarHBondContact O-N 3.34Å; A121-E125 VanDerWaalsContact O-CB 3.24Å; A121-E125 WeakPolarHBondContact O-CB 3.5Å; A121-E125 VanDerWaalsContact O-CG 3.31Å; A121-E125 WeakPolarHBondContact O-CG 3.13Å; A121-E125 PolarHBondContact O-N 2.94Å; A121-L154 HydrophobicContact CB-CD1 4.22Å; A121-P162 HydrophobicContact CB-CG 3.88Å; A121-P162 WeakPolarHBondContact CB-O 3.42Å; A121-P162 PolarHBondContact N-O 3.29Å |
| 122 | N | 85 | Confident | 82.4 | Confident | 105 Ų | 105 | 43.1 Ų | 43.1 | 56% | 0.561 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -64.5 | -42.9 | 177.4 | -69.5 | -29.8 | 0 | 0 | 0 | 111.4 | S120 C126 E161 | S120-N122 PolarHBondContact O-N 3.34Å; S120-N122 PolarHBondContact OG-N 3Å; S120-N122 VanDerWaalsContact OG-N 3.11Å; N122-C126 VanDerWaalsContact O-CB 3.25Å; N122-C126 WeakPolarHBondContact O-CB 3.45Å; N122-C126 PolarHBondContact O-N 2.92Å; N122-C126 VanDerWaalsContact O-N 3.12Å; N122-E161 PolarHBondContact ND2-OE1 3.08Å; N122-E161 PolarHBondContact ND2-OE2 2.84Å |
| 123 | I | 87.2 | Confident | 83 | Confident | 26 Ų | 26 | 44.6 Ų | 44.6 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.1 | -45.8 | 177.5 | -61.2 | 170.6 | 0 | 0 | 0 | 110.8 | I119 S120 C126 I127 I215 D219 L223 | I119-I123 HydrophobicContact CG2-CB 3.87Å; I119-I123 HydrophobicContact CG2-CG2 3.71Å; S120-I123 PolarHBondContact O-N 3.1Å; S120-I123 VanDerWaalsContact O-N 3.09Å; I123-C126 WeakPolarHBondContact O-CB 3.37Å; I123-C126 PolarHBondContact O-N 3.33Å; I123-I127 HydrophobicContact CG2-CD1 4.05Å; I123-I127 WeakPolarHBondContact O-CG1 3.31Å; I123-I127 PolarHBondContact O-N 2.78Å; I123-I215 HydrophobicContact CG1-CG2 4.5Å; I123-I215 HydrophobicContact CG2-CG2 4.33Å; I123-D219 HydrophobicContact CD1-CB 3.94Å; I123-D219 WeakPolarHBondContact CD1-OD1 3.36Å; I123-L223 HydrophobicContact CG2-CD1 3.87Å; I123-L223 HydrophobicContact CG2-CD2 4.1Å; I123-L223 HydrophobicContact CG2-CG 4.33Å |
| 124 | F | 88.5 | Confident | 83.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67 | -46 | -177.6 | -167.4 | -90.6 | 0 | 0 | 0 | 112.1 | I119 S120 A121 C126 I127 I128 L148 T149 Y152 W164 | I119-F124 HydrophobicContact CB-CB 4.44Å; I119-F124 HydrophobicContact CB-CD2 4.32Å; I119-F124 HydrophobicContact CD1-CD2 3.78Å; I119-F124 HydrophobicContact CD1-CE2 4.25Å; I119-F124 HydrophobicContact CG2-CB 3.95Å; I119-F124 HydrophobicContact CG2-CD2 4.37Å; S120-F124 WeakPolarHBondContact O-CB 3.4Å; S120-F124 PolarHBondContact O-N 2.99Å; A121-F124 PolarHBondContact O-N 3.34Å; F124-C126 VanDerWaalsContact C-N 3.28Å; F124-C126 PolarHBondContact O-N 3.37Å; F124-I127 PolarHBondContact O-N 3.39Å; F124-I128 HydrophobicContact CD1-CG1 3.76Å; F124-I128 HydrophobicContact CE1-CD1 3.91Å; F124-I128 HydrophobicContact CE1-CG1 3.61Å; F124-I128 HydrophobicContact CZ-CD1 4.3Å; F124-I128 HydrophobicContact CZ-CG1 4.37Å; F124-I128 VanDerWaalsContact O-CG1 3.31Å; F124-I128 WeakPolarHBondContact O-CG1 3.46Å; F124-I128 PolarHBondContact O-N 3.34Å; F124-L148 HydrophobicContact CE2-CB 4.35Å; F124-L148 HydrophobicContact CE2-CD1 4.37Å; F124-L148 HydrophobicContact CZ-CB 3.8Å; F124-L148 HydrophobicContact CZ-CD1 4.39Å; F124-T149 HydrophobicContact CE1-CG2 4.49Å; F124-Y152 HydrophobicContact CE2-CD1 4.27Å; F124-Y152 AromaticContact CE2-CD2 3.88Å; F124-Y152 HydrophobicContact CE2-CD2 3.88Å; F124-Y152 AromaticContact CE2-CG 3.71Å; F124-Y152 HydrophobicContact CE2-CG 3.71Å; F124-Y152 HydrophobicContact CZ-CD2 4.39Å; F124-Y152 HydrophobicContact CZ-CG 4.22Å; F124-W164 HydrophobicContact CB-CB 4.31Å; F124-W164 VanDerWaalsContact CB-CD1 3.41Å; F124-W164 HydrophobicContact CB-CG 3.9Å; F124-W164 HydrophobicContact CD1-CB 4.41Å; F124-W164 AromaticContact CD1-CD1 3.6Å; F124-W164 AromaticContact CD1-CD2 3.45Å; F124-W164 HydrophobicContact CD1-CD2 3.45Å; F124-W164 VanDerWaalsContact CD1-CD2 3.45Å; F124-W164 AromaticContact CD1-CE2 3.35Å; F124-W164 HydrophobicContact CD1-CE3 4.09Å; F124-W164 AromaticContact CD1-CG 3.6Å; F124-W164 HydrophobicContact CD1-CG 3.6Å; F124-W164 AromaticContact CD1-CZ2 3.93Å; F124-W164 HydrophobicContact CD1-CZ2 3.93Å; F124-W164 AromaticContact CD1-NE1 3.41Å; F124-W164 HydrophobicContact CD2-CB 3.99Å; F124-W164 HydrophobicContact CD2-CD2 4.5Å; F124-W164 HydrophobicContact CD2-CG 4.05Å; F124-W164 AromaticContact CE1-CD2 3.53Å; F124-W164 HydrophobicContact CE1-CD2 3.53Å; F124-W164 AromaticContact CE1-CE2 3.67Å; F124-W164 AromaticContact CE1-CE3 3.66Å; F124-W164 HydrophobicContact CE1-CE3 3.66Å; F124-W164 HydrophobicContact CE1-CG 4.06Å; F124-W164 HydrophobicContact CE1-CH2 4.08Å; F124-W164 AromaticContact CE1-CZ2 3.95Å; F124-W164 HydrophobicContact CE1-CZ2 3.95Å; F124-W164 AromaticContact CE1-CZ3 3.94Å; F124-W164 HydrophobicContact CE1-CZ3 3.94Å; F124-W164 HydrophobicContact CE2-CB 4.38Å; F124-W164 HydrophobicContact CE2-CG 4.47Å; F124-W164 HydrophobicContact CG-CB 3.99Å; F124-W164 AromaticContact CG-CD1 3.55Å; F124-W164 AromaticContact CG-CD2 3.96Å; F124-W164 HydrophobicContact CG-CD2 3.96Å; F124-W164 AromaticContact CG-CG 3.58Å; F124-W164 HydrophobicContact CG-CG 3.58Å; F124-W164 AromaticContact CG-NE1 3.86Å; F124-W164 HydrophobicContact CZ-CD2 4.11Å; F124-W164 AromaticContact CZ-CE3 4Å; F124-W164 HydrophobicContact CZ-CE3 4Å; F124-W164 HydrophobicContact CZ-CG 4.47Å; F124-W164 HydrophobicContact CZ-CZ3 4.45Å |
| 125 | E | 87 | Confident | 83.5 | Confident | 94 Ų | 94 | 57.4 Ų | 57.4 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.2 | -34 | 174.6 | -70.4 | -63.6 | 160.1 | 0 | 0 | 111.5 | A121 I128 H129 W164 | A121-E125 VanDerWaalsContact O-CB 3.24Å; A121-E125 WeakPolarHBondContact O-CB 3.5Å; A121-E125 VanDerWaalsContact O-CG 3.31Å; A121-E125 WeakPolarHBondContact O-CG 3.13Å; A121-E125 PolarHBondContact O-N 2.94Å; E125-I128 PolarHBondContact O-N 3.26Å; E125-H129 WeakPolarHBondContact O-CB 3.34Å; E125-H129 PolarHBondContact O-N 3.24Å; E125-W164 WeakPolarHBondContact OE1-CZ2 3.3Å |
| 126 | C | 86.9 | Confident | 83 | Confident | 26 Ų | 26 | 59.4 Ų | 59.4 | 18% | 0.176 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 172.3 | -171.8 | 0 | 0 | 0 | 0 | 112.1 | N122 I123 F124 H129 R130 C209 L214 | N122-C126 VanDerWaalsContact O-CB 3.25Å; N122-C126 WeakPolarHBondContact O-CB 3.45Å; N122-C126 PolarHBondContact O-N 2.92Å; N122-C126 VanDerWaalsContact O-N 3.12Å; I123-C126 WeakPolarHBondContact O-CB 3.37Å; I123-C126 PolarHBondContact O-N 3.33Å; F124-C126 VanDerWaalsContact C-N 3.28Å; F124-C126 PolarHBondContact O-N 3.37Å; C126-H129 PolarHBondContact O-N 3.11Å; C126-R130 PolarHBondContact O-N 3.11Å; C126-C209 VanDerWaalsContact SG-SG 3.69Å; C126-L214 VanDerWaalsContact SG-CB 3.53Å |
| 127 | I | 85.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 174.8 | -69.1 | 165.9 | 0 | 0 | 0 | 110.6 | I123 F124 H129 R130 M131 L148 L202 I205 L223 | I123-I127 HydrophobicContact CG2-CD1 4.05Å; I123-I127 WeakPolarHBondContact O-CG1 3.31Å; I123-I127 PolarHBondContact O-N 2.78Å; F124-I127 PolarHBondContact O-N 3.39Å; I127-H129 VanDerWaalsContact C-N 3.32Å; I127-H129 PolarHBondContact O-N 2.8Å; I127-R130 PolarHBondContact O-N 2.92Å; I127-M131 HydrophobicContact CG2-CG 4.37Å; I127-M131 HydrophobicContact CG2-SD 4.1Å; I127-M131 WeakPolarHBondContact O-CB 3.45Å; I127-M131 VanDerWaalsContact O-CG 3.27Å; I127-M131 WeakPolarHBondContact O-CG 3.36Å; I127-M131 PolarHBondContact O-N 3.39Å; I127-L148 HydrophobicContact CG2-CD1 4.25Å; I127-L202 HydrophobicContact CD1-CD2 3.99Å; I127-I205 HydrophobicContact CB-CG2 4.3Å; I127-I205 HydrophobicContact CG1-CG2 4.46Å; I127-I205 HydrophobicContact CG2-CB 4.26Å; I127-I205 HydrophobicContact CG2-CG2 3.9Å; I127-L223 HydrophobicContact CD1-CD1 3.84Å; I127-L223 HydrophobicContact CD1-CD2 4.05Å |
| 128 | I | 86.8 | Confident | 82.3 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 177 | -69.1 | -69.2 | 0 | 0 | 0 | 111.5 | F124 E125 M131 R132 L148 | F124-I128 HydrophobicContact CD1-CG1 3.76Å; F124-I128 HydrophobicContact CE1-CD1 3.91Å; F124-I128 HydrophobicContact CE1-CG1 3.61Å; F124-I128 HydrophobicContact CZ-CD1 4.3Å; F124-I128 HydrophobicContact CZ-CG1 4.37Å; F124-I128 VanDerWaalsContact O-CG1 3.31Å; F124-I128 WeakPolarHBondContact O-CG1 3.46Å; F124-I128 PolarHBondContact O-N 3.34Å; E125-I128 PolarHBondContact O-N 3.26Å; I128-M131 HydrophobicContact CD1-SD 4.41Å; I128-R132 VanDerWaalsContact CG2-CZ 3.48Å; I128-R132 WeakPolarHBondContact O-CB 3.49Å; I128-R132 VanDerWaalsContact O-CG 3.3Å; I128-R132 WeakPolarHBondContact O-CG 3.45Å; I128-R132 PolarHBondContact O-N 3.33Å; I128-R132 VanDerWaalsContact O-N 3.11Å; I128-L148 HydrophobicContact CD1-CB 4.09Å; I128-L148 HydrophobicContact CD1-CD1 4.12Å; I128-L148 HydrophobicContact CD1-CG 4.41Å |
| 129 | H | 84.7 | Confident | 81.8 | Confident | 112 Ų | 112 | 56.1 Ų | 56.1 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 179 | -170.3 | 87.7 | 0 | 0 | 0 | 110.9 | E125 C126 I127 R132 Q133 | E125-H129 WeakPolarHBondContact O-CB 3.34Å; E125-H129 PolarHBondContact O-N 3.24Å; C126-H129 PolarHBondContact O-N 3.11Å; I127-H129 VanDerWaalsContact C-N 3.32Å; I127-H129 PolarHBondContact O-N 2.8Å; H129-R132 PolarHBondContact O-N 3Å; H129-Q133 PolarHBondContact CD2-NE2 2.76Å; H129-Q133 PolarHBondContact NE2-NE2 3.31Å; H129-Q133 WeakPolarHBondContact O-CG 3.28Å; H129-Q133 PolarHBondContact O-N 2.73Å; H129-Q133 VanDerWaalsContact O-N 3.13Å |
| 130 | R | 85.3 | Confident | 81.4 | Confident | 33 Ų | 33 | 58.2 Ų | 58.2 | 13% | 0.125 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 177.5 | -67 | -53.6 | -172.9 | 136.3 | 21.1 | 112.9 | C126 I127 R132 Q133 C136 N137 I205 L208 E212 L214 | C126-R130 PolarHBondContact O-N 3.11Å; I127-R130 PolarHBondContact O-N 2.92Å; R130-R132 PolarHBondContact O-N 3.16Å; R130-Q133 VanDerWaalsContact CD-OE1 3.24Å; R130-Q133 PolarHBondContact O-N 2.51Å; R130-Q133 VanDerWaalsContact O-N 3.1Å; R130-C136 PolarHBondContact NH1-SG 2.9Å; R130-N137 WeakPolarHBondContact O-CB 3.27Å; R130-I205 HydrophobicContact CB-CG2 4.09Å; R130-L208 HydrophobicContact CB-CD2 3.98Å; R130-L208 HydrophobicContact CG-CD2 4.27Å; R130-E212 IonicContact CZ-OE1 3.11Å; R130-E212 IonicContact CZ-OE2 3.07Å; R130-E212 IonicContact NE-OE2 3.11Å; R130-E212 PolarHBondContact NE-OE2 3.44Å; R130-E212 VanDerWaalsContact NH1-CD 3.32Å; R130-E212 IonicContact NH1-OE1 3.06Å; R130-E212 PolarHBondContact NH1-OE1 3.39Å; R130-E212 IonicContact NH1-OE2 2.71Å; R130-E212 PolarHBondContact NH1-OE2 3.01Å; R130-E212 IonicContact NH2-OE1 3.41Å; R130-E212 PolarHBondContact NH2-OE1 2.9Å; R130-E212 IonicContact NH2-OE2 2.92Å; R130-E212 PolarHBondContact NH2-OE2 2.98Å; R130-E212 VanDerWaalsContact NH2-OE2 3.09Å; R130-L214 HydrophobicContact CG-CD1 3.81Å |
| 131 | M | 83.5 | Confident | 80.8 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -50.9 | -45.6 | 168.4 | -78.7 | 178.1 | 75.8 | 0 | 0 | 111.6 | I127 I128 N137 L143 L148 I201 I205 | I127-M131 HydrophobicContact CG2-CG 4.37Å; I127-M131 HydrophobicContact CG2-SD 4.1Å; I127-M131 WeakPolarHBondContact O-CB 3.45Å; I127-M131 VanDerWaalsContact O-CG 3.27Å; I127-M131 WeakPolarHBondContact O-CG 3.36Å; I127-M131 PolarHBondContact O-N 3.39Å; I128-M131 HydrophobicContact CD1-SD 4.41Å; M131-N137 WeakPolarHBondContact CA-ND2 3.26Å; M131-N137 PolarHBondContact O-ND2 2.9Å; M131-L143 HydrophobicContact CE-CB 4.1Å; M131-L143 HydrophobicContact CE-CD1 4.29Å; M131-L143 HydrophobicContact CE-CD2 4.43Å; M131-L143 HydrophobicContact CG-CD1 4.21Å; M131-L148 HydrophobicContact CE-CD1 4.39Å; M131-L148 HydrophobicContact CE-CG 4.21Å; M131-L148 HydrophobicContact SD-CD1 3.62Å; M131-L148 HydrophobicContact SD-CG 4.07Å; M131-I201 HydrophobicContact CE-CD1 4.01Å; M131-I201 HydrophobicContact CE-CG1 4.45Å; M131-I201 HydrophobicContact CE-CG2 3.93Å; M131-I201 HydrophobicContact CG-CG2 4.27Å; M131-I201 HydrophobicContact SD-CG2 3.57Å; M131-I201 VanDerWaalsContact SD-CG2 3.57Å; M131-I205 HydrophobicContact CG-CD1 4.36Å; M131-I205 HydrophobicContact CG-CG1 3.88Å; M131-I205 HydrophobicContact CG-CG2 4.25Å |
| 132 | R | 82.3 | Confident | 79.9 | Confident | 165 Ų | 165 | 68.8 Ų | 68.8 | 62% | 0.623 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -80.4 | -7.5 | -178.3 | -68.3 | 171.5 | 177 | 167 | 1.6 | 114.6 | I128 H129 R130 K134 Y140 | I128-R132 VanDerWaalsContact CG2-CZ 3.48Å; I128-R132 WeakPolarHBondContact O-CB 3.49Å; I128-R132 VanDerWaalsContact O-CG 3.3Å; I128-R132 WeakPolarHBondContact O-CG 3.45Å; I128-R132 PolarHBondContact O-N 3.33Å; I128-R132 VanDerWaalsContact O-N 3.11Å; H129-R132 PolarHBondContact O-N 3Å; R130-R132 PolarHBondContact O-N 3.16Å; R132-K134 PolarHBondContact O-N 3.17Å; R132-Y140 VanDerWaalsContact O-CE2 3.29Å; R132-Y140 WeakPolarHBondContact O-CE2 3.4Å |
| 133 | Q | 81.1 | Confident | 79.3 | Confident | 43 Ų | 43 | 64.1 Ų | 64.1 | 20% | 0.201 | 31% | 0.311 | C | S | . | . | trans | -86.8 | 102.8 | 179.6 | -82.9 | -170.2 | 4.1 | 0 | 0 | 113.2 | H129 R130 T135 C136 N137 | H129-Q133 PolarHBondContact CD2-NE2 2.76Å; H129-Q133 PolarHBondContact NE2-NE2 3.31Å; H129-Q133 WeakPolarHBondContact O-CG 3.28Å; H129-Q133 PolarHBondContact O-N 2.73Å; H129-Q133 VanDerWaalsContact O-N 3.13Å; R130-Q133 VanDerWaalsContact CD-OE1 3.24Å; R130-Q133 PolarHBondContact O-N 2.51Å; R130-Q133 VanDerWaalsContact O-N 3.1Å; Q133-T135 PolarHBondContact O-N 2.88Å; Q133-T135 VanDerWaalsContact O-N 3.13Å; Q133-C136 PolarHBondContact O-N 2.92Å; Q133-C136 PolarHBondContact OE1-SG 3.33Å; Q133-C136 VanDerWaalsContact OE1-SG 3.36Å; Q133-N137 WeakPolarHBondContact O-CB 3.47Å; Q133-N137 PolarHBondContact O-N 2.91Å; Q133-N137 VanDerWaalsContact O-N 3.12Å | ||
| 134 | K | 78.6 | Confident | 78.7 | Confident | 164 Ų | 164 | 69.2 Ų | 69.2 | 71% | 0.713 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -27 | 175 | -177 | -179.8 | 174.1 | -172.1 | 0 | 115 | R132 Y140 | R132-K134 PolarHBondContact O-N 3.17Å; K134-Y140 HydrophobicContact CB-CD1 4.01Å; K134-Y140 HydrophobicContact CB-CD2 4.02Å; K134-Y140 HydrophobicContact CB-CE1 4.04Å; K134-Y140 HydrophobicContact CB-CE2 4.01Å; K134-Y140 HydrophobicContact CB-CG 4.03Å; K134-Y140 HydrophobicContact CD-CE1 4.34Å; K134-Y140 HydrophobicContact CG-CD1 3.96Å; K134-Y140 HydrophobicContact CG-CE1 4.06Å; K134-Y140 HydrophobicContact CG-CG 4.39Å |
| 135 | T | 76.2 | Confident | 77.8 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 79% | 0.785 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -28 | -174.9 | 44.7 | 0 | 0 | 0 | 0 | 114.4 | Q133 | Q133-T135 PolarHBondContact O-N 2.88Å; Q133-T135 VanDerWaalsContact O-N 3.13Å |
| 136 | C | 68.4 | Low | 77.1 | Confident | 46 Ų | 46 | 71.1 Ų | 71.1 | 31% | 0.311 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -25.5 | -169.7 | -52.4 | 0 | 0 | 0 | 0 | 113 | R130 Q133 P138 L208 | R130-C136 PolarHBondContact NH1-SG 2.9Å; Q133-C136 PolarHBondContact O-N 2.92Å; Q133-C136 PolarHBondContact OE1-SG 3.33Å; Q133-C136 VanDerWaalsContact OE1-SG 3.36Å; C136-P138 WeakPolarHBondContact O-CD 3.48Å; C136-L208 WeakPolarHBondContact O-CD1 3.45Å |
| 137 | N | 71.5 | Confident | 76.6 | Confident | 5 Ų | 5 | 73.7 Ų | 73.7 | 3% | 0.027 | 37% | 0.374 | C | S | . | . | trans | -92.4 | 110.4 | 177.8 | 174.1 | 15.9 | 0 | 0 | 0 | 111.3 | R130 M131 Q133 Y139 Y140 I205 | R130-N137 WeakPolarHBondContact O-CB 3.27Å; M131-N137 WeakPolarHBondContact CA-ND2 3.26Å; M131-N137 PolarHBondContact O-ND2 2.9Å; Q133-N137 WeakPolarHBondContact O-CB 3.47Å; Q133-N137 PolarHBondContact O-N 2.91Å; Q133-N137 VanDerWaalsContact O-N 3.12Å; N137-Y139 PolarHBondContact O-N 2.81Å; N137-Y139 WeakPolarHBondContact OD1-CA 3.39Å; N137-Y139 WeakPolarHBondContact OD1-CB 3.4Å; N137-Y139 PolarHBondContact OD1-N 2.9Å; N137-Y140 WeakPolarHBondContact ND2-CA 3.2Å; N137-Y140 PolarHBondContact ND2-N 2.65Å; N137-Y140 VanDerWaalsContact O-CB 3.31Å; N137-Y140 WeakPolarHBondContact O-CB 3.25Å; N137-Y140 PolarHBondContact O-N 3.1Å; N137-Y140 VanDerWaalsContact O-N 3.13Å; N137-I205 WeakPolarHBondContact OD1-CD1 3.44Å | ||
| 138 | P | 71.1 | Confident | 76.4 | Confident | 100 Ų | 100 | 73.8 Ų | 73.8 | 65% | 0.649 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.3 | 178 | 27.3 | -34.1 | 0 | 0 | 0 | 112.8 | C136 | C136-P138 WeakPolarHBondContact O-CD 3.48Š|
| 139 | Y | 70.6 | Confident | 76 | Confident | 71 Ų | 71 | 76.1 Ų | 76.1 | 28% | 0.278 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 6.5 | 179.6 | -48.3 | -69.1 | 0 | 0 | 0 | 113.6 | N137 K141 V142 L143 W200 H204 L293 | N137-Y139 PolarHBondContact O-N 2.81Å; N137-Y139 WeakPolarHBondContact OD1-CA 3.39Å; N137-Y139 WeakPolarHBondContact OD1-CB 3.4Å; N137-Y139 PolarHBondContact OD1-N 2.9Å; Y139-K141 VanDerWaalsContact C-N 3.26Å; Y139-K141 PolarHBondContact O-N 2.95Å; Y139-K141 VanDerWaalsContact O-N 3.1Å; Y139-V142 PolarHBondContact O-N 2.87Å; Y139-L143 PolarHBondContact O-N 2.86Å; Y139-W200 AromaticContact CD1-CH2 3.46Å; Y139-W200 HydrophobicContact CD1-CH2 3.46Å; Y139-W200 VanDerWaalsContact CD1-CH2 3.46Å; Y139-W200 AromaticContact CD1-CZ2 3.83Å; Y139-W200 HydrophobicContact CD1-CZ2 3.83Å; Y139-W200 HydrophobicContact CD2-CH2 4.1Å; Y139-W200 AromaticContact CE1-CH2 3.94Å; Y139-W200 HydrophobicContact CE1-CH2 3.94Å; Y139-W200 AromaticContact CE1-CZ2 3.81Å; Y139-W200 HydrophobicContact CE1-CZ2 3.81Å; Y139-W200 AromaticContact CG-CH2 3.53Å; Y139-W200 HydrophobicContact CG-CH2 3.53Å; Y139-W200 HydrophobicContact CG-CZ2 4.21Å; Y139-W200 HydrophobicContact CG-CZ3 4.39Å; Y139-H204 HydrophobicContact CD2-CB 4.25Å; Y139-H204 HydrophobicContact CE2-CB 3.77Å; Y139-L293 HydrophobicContact CD1-CD1 4.38Å |
| 140 | Y | 76.4 | Confident | 75.7 | Confident | 51 Ų | 51 | 76 Ų | 76 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -46.8 | -45.2 | -176.3 | 168.2 | -91 | 0 | 0 | 0 | 113.3 | R132 K134 N137 V142 L143 Q144 | R132-Y140 VanDerWaalsContact O-CE2 3.29Å; R132-Y140 WeakPolarHBondContact O-CE2 3.4Å; K134-Y140 HydrophobicContact CB-CD1 4.01Å; K134-Y140 HydrophobicContact CB-CD2 4.02Å; K134-Y140 HydrophobicContact CB-CE1 4.04Å; K134-Y140 HydrophobicContact CB-CE2 4.01Å; K134-Y140 HydrophobicContact CB-CG 4.03Å; K134-Y140 HydrophobicContact CD-CE1 4.34Å; K134-Y140 HydrophobicContact CG-CD1 3.96Å; K134-Y140 HydrophobicContact CG-CE1 4.06Å; K134-Y140 HydrophobicContact CG-CG 4.39Å; N137-Y140 WeakPolarHBondContact ND2-CA 3.2Å; N137-Y140 PolarHBondContact ND2-N 2.65Å; N137-Y140 VanDerWaalsContact O-CB 3.31Å; N137-Y140 WeakPolarHBondContact O-CB 3.25Å; N137-Y140 PolarHBondContact O-N 3.1Å; N137-Y140 VanDerWaalsContact O-N 3.13Å; Y140-V142 VanDerWaalsContact C-N 3.3Å; Y140-V142 PolarHBondContact O-N 2.88Å; Y140-L143 PolarHBondContact O-N 2.96Å; Y140-Q144 WeakPolarHBondContact O-CB 3.44Å; Y140-Q144 PolarHBondContact O-N 2.84Å; Y140-Q144 PolarHBondContact OH-OE1 3.05Å |
| 141 | K | 73.6 | Confident | 75.3 | Confident | 188 Ų | 188 | 75.1 Ų | 75.1 | 82% | 0.817 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.5 | -33.5 | -179.7 | -69.9 | -175.6 | 179 | 179.5 | 0 | 113.7 | Y139 | Y139-K141 VanDerWaalsContact C-N 3.26Å; Y139-K141 PolarHBondContact O-N 2.95Å; Y139-K141 VanDerWaalsContact O-N 3.1Å |
| 142 | V | 67.2 | Low | 75.4 | Confident | 68 Ų | 68 | 74.7 Ų | 74.7 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -80.8 | -40.2 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | Y139 Y140 | Y139-V142 PolarHBondContact O-N 2.87Å; Y140-V142 VanDerWaalsContact C-N 3.3Å; Y140-V142 PolarHBondContact O-N 2.88Å |
| 143 | L | 72.9 | Confident | 75.6 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -83.7 | -11.2 | -175.9 | -63.2 | -175.5 | 0 | 0 | 0 | 114.6 | M131 Y139 Y140 A145 V146 W200 I201 I205 | M131-L143 HydrophobicContact CE-CB 4.1Å; M131-L143 HydrophobicContact CE-CD1 4.29Å; M131-L143 HydrophobicContact CE-CD2 4.43Å; M131-L143 HydrophobicContact CG-CD1 4.21Å; Y139-L143 PolarHBondContact O-N 2.86Å; Y140-L143 PolarHBondContact O-N 2.96Å; L143-A145 PolarHBondContact O-N 2.7Å; L143-A145 VanDerWaalsContact O-N 3.11Å; L143-V146 HydrophobicContact CD2-CB 4.4Å; L143-V146 HydrophobicContact CD2-CG2 4.11Å; L143-V146 PolarHBondContact O-N 3.49Å; L143-W200 HydrophobicContact CD1-CZ3 4.29Å; L143-W200 HydrophobicContact CD2-CE3 4.46Å; L143-W200 HydrophobicContact CD2-CZ3 3.91Å; L143-W200 HydrophobicContact CG-CZ3 4.26Å; L143-I201 HydrophobicContact CD1-CG1 4.12Å; L143-I201 HydrophobicContact CD2-CD1 3.63Å; L143-I201 HydrophobicContact CD2-CG1 3.48Å; L143-I201 VanDerWaalsContact CD2-CG1 3.48Å; L143-I201 HydrophobicContact CG-CG1 4.45Å; L143-I205 HydrophobicContact CD1-CD1 3.89Å; L143-I205 HydrophobicContact CD1-CG1 4Å |
| 144 | Q | 73.3 | Confident | 75.8 | Confident | 134 Ų | 134 | 72.3 Ų | 72.3 | 63% | 0.626 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21 | 174.5 | -171.2 | 171.8 | -2 | 0 | 0 | 113.3 | Y140 | Y140-Q144 WeakPolarHBondContact O-CB 3.44Å; Y140-Q144 PolarHBondContact O-N 2.84Å; Y140-Q144 PolarHBondContact OH-OE1 3.05Å |
| 145 | A | 70.3 | Confident | 76 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 74% | 0.744 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -3.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L143 | L143-A145 PolarHBondContact O-N 2.7Å; L143-A145 VanDerWaalsContact O-N 3.11Å |
| 146 | V | 72.3 | Confident | 76.1 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | trans | -105.3 | 115.5 | -174.6 | -171.3 | 0 | 0 | 0 | 0 | 111.1 | L143 I197 I201 | L143-V146 HydrophobicContact CD2-CB 4.4Å; L143-V146 HydrophobicContact CD2-CG2 4.11Å; L143-V146 PolarHBondContact O-N 3.49Å; V146-I197 HydrophobicContact CG1-CG2 4.12Å; V146-I197 HydrophobicContact CG2-CG2 4.29Å; V146-I201 HydrophobicContact CB-CD1 4.14Å; V146-I201 HydrophobicContact CG1-CD1 3.59Å | ||
| 147 | D | 77.2 | Confident | 76.5 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 43% | 0.428 | 37% | 0.367 | S | S | . | . | trans | -100.7 | 107.6 | 176.6 | -172.4 | -0.4 | 0 | 0 | 0 | 111.3 | T149 K150 | D147-T149 VanDerWaalsContact CG-OG1 3.25Å; D147-T149 PolarHBondContact O-N 2.92Å; D147-T149 WeakPolarHBondContact OD1-CA 3.43Å; D147-T149 WeakPolarHBondContact OD1-CB 3.31Å; D147-T149 PolarHBondContact OD1-N 2.81Å; D147-T149 PolarHBondContact OD1-OG1 3.12Å; D147-T149 PolarHBondContact OD2-OG1 3.48Å; D147-K150 VanDerWaalsContact O-CB 3.28Å; D147-K150 WeakPolarHBondContact O-CB 3.48Å; D147-K150 PolarHBondContact O-N 3.33Å | ||
| 148 | L | 80.1 | Confident | 76.3 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -69.5 | -19.2 | 174.2 | -63.7 | -178.5 | 0 | 0 | 0 | 113 | F124 I127 I128 M131 K150 W151 Y152 I198 I201 | F124-L148 HydrophobicContact CE2-CB 4.35Å; F124-L148 HydrophobicContact CE2-CD1 4.37Å; F124-L148 HydrophobicContact CZ-CB 3.8Å; F124-L148 HydrophobicContact CZ-CD1 4.39Å; I127-L148 HydrophobicContact CG2-CD1 4.25Å; I128-L148 HydrophobicContact CD1-CB 4.09Å; I128-L148 HydrophobicContact CD1-CD1 4.12Å; I128-L148 HydrophobicContact CD1-CG 4.41Å; M131-L148 HydrophobicContact CE-CD1 4.39Å; M131-L148 HydrophobicContact CE-CG 4.21Å; M131-L148 HydrophobicContact SD-CD1 3.62Å; M131-L148 HydrophobicContact SD-CG 4.07Å; L148-K150 PolarHBondContact O-N 2.94Å; L148-W151 WeakPolarHBondContact O-CA 3.06Å; L148-W151 PolarHBondContact O-N 2.88Å; L148-Y152 PolarHBondContact O-N 3.44Å; L148-I198 HydrophobicContact CD2-CG1 4.28Å; L148-I198 HydrophobicContact CD2-CG2 4.36Å; L148-I201 HydrophobicContact CD1-CG2 4.01Å; L148-I201 HydrophobicContact CD2-CD1 4.04Å; L148-I201 HydrophobicContact CD2-CG2 4.35Å |
| 149 | T | 79.8 | Confident | 76.3 | Confident | 59 Ų | 59 | 74.8 Ų | 74.8 | 36% | 0.362 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -74.9 | -12 | 178.8 | 74.2 | 0 | 0 | 0 | 0 | 112.7 | F124 D147 W151 W164 | F124-T149 HydrophobicContact CE1-CG2 4.49Å; D147-T149 VanDerWaalsContact CG-OG1 3.25Å; D147-T149 PolarHBondContact O-N 2.92Å; D147-T149 WeakPolarHBondContact OD1-CA 3.43Å; D147-T149 WeakPolarHBondContact OD1-CB 3.31Å; D147-T149 PolarHBondContact OD1-N 2.81Å; D147-T149 PolarHBondContact OD1-OG1 3.12Å; D147-T149 PolarHBondContact OD2-OG1 3.48Å; T149-W151 PolarHBondContact O-N 2.77Å; T149-W164 HydrophobicContact CG2-CH2 3.82Å; T149-W164 HydrophobicContact CG2-CZ3 3.88Å |
| 150 | K | 77.8 | Confident | 76.3 | Confident | 110 Ų | 110 | 74.6 Ų | 74.6 | 48% | 0.478 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -59 | -29.1 | 160.7 | -172.1 | -176.8 | 174.9 | -166.6 | 0 | 112.1 | D147 L148 N167 E194 | D147-K150 VanDerWaalsContact O-CB 3.28Å; D147-K150 WeakPolarHBondContact O-CB 3.48Å; D147-K150 PolarHBondContact O-N 3.33Å; L148-K150 PolarHBondContact O-N 2.94Å; K150-N167 PolarHBondContact O-ND2 3.09Å; K150-E194 IonicContact NZ-OE1 2.78Å; K150-E194 PolarHBondContact NZ-OE1 3.5Å; K150-E194 IonicContact NZ-OE2 3.54Å |
| 151 | W | 77.1 | Confident | 76.3 | Confident | 13 Ų | 13 | 77 Ų | 77 | 5% | 0.049 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -32.8 | -169.2 | -55.1 | 126.6 | 0 | 0 | 0 | 115.1 | L148 T149 L166 N167 Y171 W191 E194 I198 | L148-W151 WeakPolarHBondContact O-CA 3.06Å; L148-W151 PolarHBondContact O-N 2.88Å; T149-W151 PolarHBondContact O-N 2.77Å; W151-L166 HydrophobicContact CB-CD1 4.44Å; W151-N167 VanDerWaalsContact O-CB 3.27Å; W151-N167 WeakPolarHBondContact O-CB 3.14Å; W151-N167 VanDerWaalsContact O-CG 3.22Å; W151-N167 PolarHBondContact O-N 2.88Å; W151-N167 PolarHBondContact O-ND2 3.22Å; W151-Y171 HydrophobicContact CZ3-CE1 4.12Å; W151-Y171 HydrophobicContact CZ3-CE2 4.04Å; W151-Y171 AromaticContact CZ3-CZ 3.51Å; W151-Y171 WeakPolarHBondContact CZ3-OH 3.44Å; W151-W191 HydrophobicContact CD2-CZ3 4.49Å; W151-W191 HydrophobicContact CE3-CZ3 4.07Å; W151-W191 HydrophobicContact CH2-CZ3 4.49Å; W151-W191 HydrophobicContact CZ3-CZ3 4.12Å; W151-E194 WeakPolarHBondContact CH2-OE2 3.39Å; W151-E194 HydrophobicContact CZ2-CB 3.94Å; W151-E194 HydrophobicContact CZ2-CG 4.14Å; W151-E194 VanDerWaalsContact CZ2-OE1 3.32Å; W151-E194 WeakPolarHBondContact CZ2-OE1 3.44Å; W151-E194 VanDerWaalsContact CZ2-OE2 3.28Å; W151-E194 WeakPolarHBondContact CZ2-OE2 3.26Å; W151-I198 HydrophobicContact CB-CD1 4.09Å; W151-I198 HydrophobicContact CD2-CD1 4.18Å; W151-I198 HydrophobicContact CG-CD1 3.6Å; W151-I198 HydrophobicContact CG-CG1 4.36Å |
| 152 | Y | 85.6 | Confident | 76.7 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 0% | 0.004 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.5 | 176.9 | -72.7 | -99.9 | 0 | 0 | 0 | 109.7 | P116 I119 F124 L148 W164 N165 L166 I198 | P116-Y152 WeakPolarHBondContact O-CE1 3.26Å; P116-Y152 PolarHBondContact O-OH 3.05Å; P116-Y152 VanDerWaalsContact O-OH 3.05Å; I119-Y152 HydrophobicContact CD1-CD1 4.2Å; I119-Y152 HydrophobicContact CD1-CE1 3.64Å; I119-Y152 HydrophobicContact CG1-CE1 4.1Å; F124-Y152 HydrophobicContact CE2-CD1 4.27Å; F124-Y152 AromaticContact CE2-CD2 3.88Å; F124-Y152 HydrophobicContact CE2-CD2 3.88Å; F124-Y152 AromaticContact CE2-CG 3.71Å; F124-Y152 HydrophobicContact CE2-CG 3.71Å; F124-Y152 HydrophobicContact CZ-CD2 4.39Å; F124-Y152 HydrophobicContact CZ-CG 4.22Å; L148-Y152 PolarHBondContact O-N 3.44Å; Y152-W164 HydrophobicContact CD1-CB 4.3Å; Y152-W164 VanDerWaalsContact O-CZ3 3.3Å; Y152-W164 WeakPolarHBondContact O-CZ3 3.4Å; Y152-N165 CarbonylContact C-O 3.6Å; Y152-N165 VanDerWaalsContact CA-O 3.26Å; Y152-N165 WeakPolarHBondContact CA-O 3.27Å; Y152-L166 HydrophobicContact CD1-CB 4.29Å; Y152-L166 HydrophobicContact CD2-CD1 4.24Å; Y152-L166 HydrophobicContact CE1-CB 3.9Å; Y152-L166 HydrophobicContact CE1-CD1 4.24Å; Y152-L166 HydrophobicContact CE2-CD1 3.77Å; Y152-I198 HydrophobicContact CE2-CG2 4.23Å |
| 153 | H | 85.4 | Confident | 77.5 | Confident | 80 Ų | 80 | 69.8 Ų | 69.8 | 37% | 0.37 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.1 | 168.4 | 66.4 | -87.2 | 0 | 0 | 0 | 110.2 | N155 W164 N165 N167 | H153-N155 PolarHBondContact O-N 2.65Å; H153-W164 CarbonylContact O-C 3.58Å; H153-W164 WeakPolarHBondContact O-CA 3.4Å; H153-N165 PolarHBondContact N-O 2.9Å; H153-N165 PolarHBondContact ND1-O 2.96Å; H153-N165 PolarHBondContact O-N 3.27Å; H153-N167 PolarHBondContact ND1-OD1 2.87Å |
| 154 | L | 86.8 | Confident | 78.2 | Confident | 79 Ų | 79 | 70.7 Ų | 70.7 | 41% | 0.414 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 126.1 | 170.9 | -176.4 | 64.3 | 0 | 0 | 0 | 109.9 | A121 P156 P162 W164 | A121-L154 HydrophobicContact CB-CD1 4.22Å; L154-P156 WeakPolarHBondContact O-CD 3.25Å; L154-P162 HydrophobicContact CD1-CB 4.1Å; L154-W164 HydrophobicContact CB-CD2 4.1Å; L154-W164 HydrophobicContact CB-CE3 4.22Å; L154-W164 HydrophobicContact CB-CH2 4.36Å; L154-W164 HydrophobicContact CB-CZ2 4.23Å; L154-W164 HydrophobicContact CB-CZ3 4.35Å; L154-W164 HydrophobicContact CD1-CD2 4.34Å; L154-W164 HydrophobicContact CD1-CG 4.24Å |
| 155 | N | 81.4 | Confident | 78.6 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 23% | 0.225 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 99.1 | 169.8 | -176.1 | -3.2 | 0 | 0 | 0 | 110.1 | H153 N157 I158 E163 N165 | H153-N155 PolarHBondContact O-N 2.65Å; N155-N157 PolarHBondContact O-N 2.74Å; N155-N157 WeakPolarHBondContact OD1-CB 3.45Å; N155-N157 PolarHBondContact OD1-N 3.5Å; N155-I158 HydrophobicContact CB-CD1 4Å; N155-E163 PolarHBondContact N-O 3.35Å; N155-N165 WeakPolarHBondContact CB-ND2 3.31Å; N155-N165 PolarHBondContact ND2-ND2 3.1Å |
| 156 | P | 80 | Confident | 79.1 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -2.1 | -179.6 | 33.2 | -37.1 | 0 | 0 | 0 | 113.8 | L154 | L154-P156 WeakPolarHBondContact O-CD 3.25Š|
| 157 | N | 76.2 | Confident | 79.2 | Confident | 143 Ų | 143 | 62.1 Ų | 62.1 | 77% | 0.765 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 17.1 | -172.4 | -57.2 | -49.1 | 0 | 0 | 0 | 113.6 | N155 | N155-N157 PolarHBondContact O-N 2.74Å; N155-N157 WeakPolarHBondContact OD1-CB 3.45Å; N155-N157 PolarHBondContact OD1-N 3.5Å |
| 158 | I | 67.1 | Low | 78.6 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 22% | 0.221 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -94.9 | 141.5 | -178.2 | -70.7 | 170.4 | 0 | 0 | 0 | 109.9 | N155 G160 E163 | N155-I158 HydrophobicContact CB-CD1 4Å; I158-G160 PolarHBondContact O-N 3.03Å; I158-E163 HydrophobicContact CD1-CB 3.92Å; I158-E163 HydrophobicContact CD1-CG 4.14Å; I158-E163 WeakPolarHBondContact CD1-OE2 3.27Å; I158-E163 HydrophobicContact CG2-CG 4.22Å |
| 159 | I | 70.4 | Confident | 77.9 | Confident | 180 Ų | 180 | 61.9 Ų | 61.9 | 92% | 0.923 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -80.2 | 85.9 | -178.1 | -53.8 | 176 | 0 | 0 | 0 | 108.8 | ||
| 160 | G | 72.1 | Confident | 77 | Confident | 67 Ų | 67 | 63.9 Ų | 63.9 | 69% | 0.691 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 161.6 | -146.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I158 | I158-G160 PolarHBondContact O-N 3.03Š|
| 161 | E | 75.9 | Confident | 76.3 | Confident | 103 Ų | 103 | 62.9 Ų | 62.9 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -65.8 | 146.9 | 158.4 | -61.4 | -167.5 | 153.6 | 0 | 0 | 109.6 | S120 N122 | S120-E161 WeakPolarHBondContact CB-OE2 3.48Å; S120-E161 PolarHBondContact OG-OE2 3.49Å; N122-E161 PolarHBondContact ND2-OE1 3.08Å; N122-E161 PolarHBondContact ND2-OE2 2.84Å |
| 162 | P | 82.1 | Confident | 75.5 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 36% | 0.357 | 35% | 0.346 | S | S | . | . | trans | -67.4 | 138.4 | 174 | 28.2 | -32.7 | 0 | 0 | 0 | 110.3 | A121 L154 | A121-P162 HydrophobicContact CB-CG 3.88Å; A121-P162 WeakPolarHBondContact CB-O 3.42Å; A121-P162 PolarHBondContact N-O 3.29Å; L154-P162 HydrophobicContact CD1-CB 4.1Å | ||
| 163 | E | 84.2 | Confident | 74.2 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 23% | 0.229 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 135.3 | -175.3 | -54.4 | -177.3 | 140.4 | 0 | 0 | 110.7 | R118 I119 N155 I158 | R118-E163 HydrophobicContact CB-CB 4.4Å; R118-E163 WeakPolarHBondContact CD-OE2 3.31Å; R118-E163 IonicContact CZ-OE2 3.01Å; R118-E163 IonicContact NE-OE2 2.7Å; R118-E163 IonicContact NH1-OE2 2.67Å; R118-E163 PolarHBondContact NH1-OE2 2.96Å; I119-E163 CarbonylContact O-C 3.48Å; I119-E163 WeakPolarHBondContact O-CA 3.37Å; N155-E163 PolarHBondContact N-O 3.35Å; I158-E163 HydrophobicContact CD1-CB 3.92Å; I158-E163 HydrophobicContact CD1-CG 4.14Å; I158-E163 WeakPolarHBondContact CD1-OE2 3.27Å; I158-E163 HydrophobicContact CG2-CG 4.22Å |
| 164 | W | 86.9 | Confident | 73.1 | Confident | 26 Ų | 26 | 65 Ų | 65 | 10% | 0.098 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 115.9 | 164.1 | -74.5 | 84.9 | 0 | 0 | 0 | 108.8 | R118 I119 F124 E125 T149 Y152 H153 L154 | R118-W164 CarbonylContact C-O 3.53Å; R118-W164 VanDerWaalsContact CA-O 3.31Å; R118-W164 WeakPolarHBondContact CA-O 3.38Å; I119-W164 PolarHBondContact N-O 2.81Å; I119-W164 PolarHBondContact O-N 2.87Å; F124-W164 HydrophobicContact CB-CB 4.31Å; F124-W164 VanDerWaalsContact CB-CD1 3.41Å; F124-W164 HydrophobicContact CB-CG 3.9Å; F124-W164 HydrophobicContact CD1-CB 4.41Å; F124-W164 AromaticContact CD1-CD1 3.6Å; F124-W164 AromaticContact CD1-CD2 3.45Å; F124-W164 HydrophobicContact CD1-CD2 3.45Å; F124-W164 VanDerWaalsContact CD1-CD2 3.45Å; F124-W164 AromaticContact CD1-CE2 3.35Å; F124-W164 HydrophobicContact CD1-CE3 4.09Å; F124-W164 AromaticContact CD1-CG 3.6Å; F124-W164 HydrophobicContact CD1-CG 3.6Å; F124-W164 AromaticContact CD1-CZ2 3.93Å; F124-W164 HydrophobicContact CD1-CZ2 3.93Å; F124-W164 AromaticContact CD1-NE1 3.41Å; F124-W164 HydrophobicContact CD2-CB 3.99Å; F124-W164 HydrophobicContact CD2-CD2 4.5Å; F124-W164 HydrophobicContact CD2-CG 4.05Å; F124-W164 AromaticContact CE1-CD2 3.53Å; F124-W164 HydrophobicContact CE1-CD2 3.53Å; F124-W164 AromaticContact CE1-CE2 3.67Å; F124-W164 AromaticContact CE1-CE3 3.66Å; F124-W164 HydrophobicContact CE1-CE3 3.66Å; F124-W164 HydrophobicContact CE1-CG 4.06Å; F124-W164 HydrophobicContact CE1-CH2 4.08Å; F124-W164 AromaticContact CE1-CZ2 3.95Å; F124-W164 HydrophobicContact CE1-CZ2 3.95Å; F124-W164 AromaticContact CE1-CZ3 3.94Å; F124-W164 HydrophobicContact CE1-CZ3 3.94Å; F124-W164 HydrophobicContact CE2-CB 4.38Å; F124-W164 HydrophobicContact CE2-CG 4.47Å; F124-W164 HydrophobicContact CG-CB 3.99Å; F124-W164 AromaticContact CG-CD1 3.55Å; F124-W164 AromaticContact CG-CD2 3.96Å; F124-W164 HydrophobicContact CG-CD2 3.96Å; F124-W164 AromaticContact CG-CG 3.58Å; F124-W164 HydrophobicContact CG-CG 3.58Å; F124-W164 AromaticContact CG-NE1 3.86Å; F124-W164 HydrophobicContact CZ-CD2 4.11Å; F124-W164 AromaticContact CZ-CE3 4Å; F124-W164 HydrophobicContact CZ-CE3 4Å; F124-W164 HydrophobicContact CZ-CG 4.47Å; F124-W164 HydrophobicContact CZ-CZ3 4.45Å; E125-W164 WeakPolarHBondContact OE1-CZ2 3.3Å; T149-W164 HydrophobicContact CG2-CH2 3.82Å; T149-W164 HydrophobicContact CG2-CZ3 3.88Å; Y152-W164 HydrophobicContact CD1-CB 4.3Å; Y152-W164 VanDerWaalsContact O-CZ3 3.3Å; Y152-W164 WeakPolarHBondContact O-CZ3 3.4Å; H153-W164 CarbonylContact O-C 3.58Å; H153-W164 WeakPolarHBondContact O-CA 3.4Å; L154-W164 HydrophobicContact CB-CD2 4.1Å; L154-W164 HydrophobicContact CB-CE3 4.22Å; L154-W164 HydrophobicContact CB-CH2 4.36Å; L154-W164 HydrophobicContact CB-CZ2 4.23Å; L154-W164 HydrophobicContact CB-CZ3 4.35Å; L154-W164 HydrophobicContact CD1-CD2 4.34Å; L154-W164 HydrophobicContact CD1-CG 4.24Å |
| 165 | N | 82.3 | Confident | 71.9 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 10% | 0.096 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.9 | 178.3 | -68.9 | -47.9 | 0 | 0 | 0 | 110.6 | K117 R118 Y152 H153 N155 N167 | K117-N165 WeakPolarHBondContact O-CA 3.42Å; R118-N165 VanDerWaalsContact CD-OD1 3.25Å; R118-N165 WeakPolarHBondContact CD-OD1 3.19Å; R118-N165 WeakPolarHBondContact CG-OD1 3.24Å; Y152-N165 CarbonylContact C-O 3.6Å; Y152-N165 VanDerWaalsContact CA-O 3.26Å; Y152-N165 WeakPolarHBondContact CA-O 3.27Å; H153-N165 PolarHBondContact N-O 2.9Å; H153-N165 PolarHBondContact ND1-O 2.96Å; H153-N165 PolarHBondContact O-N 3.27Å; N155-N165 WeakPolarHBondContact CB-ND2 3.31Å; N155-N165 PolarHBondContact ND2-ND2 3.1Å; N165-N167 PolarHBondContact O-N 2.81Å |
| 166 | L | 80.9 | Confident | 70.8 | Confident | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 131.4 | 169.6 | -173.6 | 68.2 | 0 | 0 | 0 | 109.4 | E78 L115 K117 W151 Y152 S168 | E78-L166 HydrophobicContact CB-CD2 4.12Å; E78-L166 HydrophobicContact CG-CD2 4.15Å; L115-L166 HydrophobicContact CB-CD2 4.49Å; K117-L166 PolarHBondContact O-N 3.25Å; W151-L166 HydrophobicContact CB-CD1 4.44Å; Y152-L166 HydrophobicContact CD1-CB 4.29Å; Y152-L166 HydrophobicContact CD2-CD1 4.24Å; Y152-L166 HydrophobicContact CE1-CB 3.9Å; Y152-L166 HydrophobicContact CE1-CD1 4.24Å; Y152-L166 HydrophobicContact CE2-CD1 3.77Å; L166-S168 PolarHBondContact O-N 3.34Å |
| 167 | N | 74.7 | Confident | 69.9 | Low | 45 Ų | 45 | 69.6 Ų | 69.6 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 132.8 | 177.6 | -76.3 | -23.2 | 0 | 0 | 0 | 110.1 | K150 W151 H153 N165 M169 | K150-N167 PolarHBondContact O-ND2 3.09Å; W151-N167 VanDerWaalsContact O-CB 3.27Å; W151-N167 WeakPolarHBondContact O-CB 3.14Å; W151-N167 VanDerWaalsContact O-CG 3.22Å; W151-N167 PolarHBondContact O-N 2.88Å; W151-N167 PolarHBondContact O-ND2 3.22Å; H153-N167 PolarHBondContact ND1-OD1 2.87Å; N165-N167 PolarHBondContact O-N 2.81Å; N167-M169 PolarHBondContact O-N 3.25Å |
| 168 | S | 63.1 | Low | 69.1 | Low | 71 Ų | 71 | 66 Ų | 66 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 130.7 | 175.2 | -168.6 | 0 | 0 | 0 | 0 | 109.7 | L166 D170 Y171 | L166-S168 PolarHBondContact O-N 3.34Å; S168-D170 VanDerWaalsContact CB-OD2 3.25Å; S168-D170 WeakPolarHBondContact CB-OD2 3.45Å; S168-D170 PolarHBondContact O-N 3.41Å; S168-D170 VanDerWaalsContact OG-CG 3.26Å; S168-D170 PolarHBondContact OG-OD2 3.12Å; S168-Y171 WeakPolarHBondContact O-CD1 3.34Å; S168-Y171 PolarHBondContact O-N 3.01Å |
| 169 | M | 65.8 | Low | 68.5 | Low | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.02 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 12.4 | 178.7 | -73.6 | 154.5 | 69.4 | 0 | 0 | 113.7 | P76 E78 H79 N167 Y171 L172 G173 W191 | P76-M169 HydrophobicContact CB-CE 3.51Å; P76-M169 HydrophobicContact CG-CE 3.48Å; P76-M169 VanDerWaalsContact CG-CE 3.48Å; E78-M169 VanDerWaalsContact C-SD 3.53Å; E78-M169 HydrophobicContact CB-CE 4.34Å; E78-M169 HydrophobicContact CB-SD 3.38Å; E78-M169 WeakPolarHBondContact CB-SD 3.3Å; H79-M169 HydrophobicContact CB-CB 4.05Å; H79-M169 HydrophobicContact CB-CE 3.91Å; H79-M169 HydrophobicContact CB-SD 4.28Å; H79-M169 PolarHBondContact N-SD 2.99Å; N167-M169 PolarHBondContact O-N 3.25Å; M169-Y171 HydrophobicContact CG-CE1 4.01Å; M169-Y171 PolarHBondContact O-N 3.2Å; M169-L172 HydrophobicContact CB-CB 4.49Å; M169-L172 HydrophobicContact CB-CD1 4.35Å; M169-L172 HydrophobicContact CE-CD1 3.78Å; M169-L172 HydrophobicContact CG-CD1 4.15Å; M169-L172 CarbonylContact O-C 3.6Å; M169-L172 WeakPolarHBondContact O-CA 3.19Å; M169-L172 WeakPolarHBondContact O-CB 2.95Å; M169-L172 PolarHBondContact O-N 3.3Å; M169-G173 PolarHBondContact O-N 3.04Å; M169-W191 HydrophobicContact CE-CD2 4.11Å; M169-W191 HydrophobicContact CE-CG 4.27Å; M169-W191 HydrophobicContact CE-CZ2 4.11Å; M169-W191 HydrophobicContact SD-CH2 4.25Å; M169-W191 HydrophobicContact SD-CZ2 3.7Å |
| 170 | D | 61.3 | Low | 68.3 | Low | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -53.9 | -25 | 157.7 | -55.5 | -44.8 | 0 | 0 | 0 | 112 | H79 S168 L172 G173 | H79-D170 IonicContact CE1-OD1 3.83Å; S168-D170 VanDerWaalsContact CB-OD2 3.25Å; S168-D170 WeakPolarHBondContact CB-OD2 3.45Å; S168-D170 PolarHBondContact O-N 3.41Å; S168-D170 VanDerWaalsContact OG-CG 3.26Å; S168-D170 PolarHBondContact OG-OD2 3.12Å; D170-L172 VanDerWaalsContact C-N 3.33Å; D170-G173 WeakPolarHBondContact O-CA 3.41Å; D170-G173 PolarHBondContact O-N 2.87Å |
| 171 | Y | 62.2 | Low | 67.9 | Low | 89 Ų | 89 | 67.8 Ų | 67.8 | 35% | 0.349 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.7 | -31.3 | 169.5 | 94 | -91.5 | 0 | 0 | 0 | 113.1 | W151 S168 M169 W191 | W151-Y171 HydrophobicContact CZ3-CE1 4.12Å; W151-Y171 HydrophobicContact CZ3-CE2 4.04Å; W151-Y171 AromaticContact CZ3-CZ 3.51Å; W151-Y171 WeakPolarHBondContact CZ3-OH 3.44Å; S168-Y171 WeakPolarHBondContact O-CD1 3.34Å; S168-Y171 PolarHBondContact O-N 3.01Å; M169-Y171 HydrophobicContact CG-CE1 4.01Å; M169-Y171 PolarHBondContact O-N 3.2Å; Y171-W191 VanDerWaalsContact OH-CE3 3.31Å; Y171-W191 WeakPolarHBondContact OH-CZ3 3.36Å |
| 172 | L | 61.9 | Low | 67.5 | Low | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.047 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -77.9 | -27.7 | 164.6 | -64.7 | 179.2 | 0 | 0 | 0 | 110.5 | M169 D170 D174 K175 L176 I187 W191 | M169-L172 HydrophobicContact CB-CB 4.49Å; M169-L172 HydrophobicContact CB-CD1 4.35Å; M169-L172 HydrophobicContact CE-CD1 3.78Å; M169-L172 HydrophobicContact CG-CD1 4.15Å; M169-L172 CarbonylContact O-C 3.6Å; M169-L172 WeakPolarHBondContact O-CA 3.19Å; M169-L172 WeakPolarHBondContact O-CB 2.95Å; M169-L172 PolarHBondContact O-N 3.3Å; D170-L172 VanDerWaalsContact C-N 3.33Å; L172-D174 VanDerWaalsContact C-N 3.29Å; L172-D174 PolarHBondContact O-N 2.87Å; L172-K175 CarbonylContact O-C 3.54Å; L172-K175 WeakPolarHBondContact O-CA 3.23Å; L172-K175 WeakPolarHBondContact O-CB 3.31Å; L172-K175 PolarHBondContact O-N 3.36Å; L172-L176 HydrophobicContact CB-CD1 3.58Å; L172-L176 HydrophobicContact CB-CG 4Å; L172-L176 HydrophobicContact CD1-CD1 4.49Å; L172-L176 WeakPolarHBondContact O-CB 3.45Å; L172-L176 WeakPolarHBondContact O-CG 3.43Å; L172-L176 PolarHBondContact O-N 3.44Å; L172-I187 HydrophobicContact CD2-CG2 3.82Å; L172-W191 HydrophobicContact CD1-CB 4.07Å; L172-W191 HydrophobicContact CD1-CD2 4.17Å; L172-W191 HydrophobicContact CD1-CE3 4.3Å; L172-W191 HydrophobicContact CD1-CG 4.07Å |
| 173 | G | 56.6 | Low | 66.8 | Low | 10 Ų | 10 | 69 Ų | 69 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -47.5 | -44 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M169 D170 K175 L176 K177 | M169-G173 PolarHBondContact O-N 3.04Å; D170-G173 WeakPolarHBondContact O-CA 3.41Å; D170-G173 PolarHBondContact O-N 2.87Å; G173-K175 VanDerWaalsContact C-N 3.3Å; G173-K175 PolarHBondContact O-N 3.13Å; G173-L176 PolarHBondContact O-N 3.04Å; G173-K177 WeakPolarHBondContact O-CG 3.23Å; G173-K177 PolarHBondContact O-N 2.9Å |
| 174 | D | 63.4 | Low | 66 | Low | 120 Ų | 120 | 70.3 Ų | 70.3 | 64% | 0.642 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -71.8 | -21.2 | 176.8 | -75.3 | -18.1 | 0 | 0 | 0 | 114.2 | L172 K177 | L172-D174 VanDerWaalsContact C-N 3.29Å; L172-D174 PolarHBondContact O-N 2.87Å; D174-K177 IonicContact OD1-NZ 2.71Å; D174-K177 PolarHBondContact OD1-NZ 2.94Å |
| 175 | K | 61.6 | Low | 65.1 | Low | 122 Ų | 122 | 75.8 Ų | 75.8 | 53% | 0.53 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -92.2 | -24.9 | 172.1 | -50.6 | -173.1 | 177.6 | -176.5 | 0 | 112.8 | L172 G173 K177 D178 I187 | L172-K175 CarbonylContact O-C 3.54Å; L172-K175 WeakPolarHBondContact O-CA 3.23Å; L172-K175 WeakPolarHBondContact O-CB 3.31Å; L172-K175 PolarHBondContact O-N 3.36Å; G173-K175 VanDerWaalsContact C-N 3.3Å; G173-K175 PolarHBondContact O-N 3.13Å; K175-K177 VanDerWaalsContact C-N 3.34Å; K175-D178 VanDerWaalsContact O-CB 3.26Å; K175-D178 WeakPolarHBondContact O-CB 3.23Å; K175-D178 PolarHBondContact O-N 3.04Å; K175-I187 HydrophobicContact CB-CD1 3.55Å; K175-I187 HydrophobicContact CB-CG1 4.4Å; K175-I187 VanDerWaalsContact O-CD1 3.25Å; K175-I187 WeakPolarHBondContact O-CD1 3.16Å |
| 176 | L | 59.3 | Low | 64.6 | Low | 34 Ų | 34 | 81.1 Ų | 81.1 | 18% | 0.178 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -81.7 | -13.8 | 174.2 | -71.2 | 171.1 | 0 | 0 | 0 | 112.4 | P76 L172 G173 D178 R184 I187 I188 | P76-L176 HydrophobicContact CG-CD1 4.14Å; L172-L176 HydrophobicContact CB-CD1 3.58Å; L172-L176 HydrophobicContact CB-CG 4Å; L172-L176 HydrophobicContact CD1-CD1 4.49Å; L172-L176 WeakPolarHBondContact O-CB 3.45Å; L172-L176 WeakPolarHBondContact O-CG 3.43Å; L172-L176 PolarHBondContact O-N 3.44Å; G173-L176 PolarHBondContact O-N 3.04Å; L176-D178 VanDerWaalsContact C-N 3.28Å; L176-R184 VanDerWaalsContact O-CD 3.3Å; L176-R184 WeakPolarHBondContact O-CD 3.1Å; L176-I187 HydrophobicContact CD2-CG2 4.29Å; L176-I188 HydrophobicContact CD2-CD1 4.37Å; L176-I188 HydrophobicContact CD2-CG1 4.04Å |
| 177 | K | 60.2 | Low | 64.2 | Low | 146 Ų | 146 | 81 Ų | 81 | 64% | 0.635 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -11.5 | 165.2 | -76.5 | 165.9 | -156.4 | 167.4 | 0 | 113.5 | G173 D174 K175 E179 | G173-K177 WeakPolarHBondContact O-CG 3.23Å; G173-K177 PolarHBondContact O-N 2.9Å; D174-K177 IonicContact OD1-NZ 2.71Å; D174-K177 PolarHBondContact OD1-NZ 2.94Å; K175-K177 VanDerWaalsContact C-N 3.34Å; K177-E179 PolarHBondContact O-N 3.26Å |
| 178 | D | 59.7 | Low | 64 | Low | 68 Ų | 68 | 79.4 Ų | 79.4 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | trans | -60.2 | 122.9 | 176.5 | -171.2 | -11.6 | 0 | 0 | 0 | 109.7 | K175 L176 S180 S183 R184 | K175-D178 VanDerWaalsContact O-CB 3.26Å; K175-D178 WeakPolarHBondContact O-CB 3.23Å; K175-D178 PolarHBondContact O-N 3.04Å; L176-D178 VanDerWaalsContact C-N 3.28Å; D178-S180 PolarHBondContact O-N 2.89Å; D178-S180 WeakPolarHBondContact OD1-CB 3.45Å; D178-S180 PolarHBondContact OD1-N 2.57Å; D178-S183 WeakPolarHBondContact OD2-CB 3.48Å; D178-S183 PolarHBondContact OD2-OG 2.84Å; D178-R184 WeakPolarHBondContact O-CD 3.31Å; D178-R184 WeakPolarHBondContact O-CG 3.44Å; D178-R184 PolarHBondContact O-NE 2.91Å | ||
| 179 | E | 54.8 | Low | 64.3 | Low | 179 Ų | 179 | 82.6 Ų | 82.6 | 84% | 0.836 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -62.4 | -28.1 | -174.4 | -61.8 | -172.6 | 150.2 | 0 | 0 | 111.5 | K177 F181 R184 | K177-E179 PolarHBondContact O-N 3.26Å; E179-F181 PolarHBondContact O-N 3Å; E179-R184 PolarHBondContact O-NH2 3.22Å |
| 180 | S | 64.7 | Low | 64.6 | Low | 44 Ų | 44 | 86.9 Ų | 86.9 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | trans | -58.6 | 119 | 174.7 | 163.4 | 0 | 0 | 0 | 0 | 112.2 | D178 E182 S183 R184 | D178-S180 PolarHBondContact O-N 2.89Å; D178-S180 WeakPolarHBondContact OD1-CB 3.45Å; D178-S180 PolarHBondContact OD1-N 2.57Å; S180-E182 PolarHBondContact O-N 2.75Å; S180-E182 PolarHBondContact OG-N 3.16Å; S180-S183 WeakPolarHBondContact CB-OG 2.87Å; S180-S183 PolarHBondContact O-N 2.82Å; S180-S183 WeakPolarHBondContact OG-CB 3.14Å; S180-S183 PolarHBondContact OG-N 3.04Å; S180-S183 PolarHBondContact OG-OG 2.61Å; S180-S183 VanDerWaalsContact OG-OG 3.06Å; S180-R184 WeakPolarHBondContact O-CG 3.36Å; S180-R184 PolarHBondContact O-N 3.36Å; S180-R184 PolarHBondContact O-NE 2.99Å | ||
| 181 | F | 63.9 | Low | 65.3 | Low | 105 Ų | 105 | 82.2 Ų | 82.2 | 46% | 0.461 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -32.7 | 172.1 | 177.2 | -105.1 | 0 | 0 | 0 | 111.5 | I74 E179 R185 | I74-F181 HydrophobicContact CD1-CE2 4.42Å; E179-F181 PolarHBondContact O-N 3Å; F181-R185 WeakPolarHBondContact O-CB 3.29Å; F181-R185 PolarHBondContact O-N 3.23Å |
| 182 | E | 67.3 | Low | 65.6 | Low | 148 Ų | 148 | 80.7 Ų | 80.7 | 69% | 0.692 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -71.1 | -41.8 | 178.7 | -64.1 | -152.9 | 116.3 | 0 | 0 | 112.8 | S180 R185 K186 | S180-E182 PolarHBondContact O-N 2.75Å; S180-E182 PolarHBondContact OG-N 3.16Å; E182-R185 PolarHBondContact O-N 2.65Å; E182-K186 VanDerWaalsContact O-CB 3.24Å; E182-K186 WeakPolarHBondContact O-CB 3.37Å; E182-K186 PolarHBondContact O-N 3.25Å |
| 183 | S | 68.5 | Low | 65.9 | Low | 35 Ų | 35 | 86.2 Ų | 86.2 | 25% | 0.245 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -56.1 | -55.4 | 172.5 | -67.4 | 0 | 0 | 0 | 0 | 109.5 | D178 S180 R185 K186 I187 | D178-S183 WeakPolarHBondContact OD2-CB 3.48Å; D178-S183 PolarHBondContact OD2-OG 2.84Å; S180-S183 WeakPolarHBondContact CB-OG 2.87Å; S180-S183 PolarHBondContact O-N 2.82Å; S180-S183 WeakPolarHBondContact OG-CB 3.14Å; S180-S183 PolarHBondContact OG-N 3.04Å; S180-S183 PolarHBondContact OG-OG 2.61Å; S180-S183 VanDerWaalsContact OG-OG 3.06Å; S183-R185 PolarHBondContact O-N 2.76Å; S183-K186 PolarHBondContact O-N 2.82Å; S183-K186 VanDerWaalsContact O-N 3.15Å; S183-I187 WeakPolarHBondContact O-CB 3.42Å; S183-I187 VanDerWaalsContact O-CD1 3.25Å; S183-I187 WeakPolarHBondContact O-CD1 3.13Å; S183-I187 WeakPolarHBondContact O-CG1 3.35Å; S183-I187 PolarHBondContact O-N 3.33Å |
| 184 | R | 68.1 | Low | 66.7 | Low | 76 Ų | 76 | 88.5 Ų | 88.5 | 29% | 0.287 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.9 | -51.6 | 178.1 | -71 | -178.8 | -79.8 | 152.8 | -9 | 111.1 | L176 D178 E179 S180 K186 I187 I188 | L176-R184 VanDerWaalsContact O-CD 3.3Å; L176-R184 WeakPolarHBondContact O-CD 3.1Å; D178-R184 WeakPolarHBondContact O-CD 3.31Å; D178-R184 WeakPolarHBondContact O-CG 3.44Å; D178-R184 PolarHBondContact O-NE 2.91Å; E179-R184 PolarHBondContact O-NH2 3.22Å; S180-R184 WeakPolarHBondContact O-CG 3.36Å; S180-R184 PolarHBondContact O-N 3.36Å; S180-R184 PolarHBondContact O-NE 2.99Å; R184-K186 VanDerWaalsContact C-N 3.31Å; R184-K186 PolarHBondContact O-N 3.02Å; R184-I187 PolarHBondContact O-N 3.31Å; R184-I188 HydrophobicContact CB-CD1 4.46Å; R184-I188 WeakPolarHBondContact O-CB 3.48Å; R184-I188 WeakPolarHBondContact O-CD1 3.11Å; R184-I188 WeakPolarHBondContact O-CG1 3.24Å; R184-I188 PolarHBondContact O-N 3.19Å |
| 185 | R | 67.2 | Low | 67.3 | Low | 141 Ų | 141 | 82.9 Ų | 82.9 | 53% | 0.532 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.6 | -35.5 | 179 | -169.7 | -179.2 | -170.1 | -161.5 | 7 | 113.1 | F181 E182 S183 K189 | F181-R185 WeakPolarHBondContact O-CB 3.29Å; F181-R185 PolarHBondContact O-N 3.23Å; E182-R185 PolarHBondContact O-N 2.65Å; S183-R185 PolarHBondContact O-N 2.76Å; R185-K189 WeakPolarHBondContact O-CG 3.42Å; R185-K189 PolarHBondContact O-N 2.86Å; R185-K189 VanDerWaalsContact O-N 3.07Å |
| 186 | K | 72.5 | Confident | 67.7 | Low | 131 Ų | 131 | 79.6 Ų | 79.6 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -70 | -47.2 | 175.1 | -177.5 | 178 | 174.3 | -178.4 | 0 | 111.3 | E182 S183 R184 I188 K189 E190 | E182-K186 VanDerWaalsContact O-CB 3.24Å; E182-K186 WeakPolarHBondContact O-CB 3.37Å; E182-K186 PolarHBondContact O-N 3.25Å; S183-K186 PolarHBondContact O-N 2.82Å; S183-K186 VanDerWaalsContact O-N 3.15Å; R184-K186 VanDerWaalsContact C-N 3.31Å; R184-K186 PolarHBondContact O-N 3.02Å; K186-I188 VanDerWaalsContact C-N 3.28Å; K186-I188 PolarHBondContact O-N 3.21Å; K186-K189 WeakPolarHBondContact O-CB 3.46Å; K186-K189 PolarHBondContact O-N 2.82Å; K186-K189 VanDerWaalsContact O-N 3.13Å; K186-E190 WeakPolarHBondContact CE-OE1 3.42Å; K186-E190 WeakPolarHBondContact CG-OE1 3.42Å; K186-E190 WeakPolarHBondContact O-CG 3.38Å; K186-E190 PolarHBondContact O-N 2.88Å |
| 187 | I | 72.4 | Confident | 68.3 | Low | 21 Ų | 21 | 80.6 Ų | 80.6 | 11% | 0.108 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 176.1 | -65.8 | 155.2 | 0 | 0 | 0 | 111.2 | L172 K175 L176 S183 R184 E190 W191 | L172-I187 HydrophobicContact CD2-CG2 3.82Å; K175-I187 HydrophobicContact CB-CD1 3.55Å; K175-I187 HydrophobicContact CB-CG1 4.4Å; K175-I187 VanDerWaalsContact O-CD1 3.25Å; K175-I187 WeakPolarHBondContact O-CD1 3.16Å; L176-I187 HydrophobicContact CD2-CG2 4.29Å; S183-I187 WeakPolarHBondContact O-CB 3.42Å; S183-I187 VanDerWaalsContact O-CD1 3.25Å; S183-I187 WeakPolarHBondContact O-CD1 3.13Å; S183-I187 WeakPolarHBondContact O-CG1 3.35Å; S183-I187 PolarHBondContact O-N 3.33Å; R184-I187 PolarHBondContact O-N 3.31Å; I187-E190 PolarHBondContact O-N 3.4Å; I187-W191 PolarHBondContact O-N 2.79Å |
| 188 | I | 69.9 | Low | 69.2 | Low | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.3 | -37.5 | 176.6 | -65.1 | 156 | 0 | 0 | 0 | 111.4 | I74 L176 R184 K186 N192 | I74-I188 HydrophobicContact CG2-CD1 4.46Å; I74-I188 WeakPolarHBondContact O-CD1 3.41Å; L176-I188 HydrophobicContact CD2-CD1 4.37Å; L176-I188 HydrophobicContact CD2-CG1 4.04Å; R184-I188 HydrophobicContact CB-CD1 4.46Å; R184-I188 WeakPolarHBondContact O-CB 3.48Å; R184-I188 WeakPolarHBondContact O-CD1 3.11Å; R184-I188 WeakPolarHBondContact O-CG1 3.24Å; R184-I188 PolarHBondContact O-N 3.19Å; K186-I188 VanDerWaalsContact C-N 3.28Å; K186-I188 PolarHBondContact O-N 3.21Å; I188-N192 VanDerWaalsContact O-CB 3.28Å; I188-N192 WeakPolarHBondContact O-CB 3.07Å; I188-N192 PolarHBondContact O-N 3.45Å; I188-N192 PolarHBondContact O-ND2 2.84Å |
| 189 | K | 70.1 | Confident | 69.9 | Low | 138 Ų | 138 | 70.8 Ų | 70.8 | 60% | 0.6 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.4 | -45.3 | 170.9 | -77.5 | 177.1 | 175 | -172.3 | 0 | 111.7 | R185 K186 N192 H193 | R185-K189 WeakPolarHBondContact O-CG 3.42Å; R185-K189 PolarHBondContact O-N 2.86Å; R185-K189 VanDerWaalsContact O-N 3.07Å; K186-K189 WeakPolarHBondContact O-CB 3.46Å; K186-K189 PolarHBondContact O-N 2.82Å; K186-K189 VanDerWaalsContact O-N 3.13Å; K189-N192 PolarHBondContact O-N 2.74Å; K189-H193 WeakPolarHBondContact O-CB 3.24Å; K189-H193 PolarHBondContact O-N 3.33Å |
| 190 | E | 71.7 | Confident | 70.8 | Confident | 94 Ų | 94 | 64.5 Ų | 64.5 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -59.6 | -48.9 | 176.2 | -72.4 | 169.4 | -171 | 0 | 0 | 110.6 | K186 I187 H193 E194 | K186-E190 WeakPolarHBondContact CE-OE1 3.42Å; K186-E190 WeakPolarHBondContact CG-OE1 3.42Å; K186-E190 WeakPolarHBondContact O-CG 3.38Å; K186-E190 PolarHBondContact O-N 2.88Å; I187-E190 PolarHBondContact O-N 3.4Å; E190-H193 PolarHBondContact O-N 3.12Å; E190-E194 WeakPolarHBondContact O-CG 3.35Å; E190-E194 PolarHBondContact O-N 2.95Å |
| 191 | W | 75.4 | Confident | 71.4 | Confident | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.3 | -51.1 | 173.2 | 174.5 | -107.2 | 0 | 0 | 0 | 112.2 | P76 E78 L115 W151 M169 Y171 L172 I187 H193 E194 R195 | P76-W191 VanDerWaalsContact CB-CD1 3.42Å; P76-W191 HydrophobicContact CB-CG 4.24Å; E78-W191 HydrophobicContact CB-CZ2 4.18Å; E78-W191 HydrophobicContact CG-CZ2 4.25Å; E78-W191 PolarHBondContact OE2-NE1 3.13Å; L115-W191 HydrophobicContact CD1-CZ2 4.44Å; W151-W191 HydrophobicContact CD2-CZ3 4.49Å; W151-W191 HydrophobicContact CE3-CZ3 4.07Å; W151-W191 HydrophobicContact CH2-CZ3 4.49Å; W151-W191 HydrophobicContact CZ3-CZ3 4.12Å; M169-W191 HydrophobicContact CE-CD2 4.11Å; M169-W191 HydrophobicContact CE-CG 4.27Å; M169-W191 HydrophobicContact CE-CZ2 4.11Å; M169-W191 HydrophobicContact SD-CH2 4.25Å; M169-W191 HydrophobicContact SD-CZ2 3.7Å; Y171-W191 VanDerWaalsContact OH-CE3 3.31Å; Y171-W191 WeakPolarHBondContact OH-CZ3 3.36Å; L172-W191 HydrophobicContact CD1-CB 4.07Å; L172-W191 HydrophobicContact CD1-CD2 4.17Å; L172-W191 HydrophobicContact CD1-CE3 4.3Å; L172-W191 HydrophobicContact CD1-CG 4.07Å; I187-W191 PolarHBondContact O-N 2.79Å; W191-H193 PolarHBondContact O-N 3.42Å; W191-E194 PolarHBondContact O-N 2.8Å; W191-E194 VanDerWaalsContact O-N 3.17Å; W191-R195 HydrophobicContact CD2-CB 4.43Å; W191-R195 HydrophobicContact CZ2-CB 4.37Å; W191-R195 HydrophobicContact CZ2-CG 4.44Å; W191-R195 WeakPolarHBondContact O-CB 3.48Å; W191-R195 PolarHBondContact O-N 2.86Å |
| 192 | N | 69.1 | Low | 72.2 | Confident | 58 Ų | 58 | 57.6 Ų | 57.6 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -30.5 | -177.5 | -74.2 | -22.5 | 0 | 0 | 0 | 112.4 | I188 K189 N196 | I188-N192 VanDerWaalsContact O-CB 3.28Å; I188-N192 WeakPolarHBondContact O-CB 3.07Å; I188-N192 PolarHBondContact O-N 3.45Å; I188-N192 PolarHBondContact O-ND2 2.84Å; K189-N192 PolarHBondContact O-N 2.74Å; N192-N196 WeakPolarHBondContact O-CB 3.23Å; N192-N196 PolarHBondContact O-N 2.85Å; N192-N196 VanDerWaalsContact O-N 3.1Å; N192-N196 PolarHBondContact O-ND2 2.67Å; N192-N196 PolarHBondContact O-OD1 3.32Å |
| 193 | H | 68.5 | Low | 72.8 | Confident | 125 Ų | 125 | 51.6 Ų | 51.6 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -69.6 | -52.3 | 171.9 | -176.7 | 80.1 | 0 | 0 | 0 | 111.8 | K189 E190 W191 R195 N196 I197 | K189-H193 WeakPolarHBondContact O-CB 3.24Å; K189-H193 PolarHBondContact O-N 3.33Å; E190-H193 PolarHBondContact O-N 3.12Å; W191-H193 PolarHBondContact O-N 3.42Å; H193-R195 VanDerWaalsContact C-N 3.33Å; H193-R195 PolarHBondContact O-N 2.85Å; H193-N196 PolarHBondContact O-N 2.62Å; H193-I197 WeakPolarHBondContact O-CG1 3.44Å; H193-I197 PolarHBondContact O-N 3.02Å |
| 194 | E | 73.4 | Confident | 73.2 | Confident | 57 Ų | 57 | 51 Ų | 51 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.6 | -40.7 | 178.1 | -66 | -174.5 | 120.5 | 0 | 0 | 111.7 | K150 W151 E190 W191 N196 I197 I198 | K150-E194 IonicContact NZ-OE1 2.78Å; K150-E194 PolarHBondContact NZ-OE1 3.5Å; K150-E194 IonicContact NZ-OE2 3.54Å; W151-E194 WeakPolarHBondContact CH2-OE2 3.39Å; W151-E194 HydrophobicContact CZ2-CB 3.94Å; W151-E194 HydrophobicContact CZ2-CG 4.14Å; W151-E194 VanDerWaalsContact CZ2-OE1 3.32Å; W151-E194 WeakPolarHBondContact CZ2-OE1 3.44Å; W151-E194 VanDerWaalsContact CZ2-OE2 3.28Å; W151-E194 WeakPolarHBondContact CZ2-OE2 3.26Å; E190-E194 WeakPolarHBondContact O-CG 3.35Å; E190-E194 PolarHBondContact O-N 2.95Å; W191-E194 PolarHBondContact O-N 2.8Å; W191-E194 VanDerWaalsContact O-N 3.17Å; E194-N196 PolarHBondContact O-N 3Å; E194-I197 WeakPolarHBondContact O-CB 3.34Å; E194-I197 PolarHBondContact O-N 3.36Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.41Å; E194-I198 PolarHBondContact O-N 3.18Å |
| 195 | R | 74.7 | Confident | 74 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.011 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.4 | -46.6 | 172.5 | -178.6 | -157.9 | -177.1 | -68.7 | -19.6 | 112.6 | E78 L112 P113 L115 W191 H193 I197 I198 A199 | E78-R195 IonicContact OE1-CZ 3.04Å; E78-R195 IonicContact OE1-NE 2.65Å; E78-R195 PolarHBondContact OE1-NE 2.82Å; E78-R195 IonicContact OE1-NH2 3.22Å; E78-R195 PolarHBondContact OE1-NH2 3.48Å; E78-R195 IonicContact OE2-NE 2.62Å; E78-R195 PolarHBondContact OE2-NE 3.19Å; L112-R195 VanDerWaalsContact CD2-NH2 3.32Å; P113-R195 PolarHBondContact O-NH2 3.35Å; L115-R195 HydrophobicContact CD1-CG 3.87Å; L115-R195 HydrophobicContact CG-CG 4.46Å; W191-R195 HydrophobicContact CD2-CB 4.43Å; W191-R195 HydrophobicContact CZ2-CB 4.37Å; W191-R195 HydrophobicContact CZ2-CG 4.44Å; W191-R195 WeakPolarHBondContact O-CB 3.48Å; W191-R195 PolarHBondContact O-N 2.86Å; H193-R195 VanDerWaalsContact C-N 3.33Å; H193-R195 PolarHBondContact O-N 2.85Å; R195-I197 VanDerWaalsContact C-N 3.34Å; R195-I198 PolarHBondContact O-N 2.99Å; R195-A199 PolarHBondContact O-N 3.47Å |
| 196 | N | 69.5 | Low | 74.7 | Confident | 53 Ų | 53 | 40.7 Ų | 40.7 | 28% | 0.283 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.7 | -36 | 178.4 | -74.5 | -4.5 | 0 | 0 | 0 | 111.2 | N192 H193 E194 A199 W200 | N192-N196 WeakPolarHBondContact O-CB 3.23Å; N192-N196 PolarHBondContact O-N 2.85Å; N192-N196 VanDerWaalsContact O-N 3.1Å; N192-N196 PolarHBondContact O-ND2 2.67Å; N192-N196 PolarHBondContact O-OD1 3.32Å; H193-N196 PolarHBondContact O-N 2.62Å; E194-N196 PolarHBondContact O-N 3Å; N196-A199 PolarHBondContact O-N 2.79Å; N196-W200 VanDerWaalsContact O-CB 3.25Å; N196-W200 WeakPolarHBondContact O-CB 3.45Å; N196-W200 PolarHBondContact O-N 3.4Å |
| 197 | I | 73.4 | Confident | 75.1 | Confident | 54 Ų | 54 | 35.4 Ų | 35.4 | 28% | 0.277 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 171.9 | -67 | 165.8 | 0 | 0 | 0 | 111 | V146 H193 E194 R195 W200 I201 | V146-I197 HydrophobicContact CG1-CG2 4.12Å; V146-I197 HydrophobicContact CG2-CG2 4.29Å; H193-I197 WeakPolarHBondContact O-CG1 3.44Å; H193-I197 PolarHBondContact O-N 3.02Å; E194-I197 WeakPolarHBondContact O-CB 3.34Å; E194-I197 PolarHBondContact O-N 3.36Å; R195-I197 VanDerWaalsContact C-N 3.34Å; I197-W200 PolarHBondContact O-N 3.07Å; I197-I201 HydrophobicContact CG2-CD1 3.8Å; I197-I201 WeakPolarHBondContact O-CD1 3.29Å; I197-I201 VanDerWaalsContact O-CG1 3.25Å; I197-I201 WeakPolarHBondContact O-CG1 3.24Å; I197-I201 PolarHBondContact O-N 2.9Å |
| 198 | I | 78.8 | Confident | 75.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -48.1 | 175.7 | -62.1 | 160.4 | 0 | 0 | 0 | 110.4 | L115 L148 W151 Y152 E194 R195 W200 I201 L202 | L115-I198 HydrophobicContact CD1-CD1 4.47Å; L115-I198 HydrophobicContact CD1-CG2 4.34Å; L115-I198 HydrophobicContact CD2-CB 4.22Å; L115-I198 HydrophobicContact CD2-CG2 3.72Å; L148-I198 HydrophobicContact CD2-CG1 4.28Å; L148-I198 HydrophobicContact CD2-CG2 4.36Å; W151-I198 HydrophobicContact CB-CD1 4.09Å; W151-I198 HydrophobicContact CD2-CD1 4.18Å; W151-I198 HydrophobicContact CG-CD1 3.6Å; W151-I198 HydrophobicContact CG-CG1 4.36Å; Y152-I198 HydrophobicContact CE2-CG2 4.23Å; E194-I198 VanDerWaalsContact O-CG1 3.29Å; E194-I198 WeakPolarHBondContact O-CG1 3.41Å; E194-I198 PolarHBondContact O-N 3.18Å; R195-I198 PolarHBondContact O-N 2.99Å; I198-W200 VanDerWaalsContact C-N 3.34Å; I198-W200 PolarHBondContact O-N 3.05Å; I198-I201 WeakPolarHBondContact O-CB 3.28Å; I198-I201 PolarHBondContact O-N 3.22Å; I198-L202 HydrophobicContact CG2-CD1 4.06Å; I198-L202 HydrophobicContact CG2-CG 4.35Å; I198-L202 WeakPolarHBondContact O-CG 3.48Å; I198-L202 PolarHBondContact O-N 3.46Å |
| 199 | A | 73.6 | Confident | 76.3 | Confident | 8 Ų | 8 | 35.3 Ų | 35.3 | 7% | 0.066 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P113 L115 R195 N196 L202 Y203 | P113-A199 HydrophobicContact CB-CB 4.01Å; P113-A199 HydrophobicContact CG-CB 3.57Å; L115-A199 HydrophobicContact CD2-CB 4.05Å; R195-A199 PolarHBondContact O-N 3.47Å; N196-A199 PolarHBondContact O-N 2.79Å; A199-L202 PolarHBondContact O-N 3.23Å; A199-Y203 WeakPolarHBondContact O-CB 3.4Å; A199-Y203 PolarHBondContact O-N 2.82Å |
| 200 | W | 74.4 | Confident | 76.8 | Confident | 47 Ų | 47 | 30.7 Ų | 30.7 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | 175.2 | -175.4 | 84.3 | 0 | 0 | 0 | 112.2 | Y139 L143 N196 I197 I198 Y203 H204 L293 | Y139-W200 AromaticContact CD1-CH2 3.46Å; Y139-W200 HydrophobicContact CD1-CH2 3.46Å; Y139-W200 VanDerWaalsContact CD1-CH2 3.46Å; Y139-W200 AromaticContact CD1-CZ2 3.83Å; Y139-W200 HydrophobicContact CD1-CZ2 3.83Å; Y139-W200 HydrophobicContact CD2-CH2 4.1Å; Y139-W200 AromaticContact CE1-CH2 3.94Å; Y139-W200 HydrophobicContact CE1-CH2 3.94Å; Y139-W200 AromaticContact CE1-CZ2 3.81Å; Y139-W200 HydrophobicContact CE1-CZ2 3.81Å; Y139-W200 AromaticContact CG-CH2 3.53Å; Y139-W200 HydrophobicContact CG-CH2 3.53Å; Y139-W200 HydrophobicContact CG-CZ2 4.21Å; Y139-W200 HydrophobicContact CG-CZ3 4.39Å; L143-W200 HydrophobicContact CD1-CZ3 4.29Å; L143-W200 HydrophobicContact CD2-CE3 4.46Å; L143-W200 HydrophobicContact CD2-CZ3 3.91Å; L143-W200 HydrophobicContact CG-CZ3 4.26Å; N196-W200 VanDerWaalsContact O-CB 3.25Å; N196-W200 WeakPolarHBondContact O-CB 3.45Å; N196-W200 PolarHBondContact O-N 3.4Å; I197-W200 PolarHBondContact O-N 3.07Å; I198-W200 VanDerWaalsContact C-N 3.34Å; I198-W200 PolarHBondContact O-N 3.05Å; W200-Y203 PolarHBondContact O-N 2.98Å; W200-H204 AromaticContact CD1-CD2 3.46Å; W200-H204 VanDerWaalsContact CD1-CD2 3.46Å; W200-H204 AromaticContact CD1-NE2 3.49Å; W200-H204 AromaticContact CD2-CD2 3.75Å; W200-H204 AromaticContact CE2-CD2 3.28Å; W200-H204 AromaticContact CE2-NE2 3.67Å; W200-H204 AromaticContact CG-CD2 3.83Å; W200-H204 AromaticContact CZ2-CD2 3.76Å; W200-H204 AromaticContact NE1-CD2 3.1Å; W200-H204 PolarHBondContact NE1-CD2 3.47Å; W200-H204 AromaticContact NE1-NE2 3.03Å; W200-H204 PolarHBondContact NE1-NE2 3.1Å; W200-H204 PolarHBondContact O-CD2 2.75Å; W200-H204 PolarHBondContact O-N 3.38Å; W200-L293 HydrophobicContact CH2-CD1 3.41Å; W200-L293 VanDerWaalsContact CH2-CD1 3.41Å; W200-L293 HydrophobicContact CZ2-CD1 3.34Å; W200-L293 HydrophobicContact CZ3-CD1 4.33Å |
| 201 | I | 77.3 | Confident | 77.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.9 | -51 | 173.6 | -71.6 | 163.4 | 0 | 0 | 0 | 111.2 | M131 L143 V146 L148 I197 I198 Y203 I205 | M131-I201 HydrophobicContact CE-CD1 4.01Å; M131-I201 HydrophobicContact CE-CG1 4.45Å; M131-I201 HydrophobicContact CE-CG2 3.93Å; M131-I201 HydrophobicContact CG-CG2 4.27Å; M131-I201 HydrophobicContact SD-CG2 3.57Å; M131-I201 VanDerWaalsContact SD-CG2 3.57Å; L143-I201 HydrophobicContact CD1-CG1 4.12Å; L143-I201 HydrophobicContact CD2-CD1 3.63Å; L143-I201 HydrophobicContact CD2-CG1 3.48Å; L143-I201 VanDerWaalsContact CD2-CG1 3.48Å; L143-I201 HydrophobicContact CG-CG1 4.45Å; V146-I201 HydrophobicContact CB-CD1 4.14Å; V146-I201 HydrophobicContact CG1-CD1 3.59Å; L148-I201 HydrophobicContact CD1-CG2 4.01Å; L148-I201 HydrophobicContact CD2-CD1 4.04Å; L148-I201 HydrophobicContact CD2-CG2 4.35Å; I197-I201 HydrophobicContact CG2-CD1 3.8Å; I197-I201 WeakPolarHBondContact O-CD1 3.29Å; I197-I201 VanDerWaalsContact O-CG1 3.25Å; I197-I201 WeakPolarHBondContact O-CG1 3.24Å; I197-I201 PolarHBondContact O-N 2.9Å; I198-I201 WeakPolarHBondContact O-CB 3.28Å; I198-I201 PolarHBondContact O-N 3.22Å; I201-Y203 VanDerWaalsContact C-N 3.26Å; I201-Y203 PolarHBondContact O-N 3.31Å; I201-I205 HydrophobicContact CG2-CG1 4.2Å; I201-I205 VanDerWaalsContact O-CB 3.26Å; I201-I205 WeakPolarHBondContact O-CB 3.25Å; I201-I205 WeakPolarHBondContact O-CG1 3.44Å; I201-I205 PolarHBondContact O-N 2.97Å |
| 202 | L | 81.5 | Confident | 77.8 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -36.2 | -179.9 | -66 | 178.8 | 0 | 0 | 0 | 111.4 | L115 P116 I119 I127 I198 A199 G206 L223 | L115-L202 HydrophobicContact CD2-CD1 4.16Å; P116-L202 HydrophobicContact CG-CD1 3.84Å; I119-L202 HydrophobicContact CD1-CD2 4.23Å; I127-L202 HydrophobicContact CD1-CD2 3.99Å; I198-L202 HydrophobicContact CG2-CD1 4.06Å; I198-L202 HydrophobicContact CG2-CG 4.35Å; I198-L202 WeakPolarHBondContact O-CG 3.48Å; I198-L202 PolarHBondContact O-N 3.46Å; A199-L202 PolarHBondContact O-N 3.23Å; L202-G206 VanDerWaalsContact O-CA 3.27Å; L202-G206 WeakPolarHBondContact O-CA 3.29Å; L202-G206 PolarHBondContact O-N 3.18Å; L202-L223 HydrophobicContact CD2-CD2 4.39Å |
| 203 | Y | 78.1 | Confident | 78.4 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.4 | -63.1 | 173.7 | -175.5 | -115.1 | 0 | 0 | 0 | 112.3 | A199 W200 I201 G206 N207 F220 V224 L319 | A199-Y203 WeakPolarHBondContact O-CB 3.4Å; A199-Y203 PolarHBondContact O-N 2.82Å; W200-Y203 PolarHBondContact O-N 2.98Å; I201-Y203 VanDerWaalsContact C-N 3.26Å; I201-Y203 PolarHBondContact O-N 3.31Å; Y203-G206 PolarHBondContact O-N 3.44Å; Y203-N207 WeakPolarHBondContact O-CB 3.43Å; Y203-N207 PolarHBondContact O-N 2.89Å; Y203-F220 HydrophobicContact CD2-CZ 4.2Å; Y203-F220 HydrophobicContact CE2-CZ 4.07Å; Y203-V224 HydrophobicContact CD2-CB 4.42Å; Y203-V224 HydrophobicContact CD2-CG1 3.49Å; Y203-V224 VanDerWaalsContact CD2-CG1 3.49Å; Y203-V224 HydrophobicContact CD2-CG2 3.96Å; Y203-V224 HydrophobicContact CE2-CG1 3.89Å; Y203-L319 HydrophobicContact CE2-CD2 4.04Å |
| 204 | H | 77.4 | Confident | 79.2 | Confident | 23 Ų | 23 | 39 Ų | 39 | 11% | 0.106 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.8 | -36.3 | -171 | -70.9 | -69.6 | 0 | 0 | 0 | 113.3 | Y139 W200 L208 D316 | Y139-H204 HydrophobicContact CD2-CB 4.25Å; Y139-H204 HydrophobicContact CE2-CB 3.77Å; W200-H204 AromaticContact CD1-CD2 3.46Å; W200-H204 VanDerWaalsContact CD1-CD2 3.46Å; W200-H204 AromaticContact CD1-NE2 3.49Å; W200-H204 AromaticContact CD2-CD2 3.75Å; W200-H204 AromaticContact CE2-CD2 3.28Å; W200-H204 AromaticContact CE2-NE2 3.67Å; W200-H204 AromaticContact CG-CD2 3.83Å; W200-H204 AromaticContact CZ2-CD2 3.76Å; W200-H204 AromaticContact NE1-CD2 3.1Å; W200-H204 PolarHBondContact NE1-CD2 3.47Å; W200-H204 AromaticContact NE1-NE2 3.03Å; W200-H204 PolarHBondContact NE1-NE2 3.1Å; W200-H204 PolarHBondContact O-CD2 2.75Å; W200-H204 PolarHBondContact O-N 3.38Å; H204-L208 WeakPolarHBondContact O-CB 3.48Å; H204-L208 PolarHBondContact O-N 3.03Å; H204-D316 IonicContact CE1-OD2 3.28Å |
| 205 | I | 84.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -78.7 | -33.9 | 176.4 | -52.1 | -61.8 | 0 | 0 | 0 | 110.9 | I127 R130 M131 N137 L143 I201 N207 L208 C209 | I127-I205 HydrophobicContact CB-CG2 4.3Å; I127-I205 HydrophobicContact CG1-CG2 4.46Å; I127-I205 HydrophobicContact CG2-CB 4.26Å; I127-I205 HydrophobicContact CG2-CG2 3.9Å; R130-I205 HydrophobicContact CB-CG2 4.09Å; M131-I205 HydrophobicContact CG-CD1 4.36Å; M131-I205 HydrophobicContact CG-CG1 3.88Å; M131-I205 HydrophobicContact CG-CG2 4.25Å; N137-I205 WeakPolarHBondContact OD1-CD1 3.44Å; L143-I205 HydrophobicContact CD1-CD1 3.89Å; L143-I205 HydrophobicContact CD1-CG1 4Å; I201-I205 HydrophobicContact CG2-CG1 4.2Å; I201-I205 VanDerWaalsContact O-CB 3.26Å; I201-I205 WeakPolarHBondContact O-CB 3.25Å; I201-I205 WeakPolarHBondContact O-CG1 3.44Å; I201-I205 PolarHBondContact O-N 2.97Å; I205-N207 VanDerWaalsContact C-N 3.35Å; I205-L208 WeakPolarHBondContact O-CB 3.34Å; I205-L208 PolarHBondContact O-N 3.45Å; I205-C209 WeakPolarHBondContact O-CB 3.25Å; I205-C209 PolarHBondContact O-N 3.29Å; I205-C209 PolarHBondContact O-SG 3.33Å |
| 206 | G | 82.3 | Confident | 80.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L202 Y203 L208 C209 L210 F220 | L202-G206 VanDerWaalsContact O-CA 3.27Å; L202-G206 WeakPolarHBondContact O-CA 3.29Å; L202-G206 PolarHBondContact O-N 3.18Å; Y203-G206 PolarHBondContact O-N 3.44Å; G206-L208 VanDerWaalsContact C-N 3.35Å; G206-C209 PolarHBondContact O-N 3.2Å; G206-L210 WeakPolarHBondContact O-CB 3.49Å; G206-L210 PolarHBondContact O-N 3.33Å; G206-F220 VanDerWaalsContact C-CD2 3.42Å |
| 207 | N | 80.3 | Confident | 80.5 | Confident | 19 Ų | 19 | 43.9 Ų | 43.9 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.6 | -35.6 | 178.1 | -165.9 | -15.1 | 0 | 0 | 0 | 110.9 | Y203 I205 L210 R211 F220 | Y203-N207 WeakPolarHBondContact O-CB 3.43Å; Y203-N207 PolarHBondContact O-N 2.89Å; I205-N207 VanDerWaalsContact C-N 3.35Å; N207-L210 PolarHBondContact O-N 3.46Å; N207-R211 WeakPolarHBondContact O-CB 3.46Å; N207-R211 WeakPolarHBondContact O-CD 3.43Å; N207-R211 WeakPolarHBondContact O-CG 3.45Å; N207-R211 PolarHBondContact O-N 2.93Å; N207-R211 PolarHBondContact OD1-NE 3.2Å; N207-R211 PolarHBondContact OD1-NH2 3.49Å; N207-F220 HydrophobicContact CB-CE2 3.74Å; N207-F220 HydrophobicContact CB-CZ 3.98Å |
| 208 | L | 83 | Confident | 80.8 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -51.7 | 169.7 | -165.6 | 105 | 0 | 0 | 0 | 111.3 | R130 C136 H204 I205 G206 L210 R211 E212 | R130-L208 HydrophobicContact CB-CD2 3.98Å; R130-L208 HydrophobicContact CG-CD2 4.27Å; C136-L208 WeakPolarHBondContact O-CD1 3.45Å; H204-L208 WeakPolarHBondContact O-CB 3.48Å; H204-L208 PolarHBondContact O-N 3.03Å; I205-L208 WeakPolarHBondContact O-CB 3.34Å; I205-L208 PolarHBondContact O-N 3.45Å; G206-L208 VanDerWaalsContact C-N 3.35Å; L208-L210 VanDerWaalsContact C-N 3.29Å; L208-L210 PolarHBondContact O-N 2.8Å; L208-R211 PolarHBondContact O-N 2.88Å; L208-E212 WeakPolarHBondContact CD2-OE2 3.5Å; L208-E212 WeakPolarHBondContact O-CB 3.36Å; L208-E212 WeakPolarHBondContact O-CG 3.21Å; L208-E212 PolarHBondContact O-N 2.9Å |
| 209 | C | 84.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -36.2 | 178 | -69.9 | 0 | 0 | 0 | 0 | 112.5 | C126 I205 G206 E212 N213 L214 I215 | C126-C209 VanDerWaalsContact SG-SG 3.69Å; I205-C209 WeakPolarHBondContact O-CB 3.25Å; I205-C209 PolarHBondContact O-N 3.29Å; I205-C209 PolarHBondContact O-SG 3.33Å; G206-C209 PolarHBondContact O-N 3.2Å; C209-E212 CarbonylContact O-C 3.49Å; C209-E212 PolarHBondContact O-N 3.36Å; C209-N213 PolarHBondContact O-N 3.37Å; C209-L214 HydrophobicContact CB-CB 4.2Å; C209-L214 HydrophobicContact CB-CD1 4.34Å; C209-L214 PolarHBondContact O-N 3.15Å; C209-I215 HydrophobicContact CB-CD1 3.97Å; C209-I215 HydrophobicContact CB-CG1 3.83Å; C209-I215 HydrophobicContact CB-CG2 4.12Å |
| 210 | L | 82.4 | Confident | 81.4 | Confident | 41 Ų | 41 | 52.1 Ų | 52.1 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.2 | -48.3 | 174.1 | 179.7 | 64.7 | 0 | 0 | 0 | 111.3 | G206 N207 L208 E212 N213 I215 E217 F220 | G206-L210 WeakPolarHBondContact O-CB 3.49Å; G206-L210 PolarHBondContact O-N 3.33Å; N207-L210 PolarHBondContact O-N 3.46Å; L208-L210 VanDerWaalsContact C-N 3.29Å; L208-L210 PolarHBondContact O-N 2.8Å; L210-E212 PolarHBondContact O-N 3.47Å; L210-N213 PolarHBondContact O-N 2.62Å; L210-I215 HydrophobicContact CB-CG1 4.35Å; L210-E217 HydrophobicContact CD1-CB 4.24Å; L210-F220 HydrophobicContact CB-CB 4.33Å; L210-F220 HydrophobicContact CB-CD2 4.46Å; L210-F220 HydrophobicContact CB-CG 4.36Å; L210-F220 HydrophobicContact CD1-CB 4.34Å; L210-F220 HydrophobicContact CD2-CB 3.94Å; L210-F220 HydrophobicContact CD2-CD1 3.65Å; L210-F220 HydrophobicContact CD2-CD2 4.43Å; L210-F220 HydrophobicContact CD2-CE1 4.26Å; L210-F220 HydrophobicContact CD2-CG 3.73Å; L210-F220 HydrophobicContact CG-CB 4.44Å |
| 211 | R | 81.2 | Confident | 81.4 | Confident | 174 Ų | 174 | 53.5 Ų | 53.5 | 66% | 0.657 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.2 | -28.6 | 176.5 | -71 | 168.9 | -172 | -150.6 | -4.3 | 113 | N207 L208 | N207-R211 WeakPolarHBondContact O-CB 3.46Å; N207-R211 WeakPolarHBondContact O-CD 3.43Å; N207-R211 WeakPolarHBondContact O-CG 3.45Å; N207-R211 PolarHBondContact O-N 2.93Å; N207-R211 PolarHBondContact OD1-NE 3.2Å; N207-R211 PolarHBondContact OD1-NH2 3.49Å; L208-R211 PolarHBondContact O-N 2.88Å |
| 212 | E | 84.8 | Confident | 81.3 | Confident | 64 Ų | 64 | 56 Ų | 56 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 5 | 174.4 | -67.3 | -172.4 | 113.1 | 0 | 0 | 113.6 | R130 L208 C209 L210 L214 | R130-E212 IonicContact CZ-OE1 3.11Å; R130-E212 IonicContact CZ-OE2 3.07Å; R130-E212 IonicContact NE-OE2 3.11Å; R130-E212 PolarHBondContact NE-OE2 3.44Å; R130-E212 VanDerWaalsContact NH1-CD 3.32Å; R130-E212 IonicContact NH1-OE1 3.06Å; R130-E212 PolarHBondContact NH1-OE1 3.39Å; R130-E212 IonicContact NH1-OE2 2.71Å; R130-E212 PolarHBondContact NH1-OE2 3.01Å; R130-E212 IonicContact NH2-OE1 3.41Å; R130-E212 PolarHBondContact NH2-OE1 2.9Å; R130-E212 IonicContact NH2-OE2 2.92Å; R130-E212 PolarHBondContact NH2-OE2 2.98Å; R130-E212 VanDerWaalsContact NH2-OE2 3.09Å; L208-E212 WeakPolarHBondContact CD2-OE2 3.5Å; L208-E212 WeakPolarHBondContact O-CB 3.36Å; L208-E212 WeakPolarHBondContact O-CG 3.21Å; L208-E212 PolarHBondContact O-N 2.9Å; C209-E212 CarbonylContact O-C 3.49Å; C209-E212 PolarHBondContact O-N 3.36Å; L210-E212 PolarHBondContact O-N 3.47Å; E212-L214 HydrophobicContact CB-CD1 3.96Å; E212-L214 HydrophobicContact CB-CD2 4.37Å; E212-L214 HydrophobicContact CB-CG 3.76Å; E212-L214 PolarHBondContact O-N 3.03Å |
| 213 | N | 82.7 | Confident | 81.2 | Confident | 145 Ų | 145 | 56.2 Ų | 56.2 | 78% | 0.775 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 31 | -176.8 | -62.8 | -61.7 | 0 | 0 | 0 | 114.9 | C209 L210 | C209-N213 PolarHBondContact O-N 3.37Å; L210-N213 PolarHBondContact O-N 2.62Å |
| 214 | L | 84.4 | Confident | 81 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 39% | 0.387 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -88.6 | -23 | 178 | -47.7 | 174.3 | 0 | 0 | 0 | 112.9 | C126 R130 C209 E212 | C126-L214 VanDerWaalsContact SG-CB 3.53Å; R130-L214 HydrophobicContact CG-CD1 3.81Å; C209-L214 HydrophobicContact CB-CB 4.2Å; C209-L214 HydrophobicContact CB-CD1 4.34Å; C209-L214 PolarHBondContact O-N 3.15Å; E212-L214 HydrophobicContact CB-CD1 3.96Å; E212-L214 HydrophobicContact CB-CD2 4.37Å; E212-L214 HydrophobicContact CB-CG 3.76Å; E212-L214 PolarHBondContact O-N 3.03Å |
| 215 | I | 85.8 | Confident | 80.7 | Confident | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.051 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -132.1 | 152.2 | 171.9 | 69.8 | 173.8 | 0 | 0 | 0 | 108 | I123 C209 L210 D219 F220 L223 | I123-I215 HydrophobicContact CG1-CG2 4.5Å; I123-I215 HydrophobicContact CG2-CG2 4.33Å; C209-I215 HydrophobicContact CB-CD1 3.97Å; C209-I215 HydrophobicContact CB-CG1 3.83Å; C209-I215 HydrophobicContact CB-CG2 4.12Å; L210-I215 HydrophobicContact CB-CG1 4.35Å; I215-D219 HydrophobicContact CB-CB 3.88Å; I215-D219 HydrophobicContact CD1-CB 4.45Å; I215-D219 HydrophobicContact CG1-CB 4.44Å; I215-F220 HydrophobicContact CD1-CB 4.11Å; I215-L223 HydrophobicContact CD1-CD1 3.73Å |
| 216 | T | 83.7 | Confident | 80.1 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 46% | 0.46 | 29% | 0.287 | S | S | . | . | trans | -78.2 | 167.7 | 177.3 | 70.7 | 0 | 0 | 0 | 0 | 111.8 | Q218 D219 F220 | T216-Q218 PolarHBondContact O-N 2.93Å; T216-Q218 PolarHBondContact OG1-N 3.09Å; T216-D219 VanDerWaalsContact CB-OD2 3.29Å; T216-D219 WeakPolarHBondContact CB-OD2 3.4Å; T216-D219 WeakPolarHBondContact CG2-OD2 3.45Å; T216-D219 PolarHBondContact N-OD2 2.93Å; T216-D219 WeakPolarHBondContact O-CB 3.48Å; T216-D219 PolarHBondContact O-N 3.25Å; T216-D219 PolarHBondContact OG1-N 2.95Å; T216-D219 VanDerWaalsContact OG1-N 3.15Å; T216-D219 PolarHBondContact OG1-OD2 2.86Å; T216-F220 PolarHBondContact O-N 3.35Å | ||
| 217 | E | 76.8 | Confident | 79.7 | Confident | 130 Ų | 130 | 56.8 Ų | 56.8 | 61% | 0.607 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.9 | -31.6 | 171.2 | -159 | -164.8 | 143.8 | 0 | 0 | 112 | L210 F220 N221 | L210-E217 HydrophobicContact CD1-CB 4.24Å; E217-F220 PolarHBondContact O-N 2.56Å; E217-N221 VanDerWaalsContact O-CB 3.29Å; E217-N221 WeakPolarHBondContact O-CB 3.49Å; E217-N221 PolarHBondContact O-N 3.32Å; E217-N221 PolarHBondContact O-ND2 3.23Å; E217-N221 VanDerWaalsContact O-ND2 3.13Å |
| 218 | Q | 78.7 | Confident | 79.3 | Confident | 164 Ų | 164 | 56.1 Ų | 56.1 | 77% | 0.766 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67.8 | -41.4 | 175.4 | -63.3 | -175.1 | -2.5 | 0 | 0 | 111.3 | T216 N221 A222 | T216-Q218 PolarHBondContact O-N 2.93Å; T216-Q218 PolarHBondContact OG1-N 3.09Å; Q218-N221 PolarHBondContact O-N 3.11Å; Q218-A222 WeakPolarHBondContact O-CB 3.34Å; Q218-A222 PolarHBondContact O-N 2.88Å |
| 219 | D | 81.5 | Confident | 78.8 | Confident | 48 Ų | 48 | 56 Ų | 56 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 174.4 | -58.5 | -52 | 0 | 0 | 0 | 111.2 | I123 I215 T216 A222 L223 | I123-D219 HydrophobicContact CD1-CB 3.94Å; I123-D219 WeakPolarHBondContact CD1-OD1 3.36Å; I215-D219 HydrophobicContact CB-CB 3.88Å; I215-D219 HydrophobicContact CD1-CB 4.45Å; I215-D219 HydrophobicContact CG1-CB 4.44Å; T216-D219 VanDerWaalsContact CB-OD2 3.29Å; T216-D219 WeakPolarHBondContact CB-OD2 3.4Å; T216-D219 WeakPolarHBondContact CG2-OD2 3.45Å; T216-D219 PolarHBondContact N-OD2 2.93Å; T216-D219 WeakPolarHBondContact O-CB 3.48Å; T216-D219 PolarHBondContact O-N 3.25Å; T216-D219 PolarHBondContact OG1-N 2.95Å; T216-D219 VanDerWaalsContact OG1-N 3.15Å; T216-D219 PolarHBondContact OG1-OD2 2.86Å; D219-A222 WeakPolarHBondContact O-CB 3.28Å; D219-A222 PolarHBondContact O-N 3.35Å; D219-L223 WeakPolarHBondContact O-CG 3.31Å; D219-L223 PolarHBondContact O-N 3.48Å |
| 220 | F | 83.3 | Confident | 78.2 | Confident | 22 Ų | 22 | 57.5 Ų | 57.5 | 10% | 0.096 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 176.2 | 179.4 | -107.9 | 0 | 0 | 0 | 112 | Y203 G206 N207 L210 I215 T216 E217 A222 L223 V224 | Y203-F220 HydrophobicContact CD2-CZ 4.2Å; Y203-F220 HydrophobicContact CE2-CZ 4.07Å; G206-F220 VanDerWaalsContact C-CD2 3.42Å; N207-F220 HydrophobicContact CB-CE2 3.74Å; N207-F220 HydrophobicContact CB-CZ 3.98Å; L210-F220 HydrophobicContact CB-CB 4.33Å; L210-F220 HydrophobicContact CB-CD2 4.46Å; L210-F220 HydrophobicContact CB-CG 4.36Å; L210-F220 HydrophobicContact CD1-CB 4.34Å; L210-F220 HydrophobicContact CD2-CB 3.94Å; L210-F220 HydrophobicContact CD2-CD1 3.65Å; L210-F220 HydrophobicContact CD2-CD2 4.43Å; L210-F220 HydrophobicContact CD2-CE1 4.26Å; L210-F220 HydrophobicContact CD2-CG 3.73Å; L210-F220 HydrophobicContact CG-CB 4.44Å; I215-F220 HydrophobicContact CD1-CB 4.11Å; T216-F220 PolarHBondContact O-N 3.35Å; E217-F220 PolarHBondContact O-N 2.56Å; F220-A222 VanDerWaalsContact C-N 3.25Å; F220-A222 PolarHBondContact O-N 3.42Å; F220-L223 WeakPolarHBondContact O-CB 3.37Å; F220-L223 PolarHBondContact O-N 2.79Å; F220-L223 VanDerWaalsContact O-N 3.14Å; F220-V224 HydrophobicContact CD2-CG2 3.91Å; F220-V224 HydrophobicContact CE1-CB 4.38Å; F220-V224 HydrophobicContact CE1-CG2 4.33Å; F220-V224 HydrophobicContact CE2-CB 4.3Å; F220-V224 HydrophobicContact CE2-CG2 3.41Å; F220-V224 VanDerWaalsContact CE2-CG2 3.41Å; F220-V224 HydrophobicContact CZ-CB 4.14Å; F220-V224 HydrophobicContact CZ-CG1 4.31Å; F220-V224 HydrophobicContact CZ-CG2 3.67Å; F220-V224 WeakPolarHBondContact O-CB 3.36Å; F220-V224 PolarHBondContact O-N 2.83Å |
| 221 | N | 75.9 | Confident | 77.7 | Confident | 77 Ų | 77 | 55.5 Ų | 55.5 | 41% | 0.412 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.8 | -25.6 | 176.7 | -71.8 | -29.9 | 0 | 0 | 0 | 112.6 | E217 Q218 | E217-N221 VanDerWaalsContact O-CB 3.29Å; E217-N221 WeakPolarHBondContact O-CB 3.49Å; E217-N221 PolarHBondContact O-N 3.32Å; E217-N221 PolarHBondContact O-ND2 3.23Å; E217-N221 VanDerWaalsContact O-ND2 3.13Å; Q218-N221 PolarHBondContact O-N 3.11Å |
| 222 | A | 75.2 | Confident | 77.2 | Confident | 51 Ų | 51 | 47.8 Ų | 47.8 | 42% | 0.421 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -74 | -32.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q218 D219 F220 | Q218-A222 WeakPolarHBondContact O-CB 3.34Å; Q218-A222 PolarHBondContact O-N 2.88Å; D219-A222 WeakPolarHBondContact O-CB 3.28Å; D219-A222 PolarHBondContact O-N 3.35Å; F220-A222 VanDerWaalsContact C-N 3.25Å; F220-A222 PolarHBondContact O-N 3.42Å |
| 223 | L | 78.1 | Confident | 76.5 | Confident | 10 Ų | 10 | 47 Ų | 47 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -76.3 | -40.1 | 173.2 | -66.4 | 167.2 | 0 | 0 | 0 | 112.6 | P116 I119 I123 I127 L202 I215 D219 F220 | P116-L223 HydrophobicContact CG-CD2 4.3Å; I119-L223 HydrophobicContact CD1-CD2 4.2Å; I119-L223 HydrophobicContact CG1-CD2 4.18Å; I119-L223 HydrophobicContact CG2-CD2 4.02Å; I123-L223 HydrophobicContact CG2-CD1 3.87Å; I123-L223 HydrophobicContact CG2-CD2 4.1Å; I123-L223 HydrophobicContact CG2-CG 4.33Å; I127-L223 HydrophobicContact CD1-CD1 3.84Å; I127-L223 HydrophobicContact CD1-CD2 4.05Å; L202-L223 HydrophobicContact CD2-CD2 4.39Å; I215-L223 HydrophobicContact CD1-CD1 3.73Å; D219-L223 WeakPolarHBondContact O-CG 3.31Å; D219-L223 PolarHBondContact O-N 3.48Å; F220-L223 WeakPolarHBondContact O-CB 3.37Å; F220-L223 PolarHBondContact O-N 2.79Å; F220-L223 VanDerWaalsContact O-N 3.14Å |
| 224 | V | 73.6 | Confident | 75.9 | Confident | 22 Ų | 22 | 42 Ų | 42 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -107.7 | 52.9 | -172 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | Y203 F220 T226 | Y203-V224 HydrophobicContact CD2-CB 4.42Å; Y203-V224 HydrophobicContact CD2-CG1 3.49Å; Y203-V224 VanDerWaalsContact CD2-CG1 3.49Å; Y203-V224 HydrophobicContact CD2-CG2 3.96Å; Y203-V224 HydrophobicContact CE2-CG1 3.89Å; F220-V224 HydrophobicContact CD2-CG2 3.91Å; F220-V224 HydrophobicContact CE1-CB 4.38Å; F220-V224 HydrophobicContact CE1-CG2 4.33Å; F220-V224 HydrophobicContact CE2-CB 4.3Å; F220-V224 HydrophobicContact CE2-CG2 3.41Å; F220-V224 VanDerWaalsContact CE2-CG2 3.41Å; F220-V224 HydrophobicContact CZ-CB 4.14Å; F220-V224 HydrophobicContact CZ-CG1 4.31Å; F220-V224 HydrophobicContact CZ-CG2 3.67Å; F220-V224 WeakPolarHBondContact O-CB 3.36Å; F220-V224 PolarHBondContact O-N 2.83Å; V224-T226 PolarHBondContact O-N 2.93Å |
| 225 | L | 71.4 | Confident | 75 | Confident | 23 Ų | 23 | 39.5 Ų | 39.5 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | trans | -86.5 | 112 | 176.2 | -153.8 | 113.1 | 0 | 0 | 0 | 109.3 | R87 L114 H230 | R87-L225 HydrophobicContact CG-CD2 4.24Å; R87-L225 VanDerWaalsContact NE-CD2 3.35Å; L114-L225 WeakPolarHBondContact CB-O 3.41Å; L114-L225 HydrophobicContact CD1-CD2 4.03Å; L114-L225 PolarHBondContact N-O 3.41Å; L225-H230 HydrophobicContact CD1-CB 4.42Å; L225-H230 HydrophobicContact CD2-CB 3.63Å; L225-H230 HydrophobicContact CG-CB 3.95Å | ||
| 226 | T | 73 | Confident | 73.9 | Confident | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -96.3 | 159 | 171.8 | 77.8 | 0 | 0 | 0 | 0 | 110.9 | Y110 L112 V224 F228 S229 H230 | Y110-T226 HydrophobicContact CD1-CG2 3.97Å; Y110-T226 HydrophobicContact CE1-CG2 4.43Å; Y110-T226 WeakPolarHBondContact O-CB 3.47Å; Y110-T226 PolarHBondContact O-OG1 2.96Å; L112-T226 VanDerWaalsContact O-CA 3.29Å; L112-T226 WeakPolarHBondContact O-CA 3.43Å; V224-T226 PolarHBondContact O-N 2.93Å; T226-F228 PolarHBondContact O-N 2.96Å; T226-F228 PolarHBondContact OG1-N 3.27Å; T226-S229 PolarHBondContact N-OG 3.04Å; T226-S229 PolarHBondContact O-N 3.41Å; T226-S229 PolarHBondContact O-OG 2.85Å; T226-S229 PolarHBondContact OG1-N 3.5Å; T226-S229 VanDerWaalsContact OG1-N 3.12Å; T226-S229 PolarHBondContact OG1-OG 2.97Å; T226-H230 WeakPolarHBondContact O-CB 3.45Å; T226-H230 PolarHBondContact O-N 3.19Å; T226-H230 VanDerWaalsContact O-N 3.14Å |
| 227 | E | 72.8 | Confident | 72.6 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -49 | -44.7 | 171.4 | -66.5 | 169.8 | 142.9 | 0 | 0 | 111.4 | R69 Y82 F86 L112 L114 A231 | R69-E227 WeakPolarHBondContact CD-OE1 3.05Å; R69-E227 IonicContact CZ-OE1 2.66Å; R69-E227 IonicContact NE-OE1 3.75Å; R69-E227 VanDerWaalsContact NH1-CD 3.33Å; R69-E227 IonicContact NH1-OE1 3.23Å; R69-E227 PolarHBondContact NH1-OE1 3.16Å; R69-E227 IonicContact NH1-OE2 3.38Å; R69-E227 PolarHBondContact NH1-OE2 2.98Å; Y82-E227 HydrophobicContact CE1-CG 4.47Å; Y82-E227 PolarHBondContact OH-OE1 2.76Å; F86-E227 WeakPolarHBondContact CE1-O 3.39Å; F86-E227 HydrophobicContact CE2-CB 4.08Å; F86-E227 HydrophobicContact CE2-CG 4.18Å; F86-E227 HydrophobicContact CZ-CB 3.89Å; F86-E227 HydrophobicContact CZ-CG 4.4Å; F86-E227 WeakPolarHBondContact CZ-O 3.25Å; L112-E227 VanDerWaalsContact CB-CD 3.43Å; L112-E227 HydrophobicContact CB-CG 4.03Å; L112-E227 WeakPolarHBondContact CB-OE2 3.5Å; L112-E227 PolarHBondContact N-OE2 3.21Å; L112-E227 PolarHBondContact O-N 2.67Å; L114-E227 HydrophobicContact CD2-CG 4.06Å; L114-E227 HydrophobicContact CG-CG 4.37Å; E227-A231 WeakPolarHBondContact O-CB 3.44Å; E227-A231 PolarHBondContact O-N 3.27Å |
| 228 | F | 73.1 | Confident | 71.3 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -77.6 | -45.1 | -174.1 | -160.3 | -116.6 | 0 | 0 | 0 | 112.4 | I104 L106 Y110 T226 H230 A231 L232 L323 V326 | I104-F228 HydrophobicContact CG2-CE2 3.82Å; I104-F228 HydrophobicContact CG2-CZ 3.8Å; L106-F228 HydrophobicContact CD2-CE1 4.06Å; L106-F228 HydrophobicContact CD2-CZ 3.6Å; Y110-F228 WeakPolarHBondContact O-CB 3.33Å; T226-F228 PolarHBondContact O-N 2.96Å; T226-F228 PolarHBondContact OG1-N 3.27Å; F228-H230 VanDerWaalsContact C-N 3.35Å; F228-H230 PolarHBondContact O-N 2.72Å; F228-A231 PolarHBondContact O-N 3.43Å; F228-L232 HydrophobicContact CE1-CD1 4.34Å; F228-L232 HydrophobicContact CZ-CD1 4.17Å; F228-L232 WeakPolarHBondContact O-CB 3.4Å; F228-L232 PolarHBondContact O-N 2.81Å; F228-L323 HydrophobicContact CE1-CD1 4.29Å; F228-V326 HydrophobicContact CE1-CG1 3.82Å; F228-V326 HydrophobicContact CZ-CG1 4.47Å |
| 229 | S | 71.2 | Confident | 69.5 | Low | 27 Ų | 27 | 36 Ų | 36 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | -178.7 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | T226 S233 | T226-S229 PolarHBondContact N-OG 3.04Å; T226-S229 PolarHBondContact O-N 3.41Å; T226-S229 PolarHBondContact O-OG 2.85Å; T226-S229 PolarHBondContact OG1-N 3.5Å; T226-S229 VanDerWaalsContact OG1-N 3.12Å; T226-S229 PolarHBondContact OG1-OG 2.97Å; S229-S233 WeakPolarHBondContact O-CB 3.39Å; S229-S233 PolarHBondContact O-N 3.38Å; S229-S233 PolarHBondContact O-OG 2.79Å |
| 230 | H | 73.7 | Confident | 66.9 | Low | 32 Ų | 32 | 41.2 Ų | 41.2 | 15% | 0.148 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.2 | -45.9 | 177.3 | -173 | 58.4 | 0 | 0 | 0 | 112.9 | F86 L225 T226 F228 S233 L234 | F86-H230 HydrophobicContact CE1-CB 4.33Å; L225-H230 HydrophobicContact CD1-CB 4.42Å; L225-H230 HydrophobicContact CD2-CB 3.63Å; L225-H230 HydrophobicContact CG-CB 3.95Å; T226-H230 WeakPolarHBondContact O-CB 3.45Å; T226-H230 PolarHBondContact O-N 3.19Å; T226-H230 VanDerWaalsContact O-N 3.14Å; F228-H230 VanDerWaalsContact C-N 3.35Å; F228-H230 PolarHBondContact O-N 2.72Å; H230-S233 PolarHBondContact O-OG 2.92Å; H230-L234 PolarHBondContact O-N 2.89Å |
| 231 | A | 71 | Confident | 64.4 | Low | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | F28 C30 F86 E227 F228 L234 L235 | F28-A231 HydrophobicContact CE1-CB 4.29Å; C30-A231 HydrophobicContact CB-CB 4.17Å; F86-A231 HydrophobicContact CE1-CB 4.46Å; F86-A231 HydrophobicContact CZ-CB 4.25Å; E227-A231 WeakPolarHBondContact O-CB 3.44Å; E227-A231 PolarHBondContact O-N 3.27Å; F228-A231 PolarHBondContact O-N 3.43Å; A231-L234 PolarHBondContact O-N 2.78Å; A231-L235 WeakPolarHBondContact O-CG 3.34Å; A231-L235 PolarHBondContact O-N 3.1Å |
| 232 | L | 70.8 | Confident | 62.1 | Low | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.7 | -38.3 | -179.4 | -166.9 | 104.8 | 0 | 0 | 0 | 113.1 | F228 L234 L235 I236 V326 L330 | F228-L232 HydrophobicContact CE1-CD1 4.34Å; F228-L232 HydrophobicContact CZ-CD1 4.17Å; F228-L232 WeakPolarHBondContact O-CB 3.4Å; F228-L232 PolarHBondContact O-N 2.81Å; L232-L234 VanDerWaalsContact C-N 3.3Å; L232-L234 PolarHBondContact O-N 2.73Å; L232-L235 PolarHBondContact O-N 2.96Å; L232-I236 HydrophobicContact CD2-CD1 3.65Å; L232-I236 HydrophobicContact CG-CD1 4.13Å; L232-I236 WeakPolarHBondContact O-CG1 3.37Å; L232-I236 PolarHBondContact O-N 2.98Å; L232-V326 HydrophobicContact CD1-CG1 3.65Å; L232-V326 HydrophobicContact CD2-CB 4.09Å; L232-V326 HydrophobicContact CD2-CG1 3.45Å; L232-V326 VanDerWaalsContact CD2-CG1 3.45Å; L232-V326 HydrophobicContact CD2-CG2 3.55Å; L232-V326 HydrophobicContact CG-CG1 4.18Å; L232-L330 HydrophobicContact CD1-CD1 4Å; L232-L330 HydrophobicContact CD1-CD2 4.25Å; L232-L330 HydrophobicContact CD1-CG 4.34Å |
| 233 | S | 70.1 | Confident | 59.7 | Low | 47 Ų | 47 | 53.2 Ų | 53.2 | 33% | 0.329 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -36.2 | 175.1 | 50.6 | 0 | 0 | 0 | 0 | 112.2 | S229 H230 L235 I236 N237 | S229-S233 WeakPolarHBondContact O-CB 3.39Å; S229-S233 PolarHBondContact O-N 3.38Å; S229-S233 PolarHBondContact O-OG 2.79Å; H230-S233 PolarHBondContact O-OG 2.92Å; S233-L235 VanDerWaalsContact C-N 3.33Å; S233-L235 PolarHBondContact O-N 3.05Å; S233-I236 PolarHBondContact O-N 3.2Å; S233-N237 VanDerWaalsContact O-CB 3.25Å; S233-N237 WeakPolarHBondContact O-CB 3.41Å; S233-N237 PolarHBondContact O-N 3.45Å; S233-N237 PolarHBondContact O-ND2 3.33Å; S233-N237 PolarHBondContact O-OD1 2.88Å |
| 234 | L | 69.4 | Low | 57.2 | Low | 41 Ų | 41 | 60.7 Ų | 60.7 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.2 | -33.9 | 170.9 | -72.8 | 165.4 | 0 | 0 | 0 | 112.7 | F91 H230 A231 L232 N237 S238 | F91-L234 HydrophobicContact CD2-CD2 4.38Å; H230-L234 PolarHBondContact O-N 2.89Å; A231-L234 PolarHBondContact O-N 2.78Å; L232-L234 VanDerWaalsContact C-N 3.3Å; L232-L234 PolarHBondContact O-N 2.73Å; L234-N237 CarbonylContact O-C 3.47Å; L234-S238 WeakPolarHBondContact O-CA 3.19Å; L234-S238 VanDerWaalsContact O-CB 3.23Å; L234-S238 WeakPolarHBondContact O-CB 3.42Å; L234-S238 PolarHBondContact O-N 3.31Å |
| 235 | L | 65.9 | Low | 54.9 | Low | 20 Ų | 20 | 62.7 Ų | 62.7 | 11% | 0.105 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -75.3 | -35 | 176.3 | -66.3 | 178.8 | 0 | 0 | 0 | 113.7 | C94 P102 I104 A231 L232 S233 S238 | C94-L235 VanDerWaalsContact SG-CD2 3.55Å; C94-L235 VanDerWaalsContact SG-CG 3.52Å; P102-L235 HydrophobicContact CB-CD1 3.66Å; P102-L235 HydrophobicContact CB-CD2 3.68Å; P102-L235 HydrophobicContact CB-CG 4.31Å; P102-L235 HydrophobicContact CG-CD1 4.14Å; P102-L235 HydrophobicContact CG-CD2 3.69Å; I104-L235 HydrophobicContact CD1-CD1 3.85Å; I104-L235 HydrophobicContact CG1-CD1 4.14Å; A231-L235 WeakPolarHBondContact O-CG 3.34Å; A231-L235 PolarHBondContact O-N 3.1Å; L232-L235 PolarHBondContact O-N 2.96Å; S233-L235 VanDerWaalsContact C-N 3.33Å; S233-L235 PolarHBondContact O-N 3.05Å; L235-S238 PolarHBondContact O-OG 3.03Å |
| 236 | I | 63.6 | Low | 52.7 | Low | 63 Ų | 63 | 73.9 Ų | 73.9 | 32% | 0.323 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 173.4 | -68.3 | 171.8 | 0 | 0 | 0 | 110 | L232 S233 S239 | L232-I236 HydrophobicContact CD2-CD1 3.65Å; L232-I236 HydrophobicContact CG-CD1 4.13Å; L232-I236 WeakPolarHBondContact O-CG1 3.37Å; L232-I236 PolarHBondContact O-N 2.98Å; S233-I236 PolarHBondContact O-N 3.2Å; I236-S239 PolarHBondContact O-OG 2.82Å |
| 237 | N | 55.5 | Low | 50.5 | Low | 89 Ų | 89 | 78.3 Ų | 78.3 | 48% | 0.476 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -87.6 | 0 | -179.1 | -58 | -5.7 | 0 | 0 | 0 | 113.6 | S233 L234 S239 E240 | S233-N237 VanDerWaalsContact O-CB 3.25Å; S233-N237 WeakPolarHBondContact O-CB 3.41Å; S233-N237 PolarHBondContact O-N 3.45Å; S233-N237 PolarHBondContact O-ND2 3.33Å; S233-N237 PolarHBondContact O-OD1 2.88Å; L234-N237 CarbonylContact O-C 3.47Å; N237-S239 PolarHBondContact O-N 2.95Å; N237-E240 CarbonylContact C-O 3.55Å; N237-E240 CarbonylContact O-C 3.58Å; N237-E240 PolarHBondContact O-N 3.46Å; N237-E240 VanDerWaalsContact O-N 3.13Å |
| 238 | S | 48.8 | Very low | 48.2 | Very low | 61 Ų | 61 | 85.5 Ų | 85.5 | 43% | 0.427 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -70.6 | -13.1 | 179.7 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | L234 L235 | L234-S238 WeakPolarHBondContact O-CA 3.19Å; L234-S238 VanDerWaalsContact O-CB 3.23Å; L234-S238 WeakPolarHBondContact O-CB 3.42Å; L234-S238 PolarHBondContact O-N 3.31Å; L235-S238 PolarHBondContact O-OG 3.03Å |
| 239 | S | 40.8 | Very low | 46.1 | Very low | 93 Ų | 93 | 93.1 Ų | 93.1 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -82.9 | -26.6 | 169.1 | 42.7 | 0 | 0 | 0 | 0 | 113.7 | I236 N237 | I236-S239 PolarHBondContact O-OG 2.82Å; N237-S239 PolarHBondContact O-N 2.95Å |
| 240 | E | 27.8 | Very low | 44 | Very low | 158 Ų | 158 | 102.5 Ų | 102.5 | 74% | 0.738 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -157.5 | 118.5 | 178 | -58.3 | -178.5 | 160 | 0 | 0 | 107.7 | N237 | N237-E240 CarbonylContact C-O 3.55Å; N237-E240 CarbonylContact O-C 3.58Å; N237-E240 PolarHBondContact O-N 3.46Å; N237-E240 VanDerWaalsContact O-N 3.13Å |
| 241 | P | 29.9 | Very low | 41.9 | Very low | 101 Ų | 101 | 103.8 Ų | 103.8 | 66% | 0.656 | 58% | 0.578 | S | S | * | * | cis | -150.1 | 152.8 | 36.7 | 40 | -19.3 | 0 | 0 | 0 | 118 | ||||
| 242 | H | 27.8 | Very low | 39.8 | Very low | 168 Ų | 168 | 108.9 Ų | 108.9 | 78% | 0.778 | 61% | 0.614 | S | S | * | * | trans | -149.9 | 14.5 | 142.1 | -112.2 | -54.6 | 0 | 0 | 0 | 114.5 | N244 | H242-N244 PolarHBondContact O-N 3.2Š| ||
| 243 | C | 26.1 | Very low | 37.8 | Very low | 132 Ų | 132 | 113.5 Ų | 113.5 | 89% | 0.892 | 65% | 0.647 | S | S | * | * | trans | -75 | 46.2 | -179.6 | -72.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 244 | N | 24.7 | Very low | 35.8 | Very low | 168 Ų | 168 | 116.1 Ų | 116.1 | 90% | 0.898 | 66% | 0.661 | S | S | * | * | trans | -99.1 | 70.4 | 168.4 | -84.6 | -17.5 | 0 | 0 | 0 | 110 | H242 | H242-N244 PolarHBondContact O-N 3.2Š| ||
| 245 | G | 25.8 | Very low | 33.8 | Very low | 63 Ų | 63 | 117.9 Ų | 117.9 | 65% | 0.649 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 142.1 | 45.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||
| 246 | W | 25.2 | Very low | 32.4 | Very low | 258 Ų | 258 | 119.4 Ų | 119.4 | 98% | 0.977 | 68% | 0.68 | S | S | * | * | trans | -147 | 140.6 | 137.6 | -91.7 | -20.2 | 0 | 0 | 0 | 112 | ||||
| 247 | P | 26.7 | Very low | 31.1 | Very low | 102 Ų | 102 | 121.7 Ų | 121.7 | 66% | 0.662 | 69% | 0.693 | S | S | * | * | trans | -96.4 | 151 | -167.4 | 37 | -35.8 | 0 | 0 | 0 | 114.4 | ||||
| 248 | N | 24.2 | Very low | 30.2 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | trans | 36.4 | 90.7 | 145.6 | -62.5 | -14 | 0 | 0 | 0 | 118.1 | ||||
| 249 | N | 30.3 | Very low | 29.7 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 88% | 0.882 | 71% | 0.714 | S | S | * | * | trans | -141.7 | 123.8 | 147.5 | -102.4 | -43 | 0 | 0 | 0 | 110.8 | G251 | N249-G251 PolarHBondContact O-N 2.76Š| ||
| 250 | K | 27 | Very low | 30.2 | Very low | 225 Ų | 225 | 126.8 Ų | 126.8 | 98% | 0.978 | 69% | 0.689 | S | S | * | * | trans | -86.4 | 90 | 179.5 | -71.6 | -174.7 | 175.9 | -175.4 | 0 | 110.2 | ||||
| 251 | G | 27.9 | Very low | 31.4 | Very low | 59 Ų | 59 | 119.9 Ų | 119.9 | 61% | 0.608 | 66% | 0.658 | S | S | * | * | S | Bend | trans | 158.2 | 139.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | N249 | N249-G251 PolarHBondContact O-N 2.76Š|
| 252 | S | 27 | Very low | 32.9 | Very low | 107 Ų | 107 | 116.7 Ų | 116.7 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | trans | 52.1 | 91 | 163.4 | 55.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 253 | S | 28.9 | Very low | 34.9 | Very low | 109 Ų | 109 | 110.1 Ų | 110.1 | 76% | 0.762 | 61% | 0.608 | S | S | * | * | trans | -139.2 | 144.1 | 133.4 | 51.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 254 | V | 28.5 | Very low | 37.4 | Very low | 102 Ų | 102 | 104 Ų | 104 | 62% | 0.618 | 57% | 0.566 | S | S | * | * | trans | -71.6 | 130.5 | 167.2 | 174.3 | 0 | 0 | 0 | 0 | 106.6 | T256 | V254-T256 PolarHBondContact O-N 2.94Š| ||
| 255 | N | 27.7 | Very low | 40 | Very low | 78 Ų | 78 | 96 Ų | 96 | 42% | 0.417 | 52% | 0.524 | S | S | . | . | trans | -78.6 | 76.1 | -175.8 | -139.6 | 19.7 | 0 | 0 | 0 | 110.2 | D257 W258 | N255-D257 PolarHBondContact O-N 3.3Å; N255-D257 VanDerWaalsContact O-N 3.15Å; N255-W258 HydrophobicContact CB-CD2 4.24Å; N255-W258 HydrophobicContact CB-CE3 4.27Å; N255-W258 WeakPolarHBondContact ND2-CZ2 3.34Å; N255-W258 PolarHBondContact ND2-NE1 2.82Å; N255-W258 PolarHBondContact O-N 2.89Å | ||
| 256 | T | 36.2 | Very low | 42.7 | Very low | 51 Ų | 51 | 93.1 Ų | 93.1 | 31% | 0.313 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -58.7 | -25.9 | -174.6 | 44.5 | 0 | 0 | 0 | 0 | 113.4 | V254 W258 M259 F260 | V254-T256 PolarHBondContact O-N 2.94Å; T256-W258 PolarHBondContact O-N 3.37Å; T256-M259 WeakPolarHBondContact O-CB 3.31Å; T256-M259 PolarHBondContact O-N 3.07Å; T256-F260 WeakPolarHBondContact O-CE2 3.47Å |
| 257 | D | 35.5 | Very low | 45.4 | Very low | 111 Ų | 111 | 82.5 Ų | 82.5 | 59% | 0.594 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -70.1 | -15.4 | -174.3 | -57.3 | -13.1 | 0 | 0 | 0 | 112.4 | N255 | N255-D257 PolarHBondContact O-N 3.3Å; N255-D257 VanDerWaalsContact O-N 3.15Å |
| 258 | W | 37.7 | Very low | 48.1 | Very low | 216 Ų | 216 | 78.4 Ų | 78.4 | 82% | 0.818 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -84.2 | -8.6 | 170.7 | -59.5 | -10.9 | 0 | 0 | 0 | 113.5 | N255 T256 F260 | N255-W258 HydrophobicContact CB-CD2 4.24Å; N255-W258 HydrophobicContact CB-CE3 4.27Å; N255-W258 WeakPolarHBondContact ND2-CZ2 3.34Å; N255-W258 PolarHBondContact ND2-NE1 2.82Å; N255-W258 PolarHBondContact O-N 2.89Å; T256-W258 PolarHBondContact O-N 3.37Å; W258-F260 VanDerWaalsContact C-N 3.33Å |
| 259 | M | 38.4 | Very low | 50.6 | Low | 106 Ų | 106 | 74.2 Ų | 74.2 | 52% | 0.522 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -84.6 | -6.6 | 174.9 | -58.7 | -176.6 | 72.4 | 0 | 0 | 112.9 | T256 S261 | T256-M259 WeakPolarHBondContact O-CB 3.31Å; T256-M259 PolarHBondContact O-N 3.07Å; M259-S261 PolarHBondContact O-N 2.97Å |
| 260 | F | 50.3 | Low | 52.7 | Low | 29 Ų | 29 | 66.9 Ų | 66.9 | 13% | 0.127 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -90.3 | 92.3 | -176.2 | -56.3 | -45.2 | 0 | 0 | 0 | 111.9 | N96 L98 T256 W258 A386 | N96-F260 PolarHBondContact ND2-O 3.07Å; L98-F260 HydrophobicContact CB-CD1 4.5Å; L98-F260 HydrophobicContact CB-CE1 3.89Å; L98-F260 HydrophobicContact CB-CZ 4.01Å; L98-F260 HydrophobicContact CD1-CD1 4.48Å; L98-F260 HydrophobicContact CD1-CE1 3.63Å; L98-F260 HydrophobicContact CD1-CZ 4.25Å; L98-F260 HydrophobicContact CG-CE1 4.39Å; T256-F260 WeakPolarHBondContact O-CE2 3.47Å; W258-F260 VanDerWaalsContact C-N 3.33Å; F260-A386 HydrophobicContact CE1-CB 4.16Å |
| 261 | S | 52.9 | Low | 54.7 | Low | 13 Ų | 13 | 60.7 Ų | 60.7 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | trans | -8.4 | 132.9 | 160.9 | 56.7 | 0 | 0 | 0 | 0 | 116.7 | N96 M259 R383 | N96-S261 PolarHBondContact ND2-O 2.74Å; N96-S261 PolarHBondContact OD1-O 3.42Å; M259-S261 PolarHBondContact O-N 2.97Å; S261-R383 PolarHBondContact OG-NH1 2.95Å | ||
| 262 | D | 61.7 | Low | 56.4 | Low | 33 Ų | 33 | 60.6 Ų | 60.6 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | trans | -49.1 | 154.2 | 179.1 | -45.6 | -81 | 0 | 0 | 0 | 114.6 | M334 N337 R382 | D262-M334 HydrophobicContact CB-CE 4.06Å; D262-M334 HydrophobicContact CB-SD 3.81Å; D262-N337 VanDerWaalsContact CG-ND2 3.34Å; D262-N337 PolarHBondContact OD1-ND2 2.92Å; D262-N337 PolarHBondContact OD2-ND2 2.94Å; D262-N337 VanDerWaalsContact OD2-ND2 3.12Å; D262-R382 IonicContact OD2-NH1 2.64Å | ||
| 263 | P | 71.1 | Confident | 58.2 | Low | 31 Ų | 31 | 59.3 Ų | 59.3 | 20% | 0.201 | 31% | 0.308 | C | S | . | . | trans | -53.7 | 144.7 | 167.8 | 25.6 | -36.9 | 0 | 0 | 0 | 111.4 | P102 I104 V265 M334 | P102-P263 HydrophobicContact CG-CB 3.8Å; I104-P263 HydrophobicContact CD1-CB 3.94Å; I104-P263 HydrophobicContact CD1-CG 4.33Å; I104-P263 HydrophobicContact CG1-CB 4.34Å; P263-V265 HydrophobicContact CB-CG2 4.3Å; P263-V265 HydrophobicContact CG-CG2 4.13Å; P263-V265 PolarHBondContact O-N 3.46Å; P263-M334 HydrophobicContact CG-SD 4.33Å | ||
| 264 | I | 78.5 | Confident | 59.9 | Low | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 112.9 | 169.2 | -64.2 | 175.2 | 0 | 0 | 0 | 107.3 | F27 P102 I103 I104 L375 A376 A379 | F27-I264 HydrophobicContact CD1-CD1 4.33Å; F27-I264 HydrophobicContact CE1-CD1 3.69Å; P102-I264 PolarHBondContact O-N 3.04Å; I103-I264 CarbonylContact C-O 3.6Å; I103-I264 WeakPolarHBondContact CA-O 3.17Å; I103-I264 HydrophobicContact CG1-CB 4.19Å; I103-I264 HydrophobicContact CG1-CD1 4.19Å; I104-I264 PolarHBondContact N-O 3.12Å; I264-L375 HydrophobicContact CD1-CB 4.46Å; I264-L375 HydrophobicContact CG1-CB 4.4Å; I264-L375 HydrophobicContact CG2-CB 3.98Å; I264-L375 HydrophobicContact CG2-CD1 4.16Å; I264-A376 HydrophobicContact CD1-CB 4.22Å; I264-A379 HydrophobicContact CD1-CB 3.83Å; I264-A379 HydrophobicContact CG1-CB 4.2Å |
| 265 | V | 78.2 | Confident | 61.6 | Low | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.4 | 176.8 | -169.1 | 0 | 0 | 0 | 0 | 110.1 | I104 L106 P263 M334 F341 Q344 | I104-V265 HydrophobicContact CB-CG1 4.48Å; I104-V265 HydrophobicContact CB-CG2 4.34Å; I104-V265 HydrophobicContact CD1-CG2 4.27Å; I104-V265 WeakPolarHBondContact O-CA 3.31Å; L106-V265 HydrophobicContact CD1-CG1 3.71Å; L106-V265 HydrophobicContact CG-CG1 4.35Å; P263-V265 HydrophobicContact CB-CG2 4.3Å; P263-V265 HydrophobicContact CG-CG2 4.13Å; P263-V265 PolarHBondContact O-N 3.46Å; V265-M334 HydrophobicContact CG2-CG 4.4Å; V265-M334 HydrophobicContact CG2-SD 4.1Å; V265-F341 HydrophobicContact CG1-CE2 4.05Å; V265-Q344 PolarHBondContact O-OE1 3.14Å |
| 266 | L | 81.8 | Confident | 63.3 | Low | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 132.9 | 171.3 | -70.7 | 172.3 | 0 | 0 | 0 | 108.9 | I104 L105 L106 L346 F368 R371 F372 L375 | I104-L266 PolarHBondContact O-N 3.22Å; L105-L266 WeakPolarHBondContact CA-O 3.45Å; L105-L266 HydrophobicContact CD2-CB 4.11Å; L105-L266 HydrophobicContact CD2-CD1 4.18Å; L106-L266 PolarHBondContact N-O 3.42Å; L266-L346 HydrophobicContact CD2-CD1 4.44Å; L266-F368 HydrophobicContact CB-CE2 4.42Å; L266-F368 HydrophobicContact CD1-CD2 4.14Å; L266-F368 HydrophobicContact CD1-CE2 3.77Å; L266-F368 HydrophobicContact CD1-CZ 4.31Å; L266-R371 HydrophobicContact CD2-CB 4.28Å; L266-F372 HydrophobicContact CD1-CB 4.08Å; L266-F372 HydrophobicContact CD1-CD2 4.11Å; L266-L375 HydrophobicContact CD2-CD1 3.82Å; L266-L375 HydrophobicContact CG-CD1 4.32Å |
| 267 | Q | 82.5 | Confident | 64.5 | Low | 35 Ų | 35 | 56.2 Ų | 56.2 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127 | 179.5 | -175.3 | 179.1 | 12.2 | 0 | 0 | 111.6 | L106 Q344 K345 L346 | L106-Q267 HydrophobicContact CB-CB 4.05Å; L106-Q267 HydrophobicContact CB-CG 3.97Å; L106-Q267 HydrophobicContact CD1-CB 4.45Å; L106-Q267 CarbonylContact O-C 3.58Å; L106-Q267 WeakPolarHBondContact O-CA 3.43Å; Q267-Q344 PolarHBondContact N-O 2.81Å; Q267-K345 HydrophobicContact CB-CG 4.42Å; Q267-L346 PolarHBondContact O-N 2.69Å |
| 268 | R | 83.1 | Confident | 65.7 | Low | 15 Ų | 15 | 53.7 Ų | 53.7 | 6% | 0.057 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120.1 | 170.9 | -172.9 | -176.5 | 76.7 | -164.4 | 1.2 | 110.2 | D35 F36 E39 L106 Q108 L346 V348 Y364 | D35-R268 VanDerWaalsContact CG-NH2 3.34Å; D35-R268 PolarHBondContact O-NH1 3.38Å; D35-R268 IonicContact OD1-NH2 2.74Å; D35-R268 PolarHBondContact OD1-NH2 3.48Å; D35-R268 IonicContact OD2-NH2 3.56Å; F36-R268 HydrophobicContact CE1-CB 3.98Å; F36-R268 HydrophobicContact CZ-CB 4Å; E39-R268 IonicContact OE1-CZ 3.15Å; E39-R268 IonicContact OE1-NH1 2.79Å; E39-R268 PolarHBondContact OE1-NH1 3.29Å; E39-R268 IonicContact OE2-NH1 2.67Å; L106-R268 PolarHBondContact O-N 2.85Å; Q108-R268 PolarHBondContact NE2-O 3.46Å; Q108-R268 VanDerWaalsContact OE1-NE 3.08Å; R268-L346 WeakPolarHBondContact CA-O 3.36Å; R268-V348 HydrophobicContact CG-CB 4.42Å; R268-V348 HydrophobicContact CG-CG2 3.74Å; R268-Y364 HydrophobicContact CB-CE2 4.46Å; R268-Y364 VanDerWaalsContact CD-OH 3.22Å; R268-Y364 WeakPolarHBondContact CD-OH 3.35Å; R268-Y364 HydrophobicContact CG-CE2 3.95Å |
| 269 | E | 76.9 | Confident | 66.8 | Low | 68 Ų | 68 | 43.8 Ų | 43.8 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.6 | 177.1 | -176.2 | -179.5 | -135.6 | 0 | 0 | 110.4 | L346 K347 V348 | E269-L346 PolarHBondContact N-O 3.12Å; E269-K347 HydrophobicContact CB-CG 4.5Å; E269-K347 CarbonylContact O-C 3.48Å; E269-K347 WeakPolarHBondContact O-CA 3.3Å; E269-K347 WeakPolarHBondContact OE2-CD 3.46Å; E269-K347 WeakPolarHBondContact OE2-CE 3.45Å; E269-K347 IonicContact OE2-NZ 3.92Å; E269-K347 PolarHBondContact OE2-NZ 2.98Å; E269-V348 PolarHBondContact O-N 3.19Å |
| 270 | I | 74.4 | Confident | 67.5 | Low | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 115.4 | 174.4 | -61.9 | -179.3 | 0 | 0 | 0 | 109 | Q108 D272 Y276 V348 W350 | Q108-I270 HydrophobicContact CG-CD1 3.85Å; Q108-I270 HydrophobicContact CG-CG1 4.27Å; I270-D272 VanDerWaalsContact C-N 3.33Å; I270-D272 PolarHBondContact O-N 3.43Å; I270-Y276 HydrophobicContact CD1-CD1 4.31Å; I270-Y276 HydrophobicContact CD1-CD2 3.98Å; I270-Y276 HydrophobicContact CD1-CE1 4.47Å; I270-Y276 HydrophobicContact CD1-CE2 4.18Å; I270-Y276 HydrophobicContact CD1-CG 4.04Å; I270-V348 CarbonylContact C-O 3.55Å; I270-V348 WeakPolarHBondContact CA-O 3.42Å; I270-W350 HydrophobicContact CD1-CE3 4.27Å; I270-W350 HydrophobicContact CG2-CB 3.75Å |
| 271 | I | 68.9 | Low | 67.7 | Low | 96 Ų | 96 | 49.4 Ų | 49.4 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -41.4 | -175.9 | -58 | 173.6 | 0 | 0 | 0 | 111.2 | K347 V348 L349 | I271-K347 HydrophobicContact CD1-CB 3.94Å; I271-K347 HydrophobicContact CG1-CB 3.93Å; I271-K347 HydrophobicContact CG1-CD 4.44Å; I271-V348 PolarHBondContact N-O 2.83Å; I271-L349 HydrophobicContact CB-CD1 4.47Å |
| 272 | D | 65.1 | Low | 67.7 | Low | 57 Ų | 57 | 50.4 Ų | 50.4 | 31% | 0.305 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 53.3 | -175.2 | -97.9 | -53.3 | 0 | 0 | 0 | 111.5 | I270 H274 Y275 Y276 L349 W350 | I270-D272 VanDerWaalsContact C-N 3.33Å; I270-D272 PolarHBondContact O-N 3.43Å; D272-H274 PolarHBondContact O-N 3.45Å; D272-H274 VanDerWaalsContact O-N 3.07Å; D272-Y275 HydrophobicContact CB-CD2 4.03Å; D272-Y275 PolarHBondContact O-N 3.1Å; D272-Y275 WeakPolarHBondContact OD1-CD2 3.43Å; D272-Y276 PolarHBondContact O-N 2.97Å; D272-L349 HydrophobicContact CB-CD1 4.37Å; D272-L349 VanDerWaalsContact OD2-CD1 3.25Å; D272-L349 WeakPolarHBondContact OD2-CD1 3.38Å; D272-W350 WeakPolarHBondContact CB-O 3.25Å |
| 273 | I | 63.9 | Low | 67.2 | Low | 80 Ų | 80 | 50.3 Ų | 50.3 | 41% | 0.41 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.9 | -28.1 | -174.8 | -161.2 | 171.1 | 0 | 0 | 0 | 113.1 | Y276 L277 | I273-Y276 HydrophobicContact CG1-CD1 3.96Å; I273-Y276 WeakPolarHBondContact O-CB 3.36Å; I273-Y276 PolarHBondContact O-N 2.94Å; I273-L277 WeakPolarHBondContact O-CG 3.49Å; I273-L277 PolarHBondContact O-N 3.31Å |
| 274 | H | 64.4 | Low | 66.2 | Low | 107 Ų | 107 | 57.5 Ų | 57.5 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 174.8 | -171.4 | 69.5 | 0 | 0 | 0 | 112.7 | D272 Y276 L277 N278 | D272-H274 PolarHBondContact O-N 3.45Å; D272-H274 VanDerWaalsContact O-N 3.07Å; H274-Y276 VanDerWaalsContact C-N 3.29Å; H274-Y276 PolarHBondContact O-N 2.97Å; H274-L277 PolarHBondContact O-N 2.97Å; H274-N278 PolarHBondContact CD2-ND2 2.9Å; H274-N278 PolarHBondContact NE2-ND2 3.33Å; H274-N278 PolarHBondContact O-N 2.75Å; H274-N278 PolarHBondContact O-ND2 3.04Å |
| 275 | Y | 64 | Low | 65 | Low | 121 Ų | 121 | 63.5 Ų | 63.5 | 48% | 0.475 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -72.6 | -23.7 | 175.3 | -72 | -70.2 | 0 | 0 | 0 | 113 | D272 W350 | D272-Y275 HydrophobicContact CB-CD2 4.03Å; D272-Y275 PolarHBondContact O-N 3.1Å; D272-Y275 WeakPolarHBondContact OD1-CD2 3.43Å; Y275-W350 PolarHBondContact O-NE1 3.36Å |
| 276 | Y | 63.5 | Low | 63.8 | Low | 16 Ų | 16 | 65.1 Ų | 65.1 | 6% | 0.063 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 170.9 | 161.7 | -106.9 | 0 | 0 | 0 | 112.2 | Q108 I270 D272 I273 H274 N278 D279 Y286 W350 | Q108-Y276 HydrophobicContact CB-CE1 4.49Å; Q108-Y276 HydrophobicContact CG-CE1 4.27Å; I270-Y276 HydrophobicContact CD1-CD1 4.31Å; I270-Y276 HydrophobicContact CD1-CD2 3.98Å; I270-Y276 HydrophobicContact CD1-CE1 4.47Å; I270-Y276 HydrophobicContact CD1-CE2 4.18Å; I270-Y276 HydrophobicContact CD1-CG 4.04Å; D272-Y276 PolarHBondContact O-N 2.97Å; I273-Y276 HydrophobicContact CG1-CD1 3.96Å; I273-Y276 WeakPolarHBondContact O-CB 3.36Å; I273-Y276 PolarHBondContact O-N 2.94Å; H274-Y276 VanDerWaalsContact C-N 3.29Å; H274-Y276 PolarHBondContact O-N 2.97Å; Y276-N278 VanDerWaalsContact C-N 3.26Å; Y276-N278 PolarHBondContact O-N 3.29Å; Y276-D279 PolarHBondContact O-N 3.12Å; Y276-Y286 AromaticContact CE2-CE1 3.78Å; Y276-Y286 HydrophobicContact CE2-CE1 3.78Å; Y276-Y286 AromaticContact CZ-CE1 3.83Å; Y276-Y286 WeakPolarHBondContact OH-CD1 3.34Å; Y276-Y286 WeakPolarHBondContact OH-CE1 3.47Å; Y276-W350 VanDerWaalsContact CA-CD1 3.5Å; Y276-W350 AromaticContact CD2-CD2 3.85Å; Y276-W350 HydrophobicContact CD2-CD2 3.85Å; Y276-W350 AromaticContact CD2-CE2 3.93Å; Y276-W350 AromaticContact CD2-CE3 3.68Å; Y276-W350 HydrophobicContact CD2-CE3 3.68Å; Y276-W350 AromaticContact CD2-CH2 3.74Å; Y276-W350 HydrophobicContact CD2-CH2 3.74Å; Y276-W350 AromaticContact CD2-CZ2 3.87Å; Y276-W350 HydrophobicContact CD2-CZ2 3.87Å; Y276-W350 AromaticContact CD2-CZ3 3.63Å; Y276-W350 HydrophobicContact CD2-CZ3 3.63Å; Y276-W350 HydrophobicContact CE2-CE3 4.49Å; Y276-W350 HydrophobicContact CE2-CH2 4.13Å; Y276-W350 HydrophobicContact CE2-CZ3 4.07Å; Y276-W350 HydrophobicContact CG-CD2 4.34Å; Y276-W350 HydrophobicContact CG-CE3 4.43Å |
| 277 | L | 61.4 | Low | 62.3 | Low | 31 Ų | 31 | 67.6 Ų | 67.6 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.6 | -22 | 176.4 | -65.9 | 171.2 | 0 | 0 | 0 | 113.6 | I273 H274 I289 S313 V315 | I273-L277 WeakPolarHBondContact O-CG 3.49Å; I273-L277 PolarHBondContact O-N 3.31Å; H274-L277 PolarHBondContact O-N 2.97Å; L277-I289 HydrophobicContact CD2-CD1 4.22Å; L277-I289 HydrophobicContact CD2-CG1 4.46Å; L277-S313 VanDerWaalsContact O-CB 3.23Å; L277-S313 WeakPolarHBondContact O-CB 3.43Å; L277-S313 PolarHBondContact O-OG 2.98Å; L277-V315 HydrophobicContact CD1-CG2 4Å; L277-V315 HydrophobicContact CD2-CG2 3.49Å; L277-V315 VanDerWaalsContact CD2-CG2 3.49Å; L277-V315 HydrophobicContact CG-CG2 4.41Å |
| 278 | N | 61.2 | Low | 61.1 | Low | 57 Ų | 57 | 66.6 Ų | 66.6 | 31% | 0.305 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 9.4 | -179.9 | -65.4 | -20.6 | 0 | 0 | 0 | 114.3 | H274 Y276 | H274-N278 PolarHBondContact CD2-ND2 2.9Å; H274-N278 PolarHBondContact NE2-ND2 3.33Å; H274-N278 PolarHBondContact O-N 2.75Å; H274-N278 PolarHBondContact O-ND2 3.04Å; Y276-N278 VanDerWaalsContact C-N 3.26Å; Y276-N278 PolarHBondContact O-N 3.29Å |
| 279 | D | 60.8 | Low | 59.6 | Low | 9 Ų | 9 | 66.4 Ų | 66.4 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | trans | -94.2 | 94.3 | 179.5 | -178.4 | 11.1 | 0 | 0 | 0 | 112.8 | Y276 L281 N282 T283 W350 | Y276-D279 PolarHBondContact O-N 3.12Å; D279-L281 PolarHBondContact O-N 3Å; D279-L281 VanDerWaalsContact O-N 3.12Å; D279-L281 PolarHBondContact OD1-N 3.13Å; D279-N282 PolarHBondContact O-N 3.21Å; D279-N282 PolarHBondContact OD2-ND2 3.29Å; D279-T283 PolarHBondContact O-N 3.14Å; D279-T283 PolarHBondContact O-OG1 3.41Å; D279-W350 HydrophobicContact CB-CZ2 4.29Å; D279-W350 WeakPolarHBondContact OD2-CZ2 3.05Å | ||
| 280 | E | 52.7 | Low | 58.3 | Low | 116 Ų | 116 | 64.5 Ų | 64.5 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -51.1 | -37.3 | -177.3 | -66.4 | -164.4 | -158.2 | 0 | 0 | 113.8 | N282 T283 K311 | E280-N282 PolarHBondContact O-N 3.35Å; E280-T283 VanDerWaalsContact C-OG1 3.29Å; E280-T283 VanDerWaalsContact CA-OG1 3.28Å; E280-T283 WeakPolarHBondContact CA-OG1 3.39Å; E280-T283 PolarHBondContact O-OG1 3.4Å; E280-K311 WeakPolarHBondContact OE1-CD 3.15Å; E280-K311 IonicContact OE1-NZ 3.9Å; E280-K311 PolarHBondContact OE1-NZ 3.22Å; E280-K311 IonicContact OE2-NZ 3.85Å; E280-K311 PolarHBondContact OE2-NZ 2.92Å |
| 281 | L | 54 | Low | 56.8 | Low | 137 Ų | 137 | 67.9 Ų | 67.9 | 72% | 0.717 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -73.8 | -12.8 | -175.7 | -73.2 | 168.9 | 0 | 0 | 0 | 113.8 | D279 K285 | D279-L281 PolarHBondContact O-N 3Å; D279-L281 VanDerWaalsContact O-N 3.12Å; D279-L281 PolarHBondContact OD1-N 3.13Å; L281-K285 PolarHBondContact O-NZ 2.95Å |
| 282 | N | 53.6 | Low | 55.4 | Low | 34 Ų | 34 | 70.4 Ų | 70.4 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -98.1 | -39.4 | 175.4 | -91.9 | -65.3 | 0 | 0 | 0 | 112.3 | D279 E280 E284 K285 Y286 | D279-N282 PolarHBondContact O-N 3.21Å; D279-N282 PolarHBondContact OD2-ND2 3.29Å; E280-N282 PolarHBondContact O-N 3.35Å; N282-E284 VanDerWaalsContact C-N 3.29Å; N282-E284 PolarHBondContact O-N 3.46Å; N282-K285 PolarHBondContact O-N 2.83Å; N282-Y286 HydrophobicContact CB-CE2 3.69Å; N282-Y286 WeakPolarHBondContact O-CD2 3.34Å; N282-Y286 WeakPolarHBondContact O-CE2 3.18Å; N282-Y286 PolarHBondContact OD1-OH 3.23Å |
| 283 | T | 51.3 | Low | 54.3 | Low | 30 Ų | 30 | 71.1 Ų | 71.1 | 18% | 0.184 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -37.7 | -48.1 | -172 | -8.6 | 0 | 0 | 0 | 0 | 115.8 | D279 E280 K285 Y286 I289 S313 | D279-T283 PolarHBondContact O-N 3.14Å; D279-T283 PolarHBondContact O-OG1 3.41Å; E280-T283 VanDerWaalsContact C-OG1 3.29Å; E280-T283 VanDerWaalsContact CA-OG1 3.28Å; E280-T283 WeakPolarHBondContact CA-OG1 3.39Å; E280-T283 PolarHBondContact O-OG1 3.4Å; T283-K285 PolarHBondContact O-N 3.45Å; T283-Y286 PolarHBondContact O-N 2.95Å; T283-I289 HydrophobicContact CG2-CG2 3.8Å; T283-S313 WeakPolarHBondContact CG2-OG 3.38Å |
| 284 | E | 50.5 | Low | 52.9 | Low | 183 Ų | 183 | 72.3 Ų | 72.3 | 86% | 0.855 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -14.3 | -176.4 | -59.3 | -172.4 | 149.9 | 0 | 0 | 115.4 | N282 | N282-E284 VanDerWaalsContact C-N 3.29Å; N282-E284 PolarHBondContact O-N 3.46Å |
| 285 | K | 52.1 | Low | 51.6 | Low | 130 Ų | 130 | 72.7 Ų | 72.7 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -0 | -174.7 | -57.9 | 166.9 | -172.2 | 130.2 | 0 | 113.9 | L281 N282 T283 | L281-K285 PolarHBondContact O-NZ 2.95Å; N282-K285 PolarHBondContact O-N 2.83Å; T283-K285 PolarHBondContact O-N 3.45Å |
| 286 | Y | 53.8 | Low | 50.1 | Low | 33 Ų | 33 | 74.5 Ų | 74.5 | 13% | 0.129 | 39% | 0.385 | C | S | . | . | trans | -118.2 | 123.9 | -168.5 | -63.2 | -112.2 | 0 | 0 | 0 | 109 | K109 Y276 N282 T283 I289 | K109-Y286 HydrophobicContact CD-CD1 4.48Å; K109-Y286 VanDerWaalsContact NZ-CD1 3.29Å; Y276-Y286 AromaticContact CE2-CE1 3.78Å; Y276-Y286 HydrophobicContact CE2-CE1 3.78Å; Y276-Y286 AromaticContact CZ-CE1 3.83Å; Y276-Y286 WeakPolarHBondContact OH-CD1 3.34Å; Y276-Y286 WeakPolarHBondContact OH-CE1 3.47Å; N282-Y286 HydrophobicContact CB-CE2 3.69Å; N282-Y286 WeakPolarHBondContact O-CD2 3.34Å; N282-Y286 WeakPolarHBondContact O-CE2 3.18Å; N282-Y286 PolarHBondContact OD1-OH 3.23Å; T283-Y286 PolarHBondContact O-N 2.95Å; Y286-I289 HydrophobicContact CD1-CD1 3.95Å; Y286-I289 HydrophobicContact CD2-CD1 4.49Å; Y286-I289 HydrophobicContact CG-CD1 3.81Å; Y286-I289 HydrophobicContact CG-CG1 4.37Å | ||
| 287 | I | 50.7 | Low | 48.7 | Very low | 55 Ų | 55 | 82.6 Ų | 82.6 | 28% | 0.282 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -83 | -31.4 | -178.3 | -64.5 | 173.9 | 0 | 0 | 0 | 110.4 | L112 P113 I289 | L112-I287 HydrophobicContact CD1-CD1 3.99Å; P113-I287 VanDerWaalsContact CD-CD1 3.44Å; P113-I287 HydrophobicContact CG-CD1 3.85Å; P113-I287 HydrophobicContact CG-CG2 4.4Å; I287-I289 VanDerWaalsContact C-N 3.28Å; I287-I289 PolarHBondContact O-N 3.07Å |
| 288 | D | 57.4 | Low | 47 | Very low | 13 Ų | 13 | 84.3 Ų | 84.3 | 7% | 0.07 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -79.7 | -5.9 | 177.6 | -38.6 | -88.2 | 0 | 0 | 0 | 113.3 | K109 Y110 D316 L319 | K109-D288 WeakPolarHBondContact CA-OD2 3.25Å; K109-D288 WeakPolarHBondContact CB-OD2 3.22Å; K109-D288 VanDerWaalsContact CG-OD2 3.25Å; K109-D288 WeakPolarHBondContact CG-OD2 3.42Å; Y110-D288 WeakPolarHBondContact CB-OD1 3.45Å; Y110-D288 PolarHBondContact N-OD1 2.91Å; Y110-D288 VanDerWaalsContact N-OD1 3.1Å; D288-D316 PolarHBondContact O-N 2.62Å; D288-L319 HydrophobicContact CB-CD1 4.43Å |
| 289 | I | 51.4 | Low | 45.6 | Very low | 11 Ų | 11 | 88.1 Ų | 88.1 | 6% | 0.056 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 99.7 | 170.4 | -55.8 | 178.4 | 0 | 0 | 0 | 106.9 | L277 T283 Y286 I287 P291 | L277-I289 HydrophobicContact CD2-CD1 4.22Å; L277-I289 HydrophobicContact CD2-CG1 4.46Å; T283-I289 HydrophobicContact CG2-CG2 3.8Å; Y286-I289 HydrophobicContact CD1-CD1 3.95Å; Y286-I289 HydrophobicContact CD2-CD1 4.49Å; Y286-I289 HydrophobicContact CG-CD1 3.81Å; Y286-I289 HydrophobicContact CG-CG1 4.37Å; I287-I289 VanDerWaalsContact C-N 3.28Å; I287-I289 PolarHBondContact O-N 3.07Å; I289-P291 VanDerWaalsContact O-CD 3.24Å; I289-P291 WeakPolarHBondContact O-CD 3.07Å |
| 290 | V | 50.1 | Low | 44.2 | Very low | 29 Ų | 29 | 94.9 Ų | 94.9 | 18% | 0.176 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 116.9 | -178.8 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | K292 M314 D316 | V290-K292 PolarHBondContact O-N 3.5Å; V290-K292 VanDerWaalsContact O-N 3.08Å; V290-M314 PolarHBondContact N-O 3.05Å; V290-D316 HydrophobicContact CG2-CB 3.96Å |
| 291 | P | 42.3 | Very low | 43.3 | Very low | 81 Ų | 81 | 98.7 Ų | 98.7 | 53% | 0.526 | 52% | 0.522 | S | S | . | . | trans | -62.2 | 119.1 | 168.3 | 26.9 | -32.5 | 0 | 0 | 0 | 107.3 | I289 L293 | I289-P291 VanDerWaalsContact O-CD 3.24Å; I289-P291 WeakPolarHBondContact O-CD 3.07Å; P291-L293 PolarHBondContact O-N 3.22Å | ||
| 292 | K | 40 | Very low | 42.1 | Very low | 148 Ų | 148 | 100.2 Ų | 100.2 | 64% | 0.643 | 53% | 0.531 | S | S | * | . | trans | -55 | 109 | 170.2 | -173.3 | 178.1 | -174.5 | 177.2 | 0 | 106.5 | V290 T294 | V290-K292 PolarHBondContact O-N 3.5Å; V290-K292 VanDerWaalsContact O-N 3.08Å; K292-T294 PolarHBondContact O-N 3.1Å; K292-T294 PolarHBondContact O-OG1 2.74Å | ||
| 293 | L | 42.3 | Very low | 41.2 | Very low | 72 Ų | 72 | 104.2 Ų | 104.2 | 38% | 0.377 | 56% | 0.561 | S | S | . | * | trans | -70.8 | 64.4 | -163.8 | -87.7 | 166.6 | 0 | 0 | 0 | 113.6 | Y139 W200 P291 | Y139-L293 HydrophobicContact CD1-CD1 4.38Å; W200-L293 HydrophobicContact CH2-CD1 3.41Å; W200-L293 VanDerWaalsContact CH2-CD1 3.41Å; W200-L293 HydrophobicContact CZ2-CD1 3.34Å; W200-L293 HydrophobicContact CZ3-CD1 4.33Å; P291-L293 PolarHBondContact O-N 3.22Å | ||
| 294 | T | 34.3 | Very low | 40.3 | Very low | 105 Ų | 105 | 111.2 Ų | 111.2 | 64% | 0.644 | 59% | 0.592 | S | S | * | * | trans | -64.3 | 130.2 | 158.3 | 47.8 | 0 | 0 | 0 | 0 | 108.2 | K292 I296 | K292-T294 PolarHBondContact O-N 3.1Å; K292-T294 PolarHBondContact O-OG1 2.74Å; T294-I296 PolarHBondContact O-N 3.41Å | ||
| 295 | P | 36.7 | Very low | 39.3 | Very low | 116 Ų | 116 | 109.5 Ų | 109.5 | 75% | 0.753 | 59% | 0.588 | S | S | * | * | trans | -65.3 | 123.3 | -163 | -23.2 | 34.3 | 0 | 0 | 0 | 113.5 | F297 | P295-F297 PolarHBondContact O-N 3.17Š| ||
| 296 | I | 32.4 | Very low | 38.3 | Very low | 158 Ų | 158 | 108.6 Ų | 108.6 | 81% | 0.81 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -81.3 | 59.2 | 169.3 | -48.9 | -179.8 | 0 | 0 | 0 | 109.3 | T294 | T294-I296 PolarHBondContact O-N 3.41Š|
| 297 | F | 33.7 | Very low | 37.3 | Very low | 186 Ų | 186 | 114 Ų | 114 | 82% | 0.816 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -145.7 | 121.3 | 162.9 | -81.6 | -72.8 | 0 | 0 | 0 | 106.7 | P295 | P295-F297 PolarHBondContact O-N 3.17Š|
| 298 | G | 26.8 | Very low | 36.3 | Very low | 67 Ų | 67 | 120.8 Ų | 120.8 | 69% | 0.691 | 66% | 0.663 | S | S | * | * | trans | -77.6 | -177.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 299 | T | 31.5 | Very low | 35 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 85% | 0.847 | 70% | 0.696 | S | S | * | * | trans | 53 | 79.8 | 163.4 | 56.5 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 300 | I | 31.1 | Very low | 34.2 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 77% | 0.774 | 72% | 0.721 | S | S | * | * | trans | 179.7 | 146.2 | 142.8 | -93.6 | 149.7 | 0 | 0 | 0 | 108.3 | ||||
| 301 | F | 33.9 | Very low | 33.8 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | 90.7 | 82.2 | -176.8 | -58.8 | -61.2 | 0 | 0 | 0 | 116.9 | ||||
| 302 | D | 29 | Very low | 33.8 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -71.4 | 129.8 | 157.9 | -54.9 | -80.1 | 0 | 0 | 0 | 111.6 | ||||
| 303 | S | 33.1 | Very low | 34.2 | Very low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 73% | 0.727 | S | S | * | * | trans | -156.8 | 137.5 | 152.6 | 56.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 304 | Q | 32.6 | Very low | 34.6 | Very low | 176 Ų | 176 | 132.3 Ų | 132.3 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | -93.6 | 164 | -166 | -61 | 174.8 | -86.5 | 0 | 0 | 113.5 | ||||
| 305 | D | 31.2 | Very low | 35.6 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 79% | 0.786 | 72% | 0.719 | S | S | * | * | trans | 76 | 151.5 | 159.4 | -54.9 | -32 | 0 | 0 | 0 | 120.2 | ||||
| 306 | S | 30.8 | Very low | 36.9 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 69.6 | 111.9 | -178.4 | 61.8 | 0 | 0 | 0 | 0 | 118.8 | ||
| 307 | D | 32.2 | Very low | 38.4 | Very low | 147 Ų | 147 | 122.8 Ų | 122.8 | 79% | 0.786 | 68% | 0.675 | S | S | * | * | trans | 48.9 | 90.3 | 147.2 | -56.6 | -14.5 | 0 | 0 | 0 | 119.7 | S309 | D307-S309 PolarHBondContact O-N 2.99Š| ||
| 308 | M | 29.8 | Very low | 39.9 | Very low | 197 Ų | 197 | 116.5 Ų | 116.5 | 97% | 0.97 | 65% | 0.652 | S | S | * | * | trans | -66.7 | 20.8 | 173.3 | -70.7 | -79.2 | -77.9 | 0 | 0 | 115.4 | G310 | M308-G310 PolarHBondContact O-N 2.97Š| ||
| 309 | S | 30.3 | Very low | 41.7 | Very low | 109 Ų | 109 | 114.2 Ų | 114.2 | 76% | 0.762 | 62% | 0.624 | S | S | * | * | trans | -86.6 | 79.7 | -178.8 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | D307 | D307-S309 PolarHBondContact O-N 2.99Š| ||
| 310 | G | 33.7 | Very low | 43.5 | Very low | 58 Ų | 58 | 110.2 Ų | 110.2 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | trans | -164.5 | 5.6 | -173 | 0 | 0 | 0 | 0 | 0 | 120.3 | M308 Q312 | M308-G310 PolarHBondContact O-N 2.97Å; G310-Q312 PolarHBondContact O-N 3.31Å | ||
| 311 | K | 41.4 | Very low | 45.2 | Very low | 154 Ų | 154 | 106.4 Ų | 106.4 | 67% | 0.67 | 58% | 0.576 | S | S | * | * | trans | -75.8 | 64.1 | 172.4 | -73.6 | -177.7 | 178.9 | 177.1 | 0 | 111.8 | E280 | E280-K311 WeakPolarHBondContact OE1-CD 3.15Å; E280-K311 IonicContact OE1-NZ 3.9Å; E280-K311 PolarHBondContact OE1-NZ 3.22Å; E280-K311 IonicContact OE2-NZ 3.85Å; E280-K311 PolarHBondContact OE2-NZ 2.92Å | ||
| 312 | Q | 44 | Very low | 46.8 | Very low | 129 Ų | 129 | 100.2 Ų | 100.2 | 60% | 0.603 | 55% | 0.552 | S | S | * | * | trans | -88.3 | 111.5 | 173.3 | -79.3 | -176.4 | -23.5 | 0 | 0 | 111.2 | G310 | G310-Q312 PolarHBondContact O-N 3.31Š| ||
| 313 | S | 48.1 | Very low | 48.7 | Very low | 26 Ų | 26 | 92.7 Ų | 92.7 | 18% | 0.182 | 51% | 0.512 | C | S | . | . | trans | -59.4 | 134.8 | 161.7 | -37.3 | 0 | 0 | 0 | 0 | 109.5 | L277 T283 | L277-S313 VanDerWaalsContact O-CB 3.23Å; L277-S313 WeakPolarHBondContact O-CB 3.43Å; L277-S313 PolarHBondContact O-OG 2.98Å; T283-S313 WeakPolarHBondContact CG2-OG 3.38Å | ||
| 314 | M | 49.8 | Very low | 50.5 | Low | 121 Ų | 121 | 92.3 Ų | 92.3 | 60% | 0.596 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137.3 | 172.7 | -69.2 | -172.3 | 71.4 | 0 | 0 | 110.3 | V290 | V290-M314 PolarHBondContact N-O 3.05Å |
| 315 | V | 56.6 | Low | 52.3 | Low | 44 Ų | 44 | 88.2 Ų | 88.2 | 27% | 0.267 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 143.3 | 170.6 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | L277 Q317 Q320 | L277-V315 HydrophobicContact CD1-CG2 4Å; L277-V315 HydrophobicContact CD2-CG2 3.49Å; L277-V315 VanDerWaalsContact CD2-CG2 3.49Å; L277-V315 HydrophobicContact CG-CG2 4.41Å; V315-Q317 PolarHBondContact O-N 2.84Å; V315-Q320 HydrophobicContact CG1-CB 3.88Å; V315-Q320 HydrophobicContact CG1-CG 4.32Å |
| 316 | D | 62.8 | Low | 54.1 | Low | 20 Ų | 20 | 82 Ų | 82 | 11% | 0.107 | 45% | 0.451 | C | S | . | . | trans | -67.5 | 105.6 | 165.8 | -166.7 | -61.5 | 0 | 0 | 0 | 109.3 | H204 D288 V290 V318 L319 Q320 | H204-D316 IonicContact CE1-OD2 3.28Å; D288-D316 PolarHBondContact O-N 2.62Å; V290-D316 HydrophobicContact CG2-CB 3.96Å; D316-V318 PolarHBondContact O-N 2.77Å; D316-V318 WeakPolarHBondContact OD1-CA 3.47Å; D316-V318 VanDerWaalsContact OD1-CB 3.31Å; D316-V318 WeakPolarHBondContact OD1-CB 3.49Å; D316-V318 PolarHBondContact OD1-N 3.36Å; D316-L319 HydrophobicContact CB-CB 4.17Å; D316-L319 HydrophobicContact CB-CD1 4Å; D316-L319 HydrophobicContact CB-CG 4.08Å; D316-L319 PolarHBondContact O-N 3Å; D316-L319 PolarHBondContact OD1-N 3.03Å; D316-Q320 WeakPolarHBondContact O-CB 3.29Å; D316-Q320 PolarHBondContact O-N 3.31Å | ||
| 317 | Q | 64.4 | Low | 55.9 | Low | 115 Ų | 115 | 77.5 Ų | 77.5 | 54% | 0.537 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.8 | -32.7 | -177.3 | -167.4 | 66.4 | 50.6 | 0 | 0 | 112 | V315 Q320 D321 | V315-Q317 PolarHBondContact O-N 2.84Å; Q317-Q320 PolarHBondContact O-N 2.79Å; Q317-D321 PolarHBondContact NE2-OD1 3.35Å; Q317-D321 VanDerWaalsContact O-CB 3.26Å; Q317-D321 WeakPolarHBondContact O-CB 3.41Å; Q317-D321 PolarHBondContact O-N 3.49Å |
| 318 | V | 65.1 | Low | 57.7 | Low | 54 Ų | 54 | 76.9 Ų | 76.9 | 33% | 0.327 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71 | -40.6 | -179.2 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | D316 N322 | D316-V318 PolarHBondContact O-N 2.77Å; D316-V318 WeakPolarHBondContact OD1-CA 3.47Å; D316-V318 VanDerWaalsContact OD1-CB 3.31Å; D316-V318 WeakPolarHBondContact OD1-CB 3.49Å; D316-V318 PolarHBondContact OD1-N 3.36Å; V318-N322 WeakPolarHBondContact O-CB 3.37Å; V318-N322 PolarHBondContact O-N 3.35Å; V318-N322 PolarHBondContact O-ND2 3.16Å; V318-N322 VanDerWaalsContact O-ND2 3.1Å |
| 319 | L | 65.2 | Low | 59.5 | Low | 18 Ų | 18 | 72.1 Ų | 72.1 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.5 | -37.4 | 175.2 | -61 | 178.7 | 0 | 0 | 0 | 111.7 | Y110 Y203 D288 D316 L323 | Y110-L319 HydrophobicContact CD1-CD2 3.98Å; Y110-L319 HydrophobicContact CG-CD2 4.37Å; Y203-L319 HydrophobicContact CE2-CD2 4.04Å; D288-L319 HydrophobicContact CB-CD1 4.43Å; D316-L319 HydrophobicContact CB-CB 4.17Å; D316-L319 HydrophobicContact CB-CD1 4Å; D316-L319 HydrophobicContact CB-CG 4.08Å; D316-L319 PolarHBondContact O-N 3Å; D316-L319 PolarHBondContact OD1-N 3.03Å; L319-L323 WeakPolarHBondContact O-CB 3.17Å; L319-L323 PolarHBondContact O-N 3.09Å |
| 320 | Q | 67.9 | Low | 61.2 | Low | 54 Ų | 54 | 67.7 Ų | 67.7 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 175.7 | -176 | 64.9 | 2.2 | 0 | 0 | 112.7 | V315 D316 Q317 L323 Q324 | V315-Q320 HydrophobicContact CG1-CB 3.88Å; V315-Q320 HydrophobicContact CG1-CG 4.32Å; D316-Q320 WeakPolarHBondContact O-CB 3.29Å; D316-Q320 PolarHBondContact O-N 3.31Å; Q317-Q320 PolarHBondContact O-N 2.79Å; Q320-L323 PolarHBondContact O-N 2.85Å; Q320-Q324 WeakPolarHBondContact O-CG 3.32Å; Q320-Q324 PolarHBondContact O-N 3.43Å |
| 321 | D | 67.1 | Low | 62.7 | Low | 71 Ų | 71 | 67.1 Ų | 67.1 | 38% | 0.38 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.1 | -41.9 | 177 | -69 | -12.2 | 0 | 0 | 0 | 110.5 | Q317 L323 Q324 V325 | Q317-D321 PolarHBondContact NE2-OD1 3.35Å; Q317-D321 VanDerWaalsContact O-CB 3.26Å; Q317-D321 WeakPolarHBondContact O-CB 3.41Å; Q317-D321 PolarHBondContact O-N 3.49Å; D321-L323 PolarHBondContact O-N 3.23Å; D321-Q324 WeakPolarHBondContact O-CB 3.44Å; D321-Q324 PolarHBondContact O-N 2.89Å; D321-V325 WeakPolarHBondContact O-CG2 3.41Å; D321-V325 PolarHBondContact O-N 2.93Å |
| 322 | N | 67.3 | Low | 63.7 | Low | 65 Ų | 65 | 64.9 Ų | 64.9 | 35% | 0.348 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 172.4 | -75.6 | -27.5 | 0 | 0 | 0 | 112.1 | Y110 V318 Q324 V325 V326 | Y110-N322 HydrophobicContact CD2-CB 4.46Å; Y110-N322 HydrophobicContact CE2-CB 3.78Å; V318-N322 WeakPolarHBondContact O-CB 3.37Å; V318-N322 PolarHBondContact O-N 3.35Å; V318-N322 PolarHBondContact O-ND2 3.16Å; V318-N322 VanDerWaalsContact O-ND2 3.1Å; N322-Q324 VanDerWaalsContact C-N 3.33Å; N322-Q324 PolarHBondContact O-N 2.51Å; N322-V325 PolarHBondContact O-N 2.83Å; N322-V326 WeakPolarHBondContact O-CB 3.34Å; N322-V326 WeakPolarHBondContact O-CG2 3.28Å; N322-V326 PolarHBondContact O-N 2.67Å |
| 323 | L | 69.7 | Low | 64.7 | Low | 13 Ų | 13 | 63.7 Ų | 63.7 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 176.2 | -174.2 | 62.3 | 0 | 0 | 0 | 112.2 | Y110 F228 L319 Q320 D321 T327 | Y110-L323 HydrophobicContact CD2-CB 4.23Å; Y110-L323 HydrophobicContact CD2-CD1 4.46Å; F228-L323 HydrophobicContact CE1-CD1 4.29Å; L319-L323 WeakPolarHBondContact O-CB 3.17Å; L319-L323 PolarHBondContact O-N 3.09Å; Q320-L323 PolarHBondContact O-N 2.85Å; D321-L323 PolarHBondContact O-N 3.23Å; L323-T327 VanDerWaalsContact O-CB 3.28Å; L323-T327 WeakPolarHBondContact O-CB 3.3Å; L323-T327 PolarHBondContact O-N 2.97Å; L323-T327 PolarHBondContact O-OG1 3Å |
| 324 | Q | 71.3 | Confident | 65.3 | Low | 110 Ų | 110 | 62.9 Ų | 62.9 | 51% | 0.514 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 172.8 | -73 | -178.2 | 46.3 | 0 | 0 | 112.3 | Q320 D321 N322 V326 T327 K328 | Q320-Q324 WeakPolarHBondContact O-CG 3.32Å; Q320-Q324 PolarHBondContact O-N 3.43Å; D321-Q324 WeakPolarHBondContact O-CB 3.44Å; D321-Q324 PolarHBondContact O-N 2.89Å; N322-Q324 VanDerWaalsContact C-N 3.33Å; N322-Q324 PolarHBondContact O-N 2.51Å; Q324-V326 VanDerWaalsContact C-N 3.35Å; Q324-V326 PolarHBondContact O-N 2.92Å; Q324-T327 PolarHBondContact O-N 3.32Å; Q324-K328 WeakPolarHBondContact O-CB 3.26Å; Q324-K328 PolarHBondContact O-N 3.29Å |
| 325 | V | 70.6 | Confident | 65.4 | Low | 90 Ų | 90 | 62.1 Ų | 62.1 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | D321 N322 K328 H329 | D321-V325 WeakPolarHBondContact O-CG2 3.41Å; D321-V325 PolarHBondContact O-N 2.93Å; N322-V325 PolarHBondContact O-N 2.83Å; V325-K328 PolarHBondContact O-N 2.74Å; V325-H329 PolarHBondContact O-N 3.06Å |
| 326 | V | 67.6 | Low | 65.2 | Low | 15 Ų | 15 | 66.2 Ų | 66.2 | 9% | 0.091 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 175.6 | 164.8 | 0 | 0 | 0 | 0 | 111.5 | F228 L232 N322 Q324 K328 H329 L330 | F228-V326 HydrophobicContact CE1-CG1 3.82Å; F228-V326 HydrophobicContact CZ-CG1 4.47Å; L232-V326 HydrophobicContact CD1-CG1 3.65Å; L232-V326 HydrophobicContact CD2-CB 4.09Å; L232-V326 HydrophobicContact CD2-CG1 3.45Å; L232-V326 VanDerWaalsContact CD2-CG1 3.45Å; L232-V326 HydrophobicContact CD2-CG2 3.55Å; L232-V326 HydrophobicContact CG-CG1 4.18Å; N322-V326 WeakPolarHBondContact O-CB 3.34Å; N322-V326 WeakPolarHBondContact O-CG2 3.28Å; N322-V326 PolarHBondContact O-N 2.67Å; Q324-V326 VanDerWaalsContact C-N 3.35Å; Q324-V326 PolarHBondContact O-N 2.92Å; V326-K328 VanDerWaalsContact C-N 3.34Å; V326-K328 PolarHBondContact O-N 3.03Å; V326-H329 PolarHBondContact O-N 2.86Å; V326-L330 HydrophobicContact CG1-CD1 4.12Å; V326-L330 WeakPolarHBondContact O-CG 3.41Å; V326-L330 PolarHBondContact O-N 3.1Å |
| 327 | T | 69.9 | Low | 64.5 | Low | 18 Ų | 18 | 69.1 Ų | 69.1 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 179.8 | -62 | 0 | 0 | 0 | 0 | 110.9 | L106 L323 Q324 L330 I331 | L106-T327 HydrophobicContact CD1-CG2 4.35Å; L323-T327 VanDerWaalsContact O-CB 3.28Å; L323-T327 WeakPolarHBondContact O-CB 3.3Å; L323-T327 PolarHBondContact O-N 2.97Å; L323-T327 PolarHBondContact O-OG1 3Å; Q324-T327 PolarHBondContact O-N 3.32Å; T327-L330 PolarHBondContact O-N 2.76Å; T327-I331 HydrophobicContact CG2-CD1 3.93Å; T327-I331 VanDerWaalsContact O-CG1 3.24Å; T327-I331 WeakPolarHBondContact O-CG1 3.13Å; T327-I331 PolarHBondContact O-N 2.88Å |
| 328 | K | 68.6 | Low | 63.7 | Low | 133 Ų | 133 | 69.1 Ų | 69.1 | 58% | 0.578 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 173.7 | -174.3 | 177.8 | 178.5 | -179.9 | 0 | 111.9 | Q324 V325 V326 I331 Q332 | Q324-K328 WeakPolarHBondContact O-CB 3.26Å; Q324-K328 PolarHBondContact O-N 3.29Å; V325-K328 PolarHBondContact O-N 2.74Å; V326-K328 VanDerWaalsContact C-N 3.34Å; V326-K328 PolarHBondContact O-N 3.03Å; K328-I331 PolarHBondContact O-N 2.84Å; K328-Q332 WeakPolarHBondContact O-CB 3.37Å; K328-Q332 VanDerWaalsContact O-CG 3.3Å; K328-Q332 WeakPolarHBondContact O-CG 3.33Å; K328-Q332 PolarHBondContact O-N 2.94Å |
| 329 | H | 67.3 | Low | 63 | Low | 97 Ų | 97 | 69.6 Ų | 69.6 | 45% | 0.449 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 177.3 | -121.5 | 76.6 | 0 | 0 | 0 | 112.6 | V325 V326 Q332 K333 | V325-H329 PolarHBondContact O-N 3.06Å; V326-H329 PolarHBondContact O-N 2.86Å; H329-Q332 PolarHBondContact O-N 2.87Å; H329-K333 PolarHBondContact O-N 2.86Å; H329-K333 VanDerWaalsContact O-N 3.09Å |
| 330 | L | 66.5 | Low | 62.4 | Low | 16 Ų | 16 | 76.1 Ų | 76.1 | 8% | 0.084 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 173.8 | -71.6 | 171.3 | 0 | 0 | 0 | 111.5 | I104 L106 L232 V326 T327 Q332 K333 M334 | I104-L330 HydrophobicContact CD1-CD1 4.32Å; I104-L330 HydrophobicContact CD1-CD2 3.72Å; I104-L330 HydrophobicContact CG2-CD1 4.08Å; L106-L330 HydrophobicContact CD1-CD1 3.96Å; L106-L330 HydrophobicContact CD2-CD1 3.93Å; L106-L330 HydrophobicContact CG-CD1 4.32Å; L232-L330 HydrophobicContact CD1-CD1 4Å; L232-L330 HydrophobicContact CD1-CD2 4.25Å; L232-L330 HydrophobicContact CD1-CG 4.34Å; V326-L330 HydrophobicContact CG1-CD1 4.12Å; V326-L330 WeakPolarHBondContact O-CG 3.41Å; V326-L330 PolarHBondContact O-N 3.1Å; T327-L330 PolarHBondContact O-N 2.76Å; L330-Q332 VanDerWaalsContact C-N 3.29Å; L330-Q332 PolarHBondContact O-N 3.22Å; L330-K333 PolarHBondContact O-N 2.92Å; L330-M334 VanDerWaalsContact O-CG 3.3Å; L330-M334 WeakPolarHBondContact O-CG 3.44Å; L330-M334 PolarHBondContact O-N 3.5Å |
| 331 | I | 66 | Low | 61.9 | Low | 46 Ų | 46 | 74.1 Ų | 74.1 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.8 | -45.2 | 174.2 | -71 | 166.1 | 0 | 0 | 0 | 110.9 | T327 K328 K333 M334 L335 F341 | T327-I331 HydrophobicContact CG2-CD1 3.93Å; T327-I331 VanDerWaalsContact O-CG1 3.24Å; T327-I331 WeakPolarHBondContact O-CG1 3.13Å; T327-I331 PolarHBondContact O-N 2.88Å; K328-I331 PolarHBondContact O-N 2.84Å; I331-K333 VanDerWaalsContact C-N 3.35Å; I331-K333 PolarHBondContact O-N 2.94Å; I331-M334 PolarHBondContact O-N 2.69Å; I331-L335 HydrophobicContact CG2-CD1 3.6Å; I331-L335 HydrophobicContact CG2-CG 4.1Å; I331-L335 WeakPolarHBondContact O-CB 3.27Å; I331-L335 VanDerWaalsContact O-CG 3.32Å; I331-L335 WeakPolarHBondContact O-CG 3.4Å; I331-L335 PolarHBondContact O-N 2.8Å; I331-F341 HydrophobicContact CD1-CD1 3.96Å; I331-F341 HydrophobicContact CD1-CE1 3.65Å; I331-F341 HydrophobicContact CD1-CZ 4.14Å; I331-F341 HydrophobicContact CG1-CD1 3.58Å; I331-F341 HydrophobicContact CG1-CD2 3.98Å; I331-F341 HydrophobicContact CG1-CE1 3.45Å; I331-F341 VanDerWaalsContact CG1-CE1 3.45Å; I331-F341 HydrophobicContact CG1-CE2 3.85Å; I331-F341 HydrophobicContact CG1-CG 3.85Å; I331-F341 HydrophobicContact CG1-CZ 3.59Å |
| 332 | Q | 63 | Low | 61.5 | Low | 108 Ų | 108 | 77.1 Ų | 77.1 | 51% | 0.505 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.9 | -31.3 | 179.5 | -73.4 | 178.7 | -66.6 | 0 | 0 | 113.5 | K328 H329 L330 | K328-Q332 WeakPolarHBondContact O-CB 3.37Å; K328-Q332 VanDerWaalsContact O-CG 3.3Å; K328-Q332 WeakPolarHBondContact O-CG 3.33Å; K328-Q332 PolarHBondContact O-N 2.94Å; H329-Q332 PolarHBondContact O-N 2.87Å; L330-Q332 VanDerWaalsContact C-N 3.29Å; L330-Q332 PolarHBondContact O-N 3.22Å |
| 333 | K | 62.9 | Low | 61.2 | Low | 103 Ų | 103 | 78.6 Ų | 78.6 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -74.4 | -40.6 | 170.3 | -75.7 | -163.2 | 176 | -168.5 | 0 | 112.3 | H329 L330 I331 | H329-K333 PolarHBondContact O-N 2.86Å; H329-K333 VanDerWaalsContact O-N 3.09Å; L330-K333 PolarHBondContact O-N 2.92Å; I331-K333 VanDerWaalsContact C-N 3.35Å; I331-K333 PolarHBondContact O-N 2.94Å |
| 334 | M | 61 | Low | 61 | Low | 9 Ų | 9 | 78.7 Ų | 78.7 | 4% | 0.044 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.9 | -36 | -176.6 | -70 | -60.2 | -58.2 | 0 | 0 | 114 | D262 P263 V265 L330 I331 N336 N337 F341 | D262-M334 HydrophobicContact CB-CE 4.06Å; D262-M334 HydrophobicContact CB-SD 3.81Å; P263-M334 HydrophobicContact CG-SD 4.33Å; V265-M334 HydrophobicContact CG2-CG 4.4Å; V265-M334 HydrophobicContact CG2-SD 4.1Å; L330-M334 VanDerWaalsContact O-CG 3.3Å; L330-M334 WeakPolarHBondContact O-CG 3.44Å; L330-M334 PolarHBondContact O-N 3.5Å; I331-M334 PolarHBondContact O-N 2.69Å; M334-N336 PolarHBondContact O-N 2.78Å; M334-N336 VanDerWaalsContact O-N 3.09Å; M334-N337 PolarHBondContact O-N 2.87Å; M334-N337 VanDerWaalsContact O-N 3.14Å; M334-F341 HydrophobicContact CB-CD2 4.32Å; M334-F341 HydrophobicContact CG-CD2 4.32Å |
| 335 | L | 53.6 | Low | 61.3 | Low | 106 Ų | 106 | 76 Ų | 76 | 56% | 0.555 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.7 | -174.1 | -82.3 | 169.7 | 0 | 0 | 0 | 115.2 | I331 N337 | I331-L335 HydrophobicContact CG2-CD1 3.6Å; I331-L335 HydrophobicContact CG2-CG 4.1Å; I331-L335 WeakPolarHBondContact O-CB 3.27Å; I331-L335 VanDerWaalsContact O-CG 3.32Å; I331-L335 WeakPolarHBondContact O-CG 3.4Å; I331-L335 PolarHBondContact O-N 2.8Å; L335-N337 VanDerWaalsContact C-N 3.28Å |
| 336 | N | 51.8 | Low | 61.8 | Low | 129 Ų | 129 | 71.7 Ų | 71.7 | 69% | 0.69 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -14.8 | 177.5 | -67.4 | -10.4 | 0 | 0 | 0 | 113 | M334 | M334-N336 PolarHBondContact O-N 2.78Å; M334-N336 VanDerWaalsContact O-N 3.09Å |
| 337 | N | 47.7 | Very low | 62.4 | Low | 81 Ų | 81 | 76.8 Ų | 76.8 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -112.1 | 158.5 | 177.2 | -78.1 | -38.2 | 0 | 0 | 0 | 111.1 | D262 M334 L335 P339 | D262-N337 VanDerWaalsContact CG-ND2 3.34Å; D262-N337 PolarHBondContact OD1-ND2 2.92Å; D262-N337 PolarHBondContact OD2-ND2 2.94Å; D262-N337 VanDerWaalsContact OD2-ND2 3.12Å; M334-N337 PolarHBondContact O-N 2.87Å; M334-N337 VanDerWaalsContact O-N 3.14Å; L335-N337 VanDerWaalsContact C-N 3.28Å; N337-P339 WeakPolarHBondContact O-CD 3.33Å |
| 338 | K | 48.6 | Very low | 62.9 | Low | 116 Ų | 116 | 75.9 Ų | 75.9 | 50% | 0.504 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -88.3 | 43.5 | -161 | -69.7 | 175.3 | 171.9 | 165.7 | 0 | 117.4 | M420 N422 | K338-M420 HydrophobicContact CD-CE 4.39Å; K338-M420 HydrophobicContact CG-CE 4.16Å; K338-N422 HydrophobicContact CD-CB 4.01Å; K338-N422 PolarHBondContact NZ-OD1 2.89Å |
| 339 | P | 48.4 | Very low | 63.4 | Low | 63 Ų | 63 | 70.7 Ų | 70.7 | 41% | 0.409 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -120.6 | 144.6 | 149.3 | 36.1 | -26.8 | 0 | 0 | 0 | 112.5 | N337 F341 | N337-P339 WeakPolarHBondContact O-CD 3.33Å; P339-F341 PolarHBondContact O-N 3.4Å |
| 340 | K | 53.2 | Low | 63.6 | Low | 156 Ų | 156 | 66.7 Ų | 66.7 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | trans | -71.5 | 129.4 | 178.2 | -63.4 | 175.1 | 179.8 | 174.8 | 0 | 109.5 | E342 D343 | K340-E342 PolarHBondContact O-N 2.92Å; K340-D343 WeakPolarHBondContact CB-OD2 3.08Å; K340-D343 WeakPolarHBondContact O-CB 3.47Å; K340-D343 PolarHBondContact O-N 2.9Å | ||
| 341 | F | 58.3 | Low | 63.6 | Low | 12 Ų | 12 | 71.7 Ų | 71.7 | 5% | 0.053 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -58.2 | -22.5 | 177.3 | -176.8 | -91.9 | 0 | 0 | 0 | 113.4 | L106 V265 I331 M334 P339 D343 Q344 K345 | L106-F341 HydrophobicContact CD1-CZ 4.36Å; V265-F341 HydrophobicContact CG1-CE2 4.05Å; I331-F341 HydrophobicContact CD1-CD1 3.96Å; I331-F341 HydrophobicContact CD1-CE1 3.65Å; I331-F341 HydrophobicContact CD1-CZ 4.14Å; I331-F341 HydrophobicContact CG1-CD1 3.58Å; I331-F341 HydrophobicContact CG1-CD2 3.98Å; I331-F341 HydrophobicContact CG1-CE1 3.45Å; I331-F341 VanDerWaalsContact CG1-CE1 3.45Å; I331-F341 HydrophobicContact CG1-CE2 3.85Å; I331-F341 HydrophobicContact CG1-CG 3.85Å; I331-F341 HydrophobicContact CG1-CZ 3.59Å; M334-F341 HydrophobicContact CB-CD2 4.32Å; M334-F341 HydrophobicContact CG-CD2 4.32Å; P339-F341 PolarHBondContact O-N 3.4Å; F341-D343 PolarHBondContact O-N 3.24Å; F341-Q344 PolarHBondContact O-N 2.97Å; F341-K345 HydrophobicContact CD1-CG 4.48Å; F341-K345 HydrophobicContact CE1-CG 4.25Å |
| 342 | E | 59.2 | Low | 63.1 | Low | 133 Ų | 133 | 71.8 Ų | 71.8 | 62% | 0.621 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -61.7 | -32.1 | 173.3 | -54.8 | -124.3 | 102.5 | 0 | 0 | 112.3 | K340 Q344 K345 | K340-E342 PolarHBondContact O-N 2.92Å; E342-Q344 PolarHBondContact O-N 2.81Å; E342-K345 WeakPolarHBondContact O-CB 3.15Å; E342-K345 PolarHBondContact O-N 3.47Å; E342-K345 IonicContact OE1-NZ 2.67Å; E342-K345 PolarHBondContact OE1-NZ 2.89Å |
| 343 | D | 59.2 | Low | 62.8 | Low | 97 Ų | 97 | 71 Ų | 71 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -72.2 | -5.9 | 176 | -51.9 | -36.5 | 0 | 0 | 0 | 112.4 | K340 F341 R371 | K340-D343 WeakPolarHBondContact CB-OD2 3.08Å; K340-D343 WeakPolarHBondContact O-CB 3.47Å; K340-D343 PolarHBondContact O-N 2.9Å; F341-D343 PolarHBondContact O-N 3.24Å; D343-R371 PolarHBondContact O-NH1 3.19Å |
| 344 | Q | 65.8 | Low | 62.4 | Low | 14 Ų | 14 | 72.2 Ų | 72.2 | 7% | 0.065 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -103.9 | -3 | 171.8 | -67.9 | 178.2 | -10.4 | 0 | 0 | 113 | V265 Q267 F341 E342 | V265-Q344 PolarHBondContact O-OE1 3.14Å; Q267-Q344 PolarHBondContact N-O 2.81Å; F341-Q344 PolarHBondContact O-N 2.97Å; E342-Q344 PolarHBondContact O-N 2.81Å |
| 345 | K | 77.1 | Confident | 62.6 | Low | 53 Ų | 53 | 72.2 Ų | 72.2 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 136.2 | 171.1 | -62.1 | 178.1 | -173.3 | 166 | 0 | 111.1 | Q267 F341 E342 R371 | Q267-K345 HydrophobicContact CB-CG 4.42Å; F341-K345 HydrophobicContact CD1-CG 4.48Å; F341-K345 HydrophobicContact CE1-CG 4.25Å; E342-K345 WeakPolarHBondContact O-CB 3.15Å; E342-K345 PolarHBondContact O-N 3.47Å; E342-K345 IonicContact OE1-NZ 2.67Å; E342-K345 PolarHBondContact OE1-NZ 2.89Å; K345-R371 PolarHBondContact O-NH1 3.36Å |
| 346 | L | 81.3 | Confident | 63.3 | Low | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.6 | 178.5 | -72 | 165 | 0 | 0 | 0 | 108.6 | L266 Q267 R268 E269 Y364 E367 F368 R371 | L266-L346 HydrophobicContact CD2-CD1 4.44Å; Q267-L346 PolarHBondContact O-N 2.69Å; R268-L346 WeakPolarHBondContact CA-O 3.36Å; E269-L346 PolarHBondContact N-O 3.12Å; L346-Y364 HydrophobicContact CB-CD2 3.85Å; L346-Y364 HydrophobicContact CB-CE2 3.68Å; L346-Y364 HydrophobicContact CD1-CE2 4.05Å; L346-Y364 HydrophobicContact CG-CE2 4.42Å; L346-E367 HydrophobicContact CD2-CB 4.09Å; L346-E367 VanDerWaalsContact CD2-CD 3.44Å; L346-E367 HydrophobicContact CD2-CG 3.61Å; L346-E367 VanDerWaalsContact CD2-OE2 3.32Å; L346-E367 WeakPolarHBondContact CD2-OE2 3.39Å; L346-F368 HydrophobicContact CD1-CB 3.98Å; L346-F368 HydrophobicContact CD1-CD2 3.73Å; L346-F368 HydrophobicContact CD1-CG 4.33Å; L346-R371 VanDerWaalsContact CD2-CZ 3.44Å |
| 347 | K | 81.8 | Confident | 64.4 | Low | 121 Ų | 121 | 63.7 Ų | 63.7 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.7 | -172.5 | -56.6 | -165.1 | -173.3 | -120.8 | 0 | 112.3 | E269 I271 | E269-K347 HydrophobicContact CB-CG 4.5Å; E269-K347 CarbonylContact O-C 3.48Å; E269-K347 WeakPolarHBondContact O-CA 3.3Å; E269-K347 WeakPolarHBondContact OE2-CD 3.46Å; E269-K347 WeakPolarHBondContact OE2-CE 3.45Å; E269-K347 IonicContact OE2-NZ 3.92Å; E269-K347 PolarHBondContact OE2-NZ 2.98Å; I271-K347 HydrophobicContact CD1-CB 3.94Å; I271-K347 HydrophobicContact CG1-CB 3.93Å; I271-K347 HydrophobicContact CG1-CD 4.44Å |
| 348 | V | 79.8 | Confident | 65.7 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133 | -173.7 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | R268 E269 I270 I271 I356 Y364 | R268-V348 HydrophobicContact CG-CB 4.42Å; R268-V348 HydrophobicContact CG-CG2 3.74Å; E269-V348 PolarHBondContact O-N 3.19Å; I270-V348 CarbonylContact C-O 3.55Å; I270-V348 WeakPolarHBondContact CA-O 3.42Å; I271-V348 PolarHBondContact N-O 2.83Å; V348-I356 HydrophobicContact CG1-CB 4.48Å; V348-I356 HydrophobicContact CG1-CD1 4.35Å; V348-I356 HydrophobicContact CG1-CG1 4.41Å; V348-I356 HydrophobicContact CG1-CG2 3.3Å; V348-Y364 HydrophobicContact CG2-CD1 3.73Å; V348-Y364 HydrophobicContact CG2-CD2 3.42Å; V348-Y364 VanDerWaalsContact CG2-CD2 3.42Å; V348-Y364 HydrophobicContact CG2-CE1 4.01Å; V348-Y364 HydrophobicContact CG2-CE2 3.73Å; V348-Y364 HydrophobicContact CG2-CG 3.43Å; V348-Y364 VanDerWaalsContact CG2-CG 3.43Å |
| 349 | L | 77.8 | Confident | 66.9 | Low | 24 Ų | 24 | 72 Ų | 72 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | trans | -93.2 | 121.7 | 179.2 | -175.3 | 66.3 | 0 | 0 | 0 | 111.1 | I271 D272 R351 I356 D357 F360 | I271-L349 HydrophobicContact CB-CD1 4.47Å; D272-L349 HydrophobicContact CB-CD1 4.37Å; D272-L349 VanDerWaalsContact OD2-CD1 3.25Å; D272-L349 WeakPolarHBondContact OD2-CD1 3.38Å; L349-R351 HydrophobicContact CD2-CG 4.35Å; L349-R351 HydrophobicContact CG-CG 4.33Å; L349-I356 WeakPolarHBondContact O-CG2 3.28Å; L349-D357 HydrophobicContact CB-CB 4.24Å; L349-D357 HydrophobicContact CD2-CB 4.2Å; L349-D357 HydrophobicContact CG-CB 4.36Å; L349-D357 PolarHBondContact O-N 3.25Å; L349-F360 HydrophobicContact CB-CB 4.1Å; L349-F360 HydrophobicContact CB-CD2 4.35Å; L349-F360 HydrophobicContact CB-CG 4.13Å; L349-F360 HydrophobicContact CD2-CD2 3.75Å; L349-F360 HydrophobicContact CD2-CE2 3.83Å; L349-F360 HydrophobicContact CD2-CG 4.34Å; L349-F360 HydrophobicContact CD2-CZ 4.48Å | ||
| 350 | W | 72 | Confident | 68.1 | Low | 12 Ų | 12 | 73.6 Ų | 73.6 | 5% | 0.045 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -96.7 | 135.9 | 169.8 | -163.8 | -82.9 | 0 | 0 | 0 | 110.2 | I270 D272 Y275 Y276 D279 I356 | I270-W350 HydrophobicContact CD1-CE3 4.27Å; I270-W350 HydrophobicContact CG2-CB 3.75Å; D272-W350 WeakPolarHBondContact CB-O 3.25Å; Y275-W350 PolarHBondContact O-NE1 3.36Å; Y276-W350 VanDerWaalsContact CA-CD1 3.5Å; Y276-W350 AromaticContact CD2-CD2 3.85Å; Y276-W350 HydrophobicContact CD2-CD2 3.85Å; Y276-W350 AromaticContact CD2-CE2 3.93Å; Y276-W350 AromaticContact CD2-CE3 3.68Å; Y276-W350 HydrophobicContact CD2-CE3 3.68Å; Y276-W350 AromaticContact CD2-CH2 3.74Å; Y276-W350 HydrophobicContact CD2-CH2 3.74Å; Y276-W350 AromaticContact CD2-CZ2 3.87Å; Y276-W350 HydrophobicContact CD2-CZ2 3.87Å; Y276-W350 AromaticContact CD2-CZ3 3.63Å; Y276-W350 HydrophobicContact CD2-CZ3 3.63Å; Y276-W350 HydrophobicContact CE2-CE3 4.49Å; Y276-W350 HydrophobicContact CE2-CH2 4.13Å; Y276-W350 HydrophobicContact CE2-CZ3 4.07Å; Y276-W350 HydrophobicContact CG-CD2 4.34Å; Y276-W350 HydrophobicContact CG-CE3 4.43Å; D279-W350 HydrophobicContact CB-CZ2 4.29Å; D279-W350 WeakPolarHBondContact OD2-CZ2 3.05Å; W350-I356 HydrophobicContact CE3-CB 4.49Å; W350-I356 HydrophobicContact CE3-CG1 3.5Å; W350-I356 VanDerWaalsContact CE3-CG1 3.5Å; W350-I356 HydrophobicContact CH2-CG1 4.48Å; W350-I356 HydrophobicContact CZ3-CD1 4.21Å; W350-I356 HydrophobicContact CZ3-CG1 3.47Å; W350-I356 VanDerWaalsContact CZ3-CG1 3.47Å |
| 351 | R | 66.7 | Low | 69.4 | Low | 122 Ų | 122 | 67.7 Ų | 67.7 | 46% | 0.46 | 32% | 0.319 | S | S | . | . | trans | -129 | 105.2 | 174 | -63.5 | -168.7 | -162.5 | -124.3 | 11 | 109.4 | L349 N354 G355 D357 | L349-R351 HydrophobicContact CD2-CG 4.35Å; L349-R351 HydrophobicContact CG-CG 4.33Å; R351-N354 CarbonylContact O-C 3.57Å; R351-N354 WeakPolarHBondContact O-CA 3.37Å; R351-N354 PolarHBondContact O-N 2.84Å; R351-G355 PolarHBondContact N-O 2.98Å; R351-G355 PolarHBondContact O-N 2.64Å; R351-D357 HydrophobicContact CG-CB 4.36Å; R351-D357 IonicContact CZ-OD2 2.65Å; R351-D357 IonicContact NE-OD2 2.65Å; R351-D357 PolarHBondContact NE-OD2 3.37Å; R351-D357 IonicContact NH2-OD2 3.05Å; R351-D357 PolarHBondContact NH2-OD2 3.44Å | ||
| 352 | S | 54.9 | Low | 70.4 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 139.1 | 168.6 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 353 | P | 57.2 | Low | 71.4 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 60% | 0.597 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93 | 11 | -5.2 | 39.1 | -36.3 | 0 | 0 | 0 | 113.4 | G355 | P353-G355 VanDerWaalsContact C-N 3.26Å; P353-G355 PolarHBondContact O-N 2.93Å |
| 354 | N | 54.6 | Low | 72.7 | Confident | 127 Ų | 127 | 67.3 Ų | 67.3 | 68% | 0.679 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -79.5 | 1.2 | -172.8 | -62.3 | -54.6 | 0 | 0 | 0 | 114.5 | R351 | R351-N354 CarbonylContact O-C 3.57Å; R351-N354 WeakPolarHBondContact O-CA 3.37Å; R351-N354 PolarHBondContact O-N 2.84Å |
| 355 | G | 65.9 | Low | 73.6 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 9% | 0.093 | 32% | 0.317 | C | S | . | . | trans | 70.5 | -140.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R351 P353 | R351-G355 PolarHBondContact N-O 2.98Å; R351-G355 PolarHBondContact O-N 2.64Å; P353-G355 VanDerWaalsContact C-N 3.26Å; P353-G355 PolarHBondContact O-N 2.93Å | ||
| 356 | I | 67.7 | Low | 73.9 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 18% | 0.179 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -69.7 | 133 | 173.4 | -49.3 | 175.1 | 0 | 0 | 0 | 109.8 | V348 L349 W350 R358 H361 | V348-I356 HydrophobicContact CG1-CB 4.48Å; V348-I356 HydrophobicContact CG1-CD1 4.35Å; V348-I356 HydrophobicContact CG1-CG1 4.41Å; V348-I356 HydrophobicContact CG1-CG2 3.3Å; L349-I356 WeakPolarHBondContact O-CG2 3.28Å; W350-I356 HydrophobicContact CE3-CB 4.49Å; W350-I356 HydrophobicContact CE3-CG1 3.5Å; W350-I356 VanDerWaalsContact CE3-CG1 3.5Å; W350-I356 HydrophobicContact CH2-CG1 4.48Å; W350-I356 HydrophobicContact CZ3-CD1 4.21Å; W350-I356 HydrophobicContact CZ3-CG1 3.47Å; W350-I356 VanDerWaalsContact CZ3-CG1 3.47Å; I356-R358 PolarHBondContact O-N 3.25Å; I356-R358 VanDerWaalsContact O-N 3.08Å; I356-H361 HydrophobicContact CB-CB 4.47Å; I356-H361 HydrophobicContact CG2-CB 3.69Å |
| 357 | D | 75.8 | Confident | 74 | Confident | 22 Ų | 22 | 72.3 Ų | 72.3 | 12% | 0.118 | 35% | 0.347 | C | S | . | . | trans | -56.8 | 114.4 | 174.5 | 178.1 | -53.8 | 0 | 0 | 0 | 110.7 | L349 R351 K359 F360 H361 | L349-D357 HydrophobicContact CB-CB 4.24Å; L349-D357 HydrophobicContact CD2-CB 4.2Å; L349-D357 HydrophobicContact CG-CB 4.36Å; L349-D357 PolarHBondContact O-N 3.25Å; R351-D357 HydrophobicContact CG-CB 4.36Å; R351-D357 IonicContact CZ-OD2 2.65Å; R351-D357 IonicContact NE-OD2 2.65Å; R351-D357 PolarHBondContact NE-OD2 3.37Å; R351-D357 IonicContact NH2-OD2 3.05Å; R351-D357 PolarHBondContact NH2-OD2 3.44Å; D357-K359 PolarHBondContact O-N 3.44Å; D357-K359 WeakPolarHBondContact OD1-CA 3.33Å; D357-K359 WeakPolarHBondContact OD1-CB 3.46Å; D357-K359 PolarHBondContact OD1-N 2.89Å; D357-F360 HydrophobicContact CB-CB 4.22Å; D357-F360 HydrophobicContact CB-CD2 4.26Å; D357-F360 PolarHBondContact O-N 2.73Å; D357-F360 PolarHBondContact OD1-N 2.71Å; D357-H361 WeakPolarHBondContact O-CB 3.45Å; D357-H361 PolarHBondContact O-N 3.37Å | ||
| 358 | R | 74.2 | Confident | 74.2 | Confident | 226 Ų | 226 | 66.6 Ų | 66.6 | 85% | 0.853 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -56.4 | -26.7 | -174.3 | -64 | -175.5 | -177.3 | -177.3 | 0.9 | 114.5 | I356 K362 | I356-R358 PolarHBondContact O-N 3.25Å; I356-R358 VanDerWaalsContact O-N 3.08Å; R358-K362 PolarHBondContact O-N 2.95Å |
| 359 | K | 74.2 | Confident | 74.5 | Confident | 145 Ų | 145 | 68 Ų | 68 | 63% | 0.63 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -81.5 | -56.6 | 178.4 | -167.5 | -161.9 | 170.2 | -159.7 | 0 | 110.2 | D357 H361 K362 D363 | D357-K359 PolarHBondContact O-N 3.44Å; D357-K359 WeakPolarHBondContact OD1-CA 3.33Å; D357-K359 WeakPolarHBondContact OD1-CB 3.46Å; D357-K359 PolarHBondContact OD1-N 2.89Å; K359-H361 PolarHBondContact O-N 2.93Å; K359-K362 PolarHBondContact O-N 2.82Å; K359-D363 VanDerWaalsContact O-CG 3.31Å; K359-D363 PolarHBondContact O-N 2.96Å |
| 360 | F | 74.1 | Confident | 74.8 | Confident | 97 Ų | 97 | 70.6 Ų | 70.6 | 43% | 0.425 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.3 | -30.6 | 176.8 | -78.1 | -89.8 | 0 | 0 | 0 | 111.8 | L349 D357 Y364 | L349-F360 HydrophobicContact CB-CB 4.1Å; L349-F360 HydrophobicContact CB-CD2 4.35Å; L349-F360 HydrophobicContact CB-CG 4.13Å; L349-F360 HydrophobicContact CD2-CD2 3.75Å; L349-F360 HydrophobicContact CD2-CE2 3.83Å; L349-F360 HydrophobicContact CD2-CG 4.34Å; L349-F360 HydrophobicContact CD2-CZ 4.48Å; D357-F360 HydrophobicContact CB-CB 4.22Å; D357-F360 HydrophobicContact CB-CD2 4.26Å; D357-F360 PolarHBondContact O-N 2.73Å; D357-F360 PolarHBondContact OD1-N 2.71Å; F360-Y364 VanDerWaalsContact O-CB 3.22Å; F360-Y364 WeakPolarHBondContact O-CB 3.43Å; F360-Y364 PolarHBondContact O-N 2.81Å |
| 361 | H | 80.1 | Confident | 75.4 | Confident | 31 Ų | 31 | 73 Ų | 73 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 173.2 | -161.1 | -153 | 0 | 0 | 0 | 112.6 | L38 I356 D357 K359 D363 Y364 L365 | L38-H361 WeakPolarHBondContact CD2-CE1 3.5Å; I356-H361 HydrophobicContact CB-CB 4.47Å; I356-H361 HydrophobicContact CG2-CB 3.69Å; D357-H361 WeakPolarHBondContact O-CB 3.45Å; D357-H361 PolarHBondContact O-N 3.37Å; K359-H361 PolarHBondContact O-N 2.93Å; H361-D363 VanDerWaalsContact C-N 3.35Å; H361-Y364 AromaticContact CD2-CD1 3.66Å; H361-Y364 PolarHBondContact O-N 3.2Å; H361-L365 WeakPolarHBondContact O-CB 3.15Å; H361-L365 WeakPolarHBondContact O-CG 3.27Å; H361-L365 PolarHBondContact O-N 2.71Å |
| 362 | K | 79.7 | Confident | 76.4 | Confident | 157 Ų | 157 | 67.2 Ų | 67.2 | 68% | 0.683 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 175.6 | -176.8 | 175.2 | 179.1 | 175.6 | 0 | 111.1 | R358 K359 L365 S366 | R358-K362 PolarHBondContact O-N 2.95Å; K359-K362 PolarHBondContact O-N 2.82Å; K362-L365 PolarHBondContact O-N 3.36Å; K362-S366 PolarHBondContact O-N 3.09Å; K362-S366 PolarHBondContact O-OG 2.74Å |
| 363 | D | 80.1 | Confident | 77.9 | Confident | 74 Ų | 74 | 68.4 Ų | 68.4 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -51.8 | 176.4 | -59 | -23.5 | 0 | 0 | 0 | 109.3 | K359 H361 L365 S366 E367 | K359-D363 VanDerWaalsContact O-CG 3.31Å; K359-D363 PolarHBondContact O-N 2.96Å; H361-D363 VanDerWaalsContact C-N 3.35Å; D363-L365 PolarHBondContact O-N 3.21Å; D363-S366 PolarHBondContact O-N 2.74Å; D363-S366 PolarHBondContact O-OG 2.79Å; D363-E367 PolarHBondContact O-N 2.94Å |
| 364 | Y | 86.2 | Confident | 79.2 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -53.1 | -47.4 | 172 | 159.7 | -103 | 0 | 0 | 0 | 113.8 | E39 R268 L346 V348 F360 H361 S366 E367 F368 | E39-Y364 HydrophobicContact CG-CE1 4.15Å; E39-Y364 WeakPolarHBondContact OE1-CE1 3.21Å; E39-Y364 PolarHBondContact OE1-OH 3.06Å; R268-Y364 HydrophobicContact CB-CE2 4.46Å; R268-Y364 VanDerWaalsContact CD-OH 3.22Å; R268-Y364 WeakPolarHBondContact CD-OH 3.35Å; R268-Y364 HydrophobicContact CG-CE2 3.95Å; L346-Y364 HydrophobicContact CB-CD2 3.85Å; L346-Y364 HydrophobicContact CB-CE2 3.68Å; L346-Y364 HydrophobicContact CD1-CE2 4.05Å; L346-Y364 HydrophobicContact CG-CE2 4.42Å; V348-Y364 HydrophobicContact CG2-CD1 3.73Å; V348-Y364 HydrophobicContact CG2-CD2 3.42Å; V348-Y364 VanDerWaalsContact CG2-CD2 3.42Å; V348-Y364 HydrophobicContact CG2-CE1 4.01Å; V348-Y364 HydrophobicContact CG2-CE2 3.73Å; V348-Y364 HydrophobicContact CG2-CG 3.43Å; V348-Y364 VanDerWaalsContact CG2-CG 3.43Å; F360-Y364 VanDerWaalsContact O-CB 3.22Å; F360-Y364 WeakPolarHBondContact O-CB 3.43Å; F360-Y364 PolarHBondContact O-N 2.81Å; H361-Y364 AromaticContact CD2-CD1 3.66Å; H361-Y364 PolarHBondContact O-N 3.2Å; Y364-S366 VanDerWaalsContact C-N 3.33Å; Y364-S366 PolarHBondContact O-N 2.76Å; Y364-E367 PolarHBondContact O-N 2.85Å; Y364-F368 HydrophobicContact CE2-CB 4.33Å; Y364-F368 HydrophobicContact CE2-CD2 4.44Å; Y364-F368 VanDerWaalsContact O-CB 3.22Å; Y364-F368 WeakPolarHBondContact O-CB 3.47Å; Y364-F368 PolarHBondContact O-N 3.48Å |
| 365 | L | 83.9 | Confident | 80.5 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -36.5 | -178.2 | -73.6 | 169.1 | 0 | 0 | 0 | 111.7 | L38 E39 I42 H361 K362 D363 V369 | L38-L365 HydrophobicContact CD2-CD1 3.83Å; E39-L365 HydrophobicContact CG-CD2 3.97Å; I42-L365 HydrophobicContact CD1-CD1 3.82Å; I42-L365 HydrophobicContact CD1-CD2 3.88Å; I42-L365 HydrophobicContact CD1-CG 4.3Å; H361-L365 WeakPolarHBondContact O-CB 3.15Å; H361-L365 WeakPolarHBondContact O-CG 3.27Å; H361-L365 PolarHBondContact O-N 2.71Å; K362-L365 PolarHBondContact O-N 3.36Å; D363-L365 PolarHBondContact O-N 3.21Å; L365-V369 WeakPolarHBondContact O-CB 3.28Å; L365-V369 VanDerWaalsContact O-CG2 3.31Å; L365-V369 WeakPolarHBondContact O-CG2 3.25Å; L365-V369 PolarHBondContact O-N 3.03Å |
| 366 | S | 82.8 | Confident | 81.4 | Confident | 70 Ų | 70 | 63.5 Ų | 63.5 | 49% | 0.49 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.2 | -38.1 | 173.9 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | K362 D363 Y364 T370 | K362-S366 PolarHBondContact O-N 3.09Å; K362-S366 PolarHBondContact O-OG 2.74Å; D363-S366 PolarHBondContact O-N 2.74Å; D363-S366 PolarHBondContact O-OG 2.79Å; Y364-S366 VanDerWaalsContact C-N 3.33Å; Y364-S366 PolarHBondContact O-N 2.76Å; S366-T370 WeakPolarHBondContact O-CB 3.35Å; S366-T370 PolarHBondContact O-N 3.26Å; S366-T370 VanDerWaalsContact O-N 3.1Å; S366-T370 PolarHBondContact O-OG1 2.93Å |
| 367 | E | 84.5 | Confident | 82.3 | Confident | 80 Ų | 80 | 62.3 Ų | 62.3 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.4 | -44.3 | 176.1 | -165.5 | 179.1 | -162.2 | 0 | 0 | 111.6 | L346 D363 Y364 T370 R371 | L346-E367 HydrophobicContact CD2-CB 4.09Å; L346-E367 VanDerWaalsContact CD2-CD 3.44Å; L346-E367 HydrophobicContact CD2-CG 3.61Å; L346-E367 VanDerWaalsContact CD2-OE2 3.32Å; L346-E367 WeakPolarHBondContact CD2-OE2 3.39Å; D363-E367 PolarHBondContact O-N 2.94Å; Y364-E367 PolarHBondContact O-N 2.85Å; E367-T370 PolarHBondContact O-N 3.22Å; E367-R371 HydrophobicContact CG-CG 4.47Å; E367-R371 WeakPolarHBondContact O-CB 3.46Å; E367-R371 WeakPolarHBondContact O-CG 3.4Å; E367-R371 PolarHBondContact O-N 2.85Å; E367-R371 IonicContact OE1-CZ 3.82Å; E367-R371 IonicContact OE1-NE 2.62Å; E367-R371 PolarHBondContact OE1-NE 3.31Å; E367-R371 IonicContact OE1-NH2 2.74Å; E367-R371 PolarHBondContact OE1-NH2 3.3Å; E367-R371 IonicContact OE2-NH2 3.71Å |
| 368 | F | 87 | Confident | 82.5 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.2 | -50.4 | 175.7 | 177.1 | -91.3 | 0 | 0 | 0 | 111.8 | E39 L43 L105 L266 L346 Y364 T370 R371 F372 | E39-F368 HydrophobicContact CB-CD1 4.28Å; E39-F368 HydrophobicContact CB-CE1 3.65Å; E39-F368 HydrophobicContact CB-CZ 3.81Å; E39-F368 HydrophobicContact CG-CD1 4.15Å; E39-F368 HydrophobicContact CG-CE1 3.97Å; E39-F368 HydrophobicContact CG-CE2 4.35Å; E39-F368 HydrophobicContact CG-CG 4.44Å; E39-F368 HydrophobicContact CG-CZ 4.08Å; L43-F368 HydrophobicContact CD1-CE1 3.74Å; L43-F368 HydrophobicContact CD1-CZ 4.02Å; L43-F368 HydrophobicContact CD2-CE1 3.94Å; L43-F368 HydrophobicContact CG-CE1 3.81Å; L105-F368 HydrophobicContact CD1-CZ 4.06Å; L105-F368 HydrophobicContact CD2-CE2 4.12Å; L105-F368 HydrophobicContact CD2-CZ 4.03Å; L266-F368 HydrophobicContact CB-CE2 4.42Å; L266-F368 HydrophobicContact CD1-CD2 4.14Å; L266-F368 HydrophobicContact CD1-CE2 3.77Å; L266-F368 HydrophobicContact CD1-CZ 4.31Å; L346-F368 HydrophobicContact CD1-CB 3.98Å; L346-F368 HydrophobicContact CD1-CD2 3.73Å; L346-F368 HydrophobicContact CD1-CG 4.33Å; Y364-F368 HydrophobicContact CE2-CB 4.33Å; Y364-F368 HydrophobicContact CE2-CD2 4.44Å; Y364-F368 VanDerWaalsContact O-CB 3.22Å; Y364-F368 WeakPolarHBondContact O-CB 3.47Å; Y364-F368 PolarHBondContact O-N 3.48Å; F368-T370 VanDerWaalsContact C-N 3.33Å; F368-T370 PolarHBondContact O-N 3.46Å; F368-R371 PolarHBondContact O-N 2.67Å; F368-F372 WeakPolarHBondContact O-CB 3.46Å; F368-F372 PolarHBondContact O-N 2.86Å |
| 369 | V | 85.6 | Confident | 82.8 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 17% | 0.17 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 176.9 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | I42 T47 L365 K373 | I42-V369 HydrophobicContact CG2-CG2 3.51Å; T47-V369 HydrophobicContact CG2-CG1 4.26Å; L365-V369 WeakPolarHBondContact O-CB 3.28Å; L365-V369 VanDerWaalsContact O-CG2 3.31Å; L365-V369 WeakPolarHBondContact O-CG2 3.25Å; L365-V369 PolarHBondContact O-N 3.03Å; V369-K373 VanDerWaalsContact O-CB 3.25Å; V369-K373 WeakPolarHBondContact O-CB 3.49Å; V369-K373 PolarHBondContact O-N 2.94Å |
| 370 | T | 84.5 | Confident | 83.2 | Confident | 79 Ų | 79 | 47.2 Ų | 47.2 | 49% | 0.485 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.1 | -48.6 | 179.9 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | S366 E367 F368 K373 N374 | S366-T370 WeakPolarHBondContact O-CB 3.35Å; S366-T370 PolarHBondContact O-N 3.26Å; S366-T370 VanDerWaalsContact O-N 3.1Å; S366-T370 PolarHBondContact O-OG1 2.93Å; E367-T370 PolarHBondContact O-N 3.22Å; F368-T370 VanDerWaalsContact C-N 3.33Å; F368-T370 PolarHBondContact O-N 3.46Å; T370-K373 PolarHBondContact O-N 3.42Å; T370-N374 VanDerWaalsContact O-CG 3.31Å; T370-N374 PolarHBondContact O-N 3.19Å; T370-N374 VanDerWaalsContact O-N 3.09Å; T370-N374 PolarHBondContact O-OD1 3.49Å |
| 371 | R | 83.5 | Confident | 83.6 | Confident | 63 Ų | 63 | 43.9 Ų | 43.9 | 24% | 0.238 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.4 | -68.4 | -167.7 | -166.2 | 178 | 10.1 | 111.5 | L266 D343 K345 L346 E367 F368 N374 L375 | L266-R371 HydrophobicContact CD2-CB 4.28Å; D343-R371 PolarHBondContact O-NH1 3.19Å; K345-R371 PolarHBondContact O-NH1 3.36Å; L346-R371 VanDerWaalsContact CD2-CZ 3.44Å; E367-R371 HydrophobicContact CG-CG 4.47Å; E367-R371 WeakPolarHBondContact O-CB 3.46Å; E367-R371 WeakPolarHBondContact O-CG 3.4Å; E367-R371 PolarHBondContact O-N 2.85Å; E367-R371 IonicContact OE1-CZ 3.82Å; E367-R371 IonicContact OE1-NE 2.62Å; E367-R371 PolarHBondContact OE1-NE 3.31Å; E367-R371 IonicContact OE1-NH2 2.74Å; E367-R371 PolarHBondContact OE1-NH2 3.3Å; E367-R371 IonicContact OE2-NH2 3.71Å; F368-R371 PolarHBondContact O-N 2.67Å; R371-N374 PolarHBondContact O-N 2.78Å; R371-L375 WeakPolarHBondContact O-CB 3.29Å; R371-L375 VanDerWaalsContact O-CG 3.28Å; R371-L375 WeakPolarHBondContact O-CG 3.47Å; R371-L375 PolarHBondContact O-N 3.46Å |
| 372 | F | 87.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 176 | -178.5 | -81.9 | 0 | 0 | 0 | 112.1 | L43 T47 Y48 I51 F65 I103 L266 F368 N374 L375 A376 | L43-F372 HydrophobicContact CD1-CD1 4.49Å; L43-F372 HydrophobicContact CD1-CD2 3.71Å; L43-F372 HydrophobicContact CD1-CE1 4.29Å; L43-F372 HydrophobicContact CD1-CE2 3.46Å; L43-F372 VanDerWaalsContact CD1-CE2 3.46Å; L43-F372 HydrophobicContact CD1-CG 4.22Å; L43-F372 HydrophobicContact CD1-CZ 3.77Å; L43-F372 HydrophobicContact CD2-CB 3.98Å; L43-F372 HydrophobicContact CD2-CD1 3.4Å; L43-F372 HydrophobicContact CD2-CD2 3.88Å; L43-F372 HydrophobicContact CD2-CE1 3.72Å; L43-F372 HydrophobicContact CD2-CE2 4.16Å; L43-F372 HydrophobicContact CD2-CG 3.48Å; L43-F372 VanDerWaalsContact CD2-CG 3.48Å; L43-F372 HydrophobicContact CD2-CZ 4.08Å; L43-F372 HydrophobicContact CG-CD2 4.46Å; L43-F372 HydrophobicContact CG-CE1 4.49Å; L43-F372 HydrophobicContact CG-CE2 4.42Å; L43-F372 HydrophobicContact CG-CZ 4.43Å; T47-F372 HydrophobicContact CG2-CD1 4.07Å; Y48-F372 HydrophobicContact CE1-CZ 4.34Å; I51-F372 HydrophobicContact CD1-CD1 3.87Å; I51-F372 HydrophobicContact CD1-CE1 3.54Å; F65-F372 HydrophobicContact CE1-CE1 4.17Å; F65-F372 AromaticContact CE1-CZ 3.97Å; F65-F372 HydrophobicContact CE1-CZ 3.97Å; I103-F372 HydrophobicContact CD1-CE2 3.84Å; I103-F372 HydrophobicContact CD1-CZ 3.72Å; I103-F372 HydrophobicContact CG1-CE2 4.45Å; I103-F372 HydrophobicContact CG2-CE2 3.84Å; L266-F372 HydrophobicContact CD1-CB 4.08Å; L266-F372 HydrophobicContact CD1-CD2 4.11Å; F368-F372 WeakPolarHBondContact O-CB 3.46Å; F368-F372 PolarHBondContact O-N 2.86Å; F372-N374 VanDerWaalsContact C-N 3.33Å; F372-N374 PolarHBondContact O-N 3.26Å; F372-L375 PolarHBondContact O-N 3.01Å; F372-A376 HydrophobicContact CD1-CB 4.48Å; F372-A376 HydrophobicContact CE1-CB 4.35Å; F372-A376 VanDerWaalsContact O-CB 3.24Å; F372-A376 WeakPolarHBondContact O-CB 3.32Å; F372-A376 PolarHBondContact O-N 2.97Å |
| 373 | K | 85.7 | Confident | 83.3 | Confident | 74 Ų | 74 | 39.5 Ų | 39.5 | 32% | 0.322 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.8 | -44.9 | -179.6 | -174.8 | 170.9 | 173.4 | 175.9 | 0 | 111.1 | T47 D50 I51 V369 T370 C377 | T47-K373 HydrophobicContact CG2-CB 3.8Å; T47-K373 HydrophobicContact CG2-CD 4.3Å; T47-K373 HydrophobicContact CG2-CG 4.16Å; D50-K373 IonicContact OD2-NZ 3.93Å; D50-K373 PolarHBondContact OD2-NZ 3.46Å; I51-K373 HydrophobicContact CG1-CG 4.35Å; V369-K373 VanDerWaalsContact O-CB 3.25Å; V369-K373 WeakPolarHBondContact O-CB 3.49Å; V369-K373 PolarHBondContact O-N 2.94Å; T370-K373 PolarHBondContact O-N 3.42Å; K373-C377 WeakPolarHBondContact O-CB 3.18Å; K373-C377 PolarHBondContact O-N 2.94Å; K373-C377 PolarHBondContact O-SG 3.14Å; K373-C377 VanDerWaalsContact O-SG 3.32Å |
| 374 | N | 84.5 | Confident | 83 | Confident | 90 Ų | 90 | 36 Ų | 36 | 48% | 0.481 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.9 | -54.2 | 176.7 | -66.6 | 0.7 | 0 | 0 | 0 | 111.2 | T370 R371 F372 A376 C377 D378 | T370-N374 VanDerWaalsContact O-CG 3.31Å; T370-N374 PolarHBondContact O-N 3.19Å; T370-N374 VanDerWaalsContact O-N 3.09Å; T370-N374 PolarHBondContact O-OD1 3.49Å; R371-N374 PolarHBondContact O-N 2.78Å; F372-N374 VanDerWaalsContact C-N 3.33Å; F372-N374 PolarHBondContact O-N 3.26Å; N374-A376 VanDerWaalsContact C-N 3.26Å; N374-A376 PolarHBondContact O-N 3.49Å; N374-C377 CarbonylContact O-C 3.49Å; N374-C377 WeakPolarHBondContact O-CA 3.44Å; N374-C377 WeakPolarHBondContact O-CB 3.3Å; N374-C377 PolarHBondContact O-N 3.12Å; N374-D378 PolarHBondContact O-N 3.26Å |
| 375 | L | 83.2 | Confident | 82.2 | Confident | 34 Ų | 34 | 38.1 Ų | 38.1 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.9 | -33.9 | -179.6 | -68.9 | 170.1 | 0 | 0 | 0 | 113.2 | I264 L266 R371 F372 A379 | I264-L375 HydrophobicContact CD1-CB 4.46Å; I264-L375 HydrophobicContact CG1-CB 4.4Å; I264-L375 HydrophobicContact CG2-CB 3.98Å; I264-L375 HydrophobicContact CG2-CD1 4.16Å; L266-L375 HydrophobicContact CD2-CD1 3.82Å; L266-L375 HydrophobicContact CG-CD1 4.32Å; R371-L375 WeakPolarHBondContact O-CB 3.29Å; R371-L375 VanDerWaalsContact O-CG 3.28Å; R371-L375 WeakPolarHBondContact O-CG 3.47Å; R371-L375 PolarHBondContact O-N 3.46Å; F372-L375 PolarHBondContact O-N 3.01Å; L375-A379 VanDerWaalsContact O-CB 3.28Å; L375-A379 WeakPolarHBondContact O-CB 3.4Å; L375-A379 PolarHBondContact O-N 3.47Å |
| 376 | A | 84.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.6 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F27 I51 I264 F372 N374 A379 I380 | F27-A376 HydrophobicContact CZ-CB 4.25Å; I51-A376 HydrophobicContact CD1-CB 3.6Å; I51-A376 HydrophobicContact CG1-CB 4.2Å; I51-A376 HydrophobicContact CG2-CB 4.19Å; I264-A376 HydrophobicContact CD1-CB 4.22Å; F372-A376 HydrophobicContact CD1-CB 4.48Å; F372-A376 HydrophobicContact CE1-CB 4.35Å; F372-A376 VanDerWaalsContact O-CB 3.24Å; F372-A376 WeakPolarHBondContact O-CB 3.32Å; F372-A376 PolarHBondContact O-N 2.97Å; N374-A376 VanDerWaalsContact C-N 3.26Å; N374-A376 PolarHBondContact O-N 3.49Å; A376-A379 PolarHBondContact O-N 2.79Å; A376-I380 WeakPolarHBondContact O-CD1 3.24Å; A376-I380 WeakPolarHBondContact O-CG1 3.46Å; A376-I380 PolarHBondContact O-N 2.71Å |
| 377 | C | 86.1 | Confident | 80.6 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 168.7 | -76 | 0 | 0 | 0 | 0 | 111.2 | Y54 K373 N374 A379 I380 D381 | Y54-C377 HydrophobicContact CD1-CB 4.28Å; Y54-C377 VanDerWaalsContact CD1-SG 3.56Å; Y54-C377 HydrophobicContact CE1-CB 3.67Å; Y54-C377 VanDerWaalsContact CE1-SG 3.52Å; Y54-C377 HydrophobicContact CE2-CB 4.38Å; Y54-C377 VanDerWaalsContact CZ-SG 3.6Å; K373-C377 WeakPolarHBondContact O-CB 3.18Å; K373-C377 PolarHBondContact O-N 2.94Å; K373-C377 PolarHBondContact O-SG 3.14Å; K373-C377 VanDerWaalsContact O-SG 3.32Å; N374-C377 CarbonylContact O-C 3.49Å; N374-C377 WeakPolarHBondContact O-CA 3.44Å; N374-C377 WeakPolarHBondContact O-CB 3.3Å; N374-C377 PolarHBondContact O-N 3.12Å; C377-A379 VanDerWaalsContact C-N 3.3Å; C377-A379 PolarHBondContact O-N 3.12Å; C377-I380 CarbonylContact O-C 3.36Å; C377-I380 WeakPolarHBondContact O-CB 3.37Å; C377-I380 PolarHBondContact O-N 2.79Å; C377-I380 VanDerWaalsContact O-N 3.15Å; C377-D381 WeakPolarHBondContact O-CB 3.38Å; C377-D381 PolarHBondContact O-N 2.84Å |
| 378 | D | 80.6 | Confident | 79.5 | Confident | 76 Ų | 76 | 32.8 Ų | 32.8 | 41% | 0.406 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.1 | -31.8 | 178 | -60.1 | -28.5 | 0 | 0 | 0 | 112.9 | N374 R382 | N374-D378 PolarHBondContact O-N 3.26Å; D378-R382 WeakPolarHBondContact O-CB 3.45Å; D378-R382 WeakPolarHBondContact O-CG 3.49Å; D378-R382 PolarHBondContact O-N 2.86Å; D378-R382 VanDerWaalsContact O-N 3.07Å; D378-R382 PolarHBondContact O-NE 3.07Å |
| 379 | A | 80 | Confident | 78 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.6 | -32.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F27 I264 L375 A376 C377 R383 | F27-A379 HydrophobicContact CE1-CB 4.06Å; F27-A379 HydrophobicContact CZ-CB 4.16Å; I264-A379 HydrophobicContact CD1-CB 3.83Å; I264-A379 HydrophobicContact CG1-CB 4.2Å; L375-A379 VanDerWaalsContact O-CB 3.28Å; L375-A379 WeakPolarHBondContact O-CB 3.4Å; L375-A379 PolarHBondContact O-N 3.47Å; A376-A379 PolarHBondContact O-N 2.79Å; C377-A379 VanDerWaalsContact C-N 3.3Å; C377-A379 PolarHBondContact O-N 3.12Å; A379-R383 WeakPolarHBondContact O-CB 3.28Å; A379-R383 WeakPolarHBondContact O-CG 3.45Å; A379-R383 PolarHBondContact O-N 3.13Å |
| 380 | I | 84.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.8 | -48.5 | 168 | -76.4 | 156.2 | 0 | 0 | 0 | 109.9 | I25 F27 I51 Y59 V63 A376 C377 R382 R383 A384 | I25-I380 HydrophobicContact CD1-CB 4.43Å; I25-I380 HydrophobicContact CD1-CG1 4.17Å; I25-I380 HydrophobicContact CD1-CG2 4.25Å; F27-I380 HydrophobicContact CE2-CD1 3.92Å; F27-I380 HydrophobicContact CE2-CG1 3.86Å; F27-I380 HydrophobicContact CZ-CD1 4.28Å; F27-I380 HydrophobicContact CZ-CG1 3.96Å; I51-I380 HydrophobicContact CG2-CD1 3.28Å; Y59-I380 HydrophobicContact CD2-CG2 3.88Å; Y59-I380 HydrophobicContact CE2-CG2 3.98Å; V63-I380 HydrophobicContact CG2-CD1 3.97Å; V63-I380 HydrophobicContact CG2-CG1 4.42Å; A376-I380 WeakPolarHBondContact O-CD1 3.24Å; A376-I380 WeakPolarHBondContact O-CG1 3.46Å; A376-I380 PolarHBondContact O-N 2.71Å; C377-I380 CarbonylContact O-C 3.36Å; C377-I380 WeakPolarHBondContact O-CB 3.37Å; C377-I380 PolarHBondContact O-N 2.79Å; C377-I380 VanDerWaalsContact O-N 3.15Å; I380-R382 PolarHBondContact O-N 3.39Å; I380-R383 CarbonylContact O-C 3.56Å; I380-R383 PolarHBondContact O-N 3.28Å; I380-A384 WeakPolarHBondContact O-CA 3.42Å; I380-A384 WeakPolarHBondContact O-CB 3.21Å; I380-A384 PolarHBondContact O-N 3.4Å |
| 381 | D | 81.6 | Confident | 75.1 | Confident | 27 Ų | 27 | 38.6 Ų | 38.6 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.2 | -48.7 | -179.9 | -89.2 | 39.5 | 0 | 0 | 0 | 111.7 | Y54 K58 Y59 C377 A384 K385 | Y54-D381 PolarHBondContact OH-OD1 2.83Å; K58-D381 VanDerWaalsContact CE-OD1 3.29Å; K58-D381 WeakPolarHBondContact CE-OD1 2.97Å; K58-D381 IonicContact NZ-OD1 3.33Å; K58-D381 PolarHBondContact NZ-OD1 2.85Å; K58-D381 IonicContact NZ-OD2 3.59Å; K58-D381 PolarHBondContact NZ-OD2 3.28Å; Y59-D381 WeakPolarHBondContact CE2-OD1 3.45Å; Y59-D381 VanDerWaalsContact OH-CG 3.31Å; Y59-D381 PolarHBondContact OH-OD1 3.41Å; Y59-D381 PolarHBondContact OH-OD2 3.36Å; C377-D381 WeakPolarHBondContact O-CB 3.38Å; C377-D381 PolarHBondContact O-N 2.84Å; D381-A384 PolarHBondContact O-N 3.45Å; D381-K385 VanDerWaalsContact O-CB 3.3Å; D381-K385 WeakPolarHBondContact O-CB 3.15Å; D381-K385 VanDerWaalsContact O-CG 3.24Å; D381-K385 WeakPolarHBondContact O-CG 3.46Å; D381-K385 PolarHBondContact O-N 3.3Å |
| 382 | R | 74.1 | Confident | 73.1 | Confident | 95 Ų | 95 | 38.7 Ų | 38.7 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.4 | -43.7 | 177.1 | -73.5 | 176.1 | -71.9 | 166.9 | -2.3 | 112.1 | D262 D378 I380 A386 | D262-R382 IonicContact OD2-NH1 2.64Å; D378-R382 WeakPolarHBondContact O-CB 3.45Å; D378-R382 WeakPolarHBondContact O-CG 3.49Å; D378-R382 PolarHBondContact O-N 2.86Å; D378-R382 VanDerWaalsContact O-N 3.07Å; D378-R382 PolarHBondContact O-NE 3.07Å; I380-R382 PolarHBondContact O-N 3.39Å; R382-A386 WeakPolarHBondContact O-CB 3.4Å; R382-A386 PolarHBondContact O-N 2.88Å |
| 383 | R | 79.5 | Confident | 70.7 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.8 | -33.5 | 177.3 | -75.7 | 177.6 | 172.3 | 77.2 | 4.1 | 113.6 | I25 N96 D97 C100 S101 S261 A379 I380 A386 K387 | I25-R383 HydrophobicContact CD1-CB 3.99Å; N96-R383 PolarHBondContact OD1-NH2 2.84Å; D97-R383 PolarHBondContact O-NE 3.01Å; D97-R383 PolarHBondContact O-NH2 3.37Å; C100-R383 PolarHBondContact O-NE 3.06Å; C100-R383 VanDerWaalsContact O-NE 3.11Å; C100-R383 PolarHBondContact O-NH2 2.76Å; S101-R383 PolarHBondContact OG-NH1 2.93Å; S101-R383 VanDerWaalsContact OG-NH1 3.13Å; S261-R383 PolarHBondContact OG-NH1 2.95Å; A379-R383 WeakPolarHBondContact O-CB 3.28Å; A379-R383 WeakPolarHBondContact O-CG 3.45Å; A379-R383 PolarHBondContact O-N 3.13Å; I380-R383 CarbonylContact O-C 3.56Å; I380-R383 PolarHBondContact O-N 3.28Å; R383-A386 PolarHBondContact O-N 3.39Å; R383-K387 WeakPolarHBondContact O-CB 3.48Å; R383-K387 VanDerWaalsContact O-CG 3.28Å; R383-K387 WeakPolarHBondContact O-CG 3.29Å; R383-K387 PolarHBondContact O-N 2.77Å |
| 384 | A | 74.3 | Confident | 68.4 | Low | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.9 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y59 L61 I380 D381 A386 K387 V388 | Y59-A384 HydrophobicContact CD1-CB 3.68Å; Y59-A384 HydrophobicContact CD2-CB 3.51Å; Y59-A384 HydrophobicContact CE1-CB 3.66Å; Y59-A384 HydrophobicContact CE2-CB 3.5Å; Y59-A384 VanDerWaalsContact CE2-CB 3.5Å; Y59-A384 HydrophobicContact CG-CB 3.59Å; L61-A384 HydrophobicContact CD1-CB 3.88Å; I380-A384 WeakPolarHBondContact O-CA 3.42Å; I380-A384 WeakPolarHBondContact O-CB 3.21Å; I380-A384 PolarHBondContact O-N 3.4Å; D381-A384 PolarHBondContact O-N 3.45Å; A384-A386 PolarHBondContact O-N 3.1Å; A384-K387 PolarHBondContact O-N 3.33Å; A384-V388 WeakPolarHBondContact O-CB 3.38Å; A384-V388 VanDerWaalsContact O-CG2 3.28Å; A384-V388 WeakPolarHBondContact O-CG2 3.45Å; A384-V388 PolarHBondContact O-N 2.89Å |
| 385 | K | 69.2 | Low | 66 | Low | 47 Ų | 47 | 39.2 Ų | 39.2 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.1 | -48.3 | 169.1 | -74.5 | -178 | -179.1 | -149.4 | 0 | 111.5 | D381 K387 V388 A389 M397 L400 | D381-K385 VanDerWaalsContact O-CB 3.3Å; D381-K385 WeakPolarHBondContact O-CB 3.15Å; D381-K385 VanDerWaalsContact O-CG 3.24Å; D381-K385 WeakPolarHBondContact O-CG 3.46Å; D381-K385 PolarHBondContact O-N 3.3Å; K385-K387 PolarHBondContact O-N 3.31Å; K385-V388 CarbonylContact O-C 3.56Å; K385-V388 PolarHBondContact O-N 3.06Å; K385-A389 WeakPolarHBondContact O-CB 3.03Å; K385-A389 PolarHBondContact O-N 2.79Å; K385-M397 HydrophobicContact CB-CE 4.04Å; K385-M397 HydrophobicContact CB-SD 4.11Å; K385-M397 HydrophobicContact CD-CE 4.41Å; K385-L400 WeakPolarHBondContact CE-O 3.4Å; K385-L400 PolarHBondContact NZ-O 3.29Å |
| 386 | A | 65.3 | Low | 63.5 | Low | 11 Ų | 11 | 37.7 Ų | 37.7 | 9% | 0.091 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.4 | -36.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L98 F260 R382 R383 A384 A389 L390 | L98-A386 HydrophobicContact CD1-CB 3.67Å; F260-A386 HydrophobicContact CE1-CB 4.16Å; R382-A386 WeakPolarHBondContact O-CB 3.4Å; R382-A386 PolarHBondContact O-N 2.88Å; R383-A386 PolarHBondContact O-N 3.39Å; A384-A386 PolarHBondContact O-N 3.1Å; A386-A389 PolarHBondContact O-N 3.5Å; A386-L390 WeakPolarHBondContact O-CG 3.28Å; A386-L390 PolarHBondContact O-N 3.01Å |
| 387 | K | 67.2 | Low | 61 | Low | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.035 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.4 | -40.4 | 173.1 | -80.2 | -176.8 | -179.2 | -157.2 | 0 | 111.4 | P22 T24 L61 L98 N99 R383 A384 K385 L390 M391 | P22-K387 PolarHBondContact O-NZ 3.49Å; T24-K387 PolarHBondContact O-NZ 3.28Å; L61-K387 HydrophobicContact CD1-CD 4.05Å; L61-K387 HydrophobicContact CD2-CD 4.26Å; L98-K387 HydrophobicContact CD1-CB 4.43Å; L98-K387 HydrophobicContact CD1-CG 3.64Å; L98-K387 HydrophobicContact CD2-CG 3.91Å; L98-K387 HydrophobicContact CG-CD 4.45Å; L98-K387 HydrophobicContact CG-CG 3.61Å; L98-K387 WeakPolarHBondContact O-CE 3.37Å; N99-K387 VanDerWaalsContact OD1-CE 3.25Å; N99-K387 WeakPolarHBondContact OD1-CE 3.44Å; N99-K387 PolarHBondContact OD1-NZ 2.89Å; R383-K387 WeakPolarHBondContact O-CB 3.48Å; R383-K387 VanDerWaalsContact O-CG 3.28Å; R383-K387 WeakPolarHBondContact O-CG 3.29Å; R383-K387 PolarHBondContact O-N 2.77Å; A384-K387 PolarHBondContact O-N 3.33Å; K385-K387 PolarHBondContact O-N 3.31Å; K387-L390 PolarHBondContact O-N 3.38Å; K387-M391 WeakPolarHBondContact O-CB 3.37Å; K387-M391 WeakPolarHBondContact O-CG 3.42Å; K387-M391 PolarHBondContact O-N 3.36Å |
| 388 | V | 62.3 | Low | 58.6 | Low | 42 Ų | 42 | 42.2 Ų | 42.2 | 26% | 0.255 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.3 | -47.5 | 174.2 | 175 | 0 | 0 | 0 | 0 | 110.1 | A384 K385 L390 M391 L392 L400 | A384-V388 WeakPolarHBondContact O-CB 3.38Å; A384-V388 VanDerWaalsContact O-CG2 3.28Å; A384-V388 WeakPolarHBondContact O-CG2 3.45Å; A384-V388 PolarHBondContact O-N 2.89Å; K385-V388 CarbonylContact O-C 3.56Å; K385-V388 PolarHBondContact O-N 3.06Å; V388-L390 VanDerWaalsContact C-N 3.27Å; V388-L390 PolarHBondContact O-N 2.89Å; V388-M391 PolarHBondContact O-N 3.14Å; V388-L392 HydrophobicContact CG1-CB 4.45Å; V388-L392 HydrophobicContact CG1-CD1 3.52Å; V388-L392 HydrophobicContact CG1-CG 3.97Å; V388-L392 WeakPolarHBondContact O-CA 3.31Å; V388-L392 WeakPolarHBondContact O-CB 3.42Å; V388-L392 PolarHBondContact O-N 2.76Å; V388-L400 HydrophobicContact CB-CD1 4.29Å; V388-L400 HydrophobicContact CG1-CD1 3.69Å |
| 389 | A | 54.1 | Low | 56.4 | Low | 23 Ų | 23 | 41.4 Ų | 41.4 | 19% | 0.19 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.3 | -36.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K385 A386 L392 S393 M397 | K385-A389 WeakPolarHBondContact O-CB 3.03Å; K385-A389 PolarHBondContact O-N 2.79Å; A386-A389 PolarHBondContact O-N 3.5Å; A389-L392 CarbonylContact O-C 3.42Å; A389-L392 VanDerWaalsContact O-C 3.31Å; A389-S393 VanDerWaalsContact O-CA 3.29Å; A389-S393 WeakPolarHBondContact O-CA 3.48Å; A389-S393 PolarHBondContact O-N 2.79Å; A389-M397 HydrophobicContact CB-CG 3.88Å; A389-M397 HydrophobicContact CB-SD 3.75Å |
| 390 | L | 58.6 | Low | 54 | Low | 82 Ų | 82 | 43.8 Ų | 43.8 | 43% | 0.429 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -79.1 | -36.7 | 178 | -70.2 | 169.4 | 0 | 0 | 0 | 112.7 | L98 A386 K387 V388 S393 | L98-L390 HydrophobicContact CD1-CD1 3.69Å; L98-L390 HydrophobicContact CD2-CD1 3.54Å; L98-L390 HydrophobicContact CG-CD1 4.22Å; A386-L390 WeakPolarHBondContact O-CG 3.28Å; A386-L390 PolarHBondContact O-N 3.01Å; K387-L390 PolarHBondContact O-N 3.38Å; V388-L390 VanDerWaalsContact C-N 3.27Å; V388-L390 PolarHBondContact O-N 2.89Å; L390-S393 PolarHBondContact O-OG 3.21Å |
| 391 | M | 50.6 | Low | 51.4 | Low | 125 Ų | 125 | 51.6 Ų | 51.6 | 62% | 0.616 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -75.6 | -30.5 | 174.5 | -69.9 | -169.8 | -173.9 | 0 | 0 | 112.9 | K387 V388 | K387-M391 WeakPolarHBondContact O-CB 3.37Å; K387-M391 WeakPolarHBondContact O-CG 3.42Å; K387-M391 PolarHBondContact O-N 3.36Å; V388-M391 PolarHBondContact O-N 3.14Å |
| 392 | L | 42.3 | Very low | 48.9 | Very low | 65 Ų | 65 | 55 Ų | 55 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 51.6 | 175.7 | -54.4 | -172.5 | 0 | 0 | 0 | 109.1 | V388 A389 N394 L395 E572 | V388-L392 HydrophobicContact CG1-CB 4.45Å; V388-L392 HydrophobicContact CG1-CD1 3.52Å; V388-L392 HydrophobicContact CG1-CG 3.97Å; V388-L392 WeakPolarHBondContact O-CA 3.31Å; V388-L392 WeakPolarHBondContact O-CB 3.42Å; V388-L392 PolarHBondContact O-N 2.76Å; A389-L392 CarbonylContact O-C 3.42Å; A389-L392 VanDerWaalsContact O-C 3.31Å; L392-N394 PolarHBondContact O-N 2.94Å; L392-L395 HydrophobicContact CB-CB 4.05Å; L392-L395 HydrophobicContact CB-CD1 3.81Å; L392-L395 HydrophobicContact CD1-CD1 4.19Å; L392-L395 HydrophobicContact CD2-CD1 4.07Å; L392-L395 HydrophobicContact CG-CD1 4.24Å; L392-L395 WeakPolarHBondContact O-CB 3.46Å; L392-L395 PolarHBondContact O-N 3.06Å; L392-E572 VanDerWaalsContact CD1-OE1 3.26Å; L392-E572 WeakPolarHBondContact CD1-OE1 3.25Å |
| 393 | S | 37 | Very low | 46.6 | Very low | 83 Ų | 83 | 58.8 Ų | 58.8 | 58% | 0.58 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 21 | -177.8 | 26.7 | 0 | 0 | 0 | 0 | 114.9 | A389 L390 | A389-S393 VanDerWaalsContact O-CA 3.29Å; A389-S393 WeakPolarHBondContact O-CA 3.48Å; A389-S393 PolarHBondContact O-N 2.79Å; L390-S393 PolarHBondContact O-OG 3.21Å |
| 394 | N | 37.3 | Very low | 44.1 | Very low | 57 Ų | 57 | 62.1 Ų | 62.1 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | 7.4 | -162.2 | -66.7 | -34.5 | 0 | 0 | 0 | 111.4 | L392 Y581 S582 | L392-N394 PolarHBondContact O-N 2.94Å; N394-Y581 VanDerWaalsContact CA-CD1 3.49Å; N394-Y581 HydrophobicContact CB-CD1 3.47Å; N394-Y581 VanDerWaalsContact CB-CD1 3.47Å; N394-Y581 HydrophobicContact CB-CE1 3.35Å; N394-Y581 HydrophobicContact CB-CG 4.48Å; N394-Y581 VanDerWaalsContact O-CD1 3.26Å; N394-Y581 WeakPolarHBondContact O-CD1 3.45Å; N394-Y581 WeakPolarHBondContact OD1-CE1 3.06Å; N394-Y581 PolarHBondContact OD1-OH 2.88Å; N394-S582 PolarHBondContact O-N 3.4Å |
| 395 | L | 34.8 | Very low | 42 | Very low | 36 Ų | 36 | 65.1 Ų | 65.1 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -157.8 | 138.2 | -153.7 | -87.4 | 157.6 | 0 | 0 | 0 | 108.3 | L392 I570 E572 | L392-L395 HydrophobicContact CB-CB 4.05Å; L392-L395 HydrophobicContact CB-CD1 3.81Å; L392-L395 HydrophobicContact CD1-CD1 4.19Å; L392-L395 HydrophobicContact CD2-CD1 4.07Å; L392-L395 HydrophobicContact CG-CD1 4.24Å; L392-L395 WeakPolarHBondContact O-CB 3.46Å; L392-L395 PolarHBondContact O-N 3.06Å; L395-I570 WeakPolarHBondContact CD2-O 3.41Å; L395-E572 VanDerWaalsContact C-OE2 3.22Å; L395-E572 HydrophobicContact CB-CB 4.04Å; L395-E572 HydrophobicContact CB-CG 4.24Å; L395-E572 WeakPolarHBondContact CB-OE2 3.34Å; L395-E572 HydrophobicContact CD2-CB 3.7Å; L395-E572 HydrophobicContact CD2-CG 3.91Å |
| 396 | P | 31 | Very low | 40 | Very low | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | trans | -93 | 105 | 177.4 | 1.8 | 6.9 | 0 | 0 | 0 | 121.6 | D398 E572 T573 T574 S578 F579 | P396-D398 PolarHBondContact O-N 3.18Å; P396-E572 WeakPolarHBondContact CA-OE2 2.88Å; P396-E572 HydrophobicContact CB-CB 4.34Å; P396-E572 VanDerWaalsContact CD-O 3.29Å; P396-E572 WeakPolarHBondContact CD-O 3.25Å; P396-E572 VanDerWaalsContact CG-C 3.43Å; P396-E572 HydrophobicContact CG-CB 4.22Å; P396-E572 VanDerWaalsContact CG-O 3.27Å; P396-E572 WeakPolarHBondContact CG-O 3.24Å; P396-E572 WeakPolarHBondContact O-CB 3.34Å; P396-T573 PolarHBondContact O-N 2.91Å; P396-T574 VanDerWaalsContact C-CG2 3.41Å; P396-T574 HydrophobicContact CB-CG2 3.57Å; P396-T574 WeakPolarHBondContact CB-OG1 3.34Å; P396-T574 WeakPolarHBondContact O-CG2 3.25Å; P396-S578 VanDerWaalsContact CB-OG 3.3Å; P396-S578 WeakPolarHBondContact CB-OG 3.4Å; P396-S578 VanDerWaalsContact CD-C 3.46Å; P396-S578 WeakPolarHBondContact CD-O 3.4Å; P396-S578 VanDerWaalsContact CG-C 3.47Å; P396-S578 WeakPolarHBondContact CG-OG 3.35Å; P396-F579 HydrophobicContact CG-CB 4.24Å; P396-F579 VanDerWaalsContact CG-N 3.32Å | ||
| 397 | M | 30.9 | Very low | 38.3 | Very low | 51 Ų | 51 | 73.5 Ų | 73.5 | 25% | 0.251 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | 17.7 | -32.1 | 145.6 | -87.9 | -69.3 | -66.6 | 0 | 0 | 128 | K385 A389 E572 T574 | K385-M397 HydrophobicContact CB-CE 4.04Å; K385-M397 HydrophobicContact CB-SD 4.11Å; K385-M397 HydrophobicContact CD-CE 4.41Å; A389-M397 HydrophobicContact CB-CG 3.88Å; A389-M397 HydrophobicContact CB-SD 3.75Å; M397-E572 PolarHBondContact N-OE2 2.87Å; M397-T574 HydrophobicContact CB-CG2 3.58Å |
| 398 | D | 34.8 | Very low | 36.5 | Very low | 55 Ų | 55 | 77.7 Ų | 77.7 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -92.6 | -20.9 | -164.1 | -80.4 | -47.1 | 0 | 0 | 0 | 114.2 | P396 L400 T550 T574 | P396-D398 PolarHBondContact O-N 3.18Å; D398-L400 PolarHBondContact O-N 3.36Å; D398-T550 HydrophobicContact CB-CG2 4.38Å; D398-T550 WeakPolarHBondContact OD2-CG2 3.14Å; D398-T574 HydrophobicContact CB-CG2 3.44Å; D398-T574 VanDerWaalsContact CB-CG2 3.44Å; D398-T574 WeakPolarHBondContact OD2-CB 3.26Å; D398-T574 WeakPolarHBondContact OD2-CG2 3.5Å |
| 399 | S | 34.5 | Very low | 34.8 | Very low | 59 Ų | 59 | 81.5 Ų | 81.5 | 41% | 0.413 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -69.8 | 12.3 | 176.5 | 62.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 400 | L | 29.7 | Very low | 33.5 | Very low | 50 Ų | 50 | 85.6 Ų | 85.6 | 26% | 0.262 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -114.9 | 36.1 | 179.2 | -77.9 | 166.6 | 0 | 0 | 0 | 113.1 | K385 V388 D398 L402 | K385-L400 WeakPolarHBondContact CE-O 3.4Å; K385-L400 PolarHBondContact NZ-O 3.29Å; V388-L400 HydrophobicContact CB-CD1 4.29Å; V388-L400 HydrophobicContact CG1-CD1 3.69Å; D398-L400 PolarHBondContact O-N 3.36Å; L400-L402 PolarHBondContact O-N 3.07Å |
| 401 | Q | 29.9 | Very low | 32 | Very low | 165 Ų | 165 | 87 Ų | 87 | 77% | 0.771 | 49% | 0.492 | S | S | * | . | trans | -75.8 | 114.8 | 156.8 | -64.1 | -161.7 | 18 | 0 | 0 | 109.6 | ||||
| 402 | L | 28.5 | Very low | 31 | Very low | 97 Ų | 97 | 89.1 Ų | 89.1 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | trans | -80 | 136.2 | 173.4 | -134.9 | 98.9 | 0 | 0 | 0 | 109.9 | K58 L400 S404 | K58-L402 HydrophobicContact CD-CD1 4.49Å; K58-L402 HydrophobicContact CD-CD2 3.94Å; K58-L402 HydrophobicContact CG-CD1 4.12Å; K58-L402 HydrophobicContact CG-CD2 4.03Å; L400-L402 PolarHBondContact O-N 3.07Å; L402-S404 PolarHBondContact O-N 2.88Å; L402-S404 VanDerWaalsContact O-N 3.09Å | ||
| 403 | K | 26.3 | Very low | 30.3 | Very low | 175 Ų | 175 | 95.1 Ų | 95.1 | 76% | 0.761 | 53% | 0.53 | S | S | * | . | trans | -53.8 | 113.3 | -174.1 | -62.8 | -177.3 | 177.5 | -173.2 | 0 | 112.5 | ||||
| 404 | S | 28.4 | Very low | 29.8 | Very low | 72 Ų | 72 | 98.5 Ų | 98.5 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | trans | -114.8 | 147.4 | 144.1 | 48.9 | 0 | 0 | 0 | 0 | 106.6 | L402 | L402-S404 PolarHBondContact O-N 2.88Å; L402-S404 VanDerWaalsContact O-N 3.09Å | ||
| 405 | E | 29.5 | Very low | 29.4 | Very low | 64 Ų | 64 | 102 Ų | 102 | 30% | 0.299 | 55% | 0.55 | S | S | . | . | trans | -119.2 | 141.9 | -154.4 | -81 | -178.4 | 156.2 | 0 | 0 | 111.8 | V428 T430 | E405-V428 PolarHBondContact N-O 3.01Å; E405-V428 VanDerWaalsContact N-O 3.12Å; E405-V428 CarbonylContact O-C 3.41Å; E405-V428 WeakPolarHBondContact O-CB 3.18Å; E405-V428 WeakPolarHBondContact O-CG1 3.48Å; E405-T430 WeakPolarHBondContact CB-OG1 3.44Å; E405-T430 PolarHBondContact OE2-OG1 3.02Å | ||
| 406 | E | 27.5 | Very low | 29 | Very low | 153 Ų | 153 | 107.5 Ų | 107.5 | 72% | 0.715 | 57% | 0.572 | S | S | * | * | trans | -75.2 | 141.7 | -160.3 | -55.5 | 147 | 114 | 0 | 0 | 115.5 | ||||
| 407 | T | 29.4 | Very low | 28.9 | Very low | 80 Ų | 80 | 118 Ų | 118 | 49% | 0.491 | 61% | 0.613 | S | S | . | * | trans | -142.2 | 150.9 | 144.2 | 54.6 | 0 | 0 | 0 | 0 | 111 | V428 | T407-V428 WeakPolarHBondContact OG1-CG2 3.09Š| ||
| 408 | A | 28.1 | Very low | 28.6 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 80% | 0.802 | 64% | 0.639 | S | S | * | * | trans | -88.7 | 164.8 | -156.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 409 | V | 27.4 | Very low | 28.2 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | trans | -127.2 | 137 | 177.6 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 410 | P | 26.9 | Very low | 27.9 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 71% | 0.714 | 67% | 0.668 | S | S | * | * | trans | -100 | 126.3 | 172.4 | 35.2 | -29.8 | 0 | 0 | 0 | 114.2 | ||||
| 411 | S | 26.7 | Very low | 27.6 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | trans | 16.2 | 120.5 | 151.5 | 60.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 412 | I | 29.3 | Very low | 27.4 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 86% | 0.862 | 67% | 0.671 | S | S | * | * | trans | -137.9 | 145.7 | 142.3 | -62.8 | -175.1 | 0 | 0 | 0 | 107.9 | ||||
| 413 | E | 27.6 | Very low | 27.2 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 90% | 0.897 | 68% | 0.684 | S | S | * | * | trans | -85.8 | 160.9 | -173 | -61.6 | 172.4 | 134.3 | 0 | 0 | 114.4 | ||||
| 414 | F | 28 | Very low | 27.2 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | trans | -91.8 | 157.4 | 178.3 | -80.9 | -108.2 | 0 | 0 | 0 | 112.9 | E421 | F414-E421 HydrophobicContact CE1-CG 4.4Å; F414-E421 WeakPolarHBondContact CE1-OE1 3.25Å | ||
| 415 | E | 28.3 | Very low | 27.1 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 61% | 0.612 | 71% | 0.705 | S | S | * | * | -169.7 | 140.6 | 120 | -107.1 | -163.1 | 158.3 | 0 | 0 | 113.6 | |||||
| 416 | K | 27.2 | Very low | 26.9 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 66% | 0.657 | 72% | 0.72 | S | S | * | * | trans | 58.8 | 87 | 151.2 | -63.9 | 161.8 | -174.5 | 148.4 | 0 | 118.4 | ||||
| 417 | Y | 28.6 | Very low | 26.8 | Very low | 222 Ų | 222 | 131.1 Ų | 131.1 | 87% | 0.871 | 72% | 0.718 | S | S | * | * | -156 | 162.3 | 96.8 | -102.7 | -74.6 | 0 | 0 | 0 | 109.8 | |||||
| 418 | E | 23.8 | Very low | 26.6 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | trans | -72.7 | 169.5 | -160.9 | -62.7 | 136.5 | 142.9 | 0 | 0 | 115.5 | ||||
| 419 | V | 27.1 | Very low | 26.5 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 79% | 0.794 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 101.1 | 113.3 | 170.8 | -174.1 | 0 | 0 | 0 | 0 | 117.2 | ||
| 420 | M | 27.6 | Very low | 26.4 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 52% | 0.522 | 68% | 0.676 | S | S | . | * | trans | 60.9 | 71.3 | 159.9 | -65.8 | 170.9 | 77.5 | 0 | 0 | 118.9 | K338 N422 | K338-M420 HydrophobicContact CD-CE 4.39Å; K338-M420 HydrophobicContact CG-CE 4.16Å; M420-N422 PolarHBondContact O-N 2.97Å | ||
| 421 | E | 22.6 | Very low | 26.3 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 62% | 0.617 | 66% | 0.663 | S | S | * | * | trans | -77.6 | 96.2 | 163.2 | -69.8 | -179.5 | 179.5 | 0 | 0 | 112.2 | F414 | F414-E421 HydrophobicContact CE1-CG 4.4Å; F414-E421 WeakPolarHBondContact CE1-OE1 3.25Å | ||
| 422 | N | 25.6 | Very low | 26.2 | Very low | 90 Ų | 90 | 125.1 Ų | 125.1 | 48% | 0.481 | 65% | 0.652 | S | S | . | * | trans | -112.8 | 109.3 | 147.3 | -96.3 | 65.5 | 0 | 0 | 0 | 107.8 | K338 M420 L424 | K338-N422 HydrophobicContact CD-CB 4.01Å; K338-N422 PolarHBondContact NZ-OD1 2.89Å; M420-N422 PolarHBondContact O-N 2.97Å; N422-L424 PolarHBondContact O-N 2.93Å | ||
| 423 | T | 25.8 | Very low | 26.2 | Very low | 127 Ų | 127 | 120.2 Ų | 120.2 | 78% | 0.779 | 63% | 0.626 | S | S | * | * | trans | -61.8 | 126.9 | 176.6 | 45.5 | 0 | 0 | 0 | 0 | 111.3 | S425 | T423-S425 PolarHBondContact O-N 2.92Š| ||
| 424 | L | 26.6 | Very low | 26.4 | Very low | 174 Ų | 174 | 118 Ų | 118 | 91% | 0.911 | 62% | 0.618 | S | S | * | * | trans | -74.2 | 116 | -177.5 | -65.5 | 107.2 | 0 | 0 | 0 | 111.9 | N422 A426 | N422-L424 PolarHBondContact O-N 2.93Å; L424-A426 PolarHBondContact O-N 3.12Å | ||
| 425 | S | 26.1 | Very low | 26.7 | Very low | 115 Ų | 115 | 114.7 Ų | 114.7 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | trans | -74.6 | 109.1 | 161.3 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | T423 S427 | T423-S425 PolarHBondContact O-N 2.92Å; S425-S427 PolarHBondContact O-N 2.84Å; S425-S427 VanDerWaalsContact O-N 3.15Å | ||
| 426 | A | 25.5 | Very low | 27.3 | Very low | 74 Ų | 74 | 111.8 Ų | 111.8 | 61% | 0.612 | 59% | 0.594 | S | S | * | * | trans | -68.4 | 109.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L424 V428 | L424-A426 PolarHBondContact O-N 3.12Å; A426-V428 VanDerWaalsContact C-N 3.29Å; A426-V428 PolarHBondContact O-N 2.92Å | ||
| 427 | S | 25.6 | Very low | 27.9 | Very low | 97 Ų | 97 | 111.8 Ų | 111.8 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | trans | -73.3 | 80.3 | -179.4 | 57 | 0 | 0 | 0 | 0 | 111.4 | S425 I429 | S425-S427 PolarHBondContact O-N 2.84Å; S425-S427 VanDerWaalsContact O-N 3.15Å; S427-I429 PolarHBondContact O-N 2.85Å | ||
| 428 | V | 24.1 | Very low | 28.4 | Very low | 39 Ų | 39 | 105.3 Ų | 105.3 | 24% | 0.236 | 57% | 0.567 | C | S | . | * | trans | -64.4 | 129.5 | 166.4 | 175.4 | 0 | 0 | 0 | 0 | 108 | E405 T407 A426 T430 | E405-V428 PolarHBondContact N-O 3.01Å; E405-V428 VanDerWaalsContact N-O 3.12Å; E405-V428 CarbonylContact O-C 3.41Å; E405-V428 WeakPolarHBondContact O-CB 3.18Å; E405-V428 WeakPolarHBondContact O-CG1 3.48Å; T407-V428 WeakPolarHBondContact OG1-CG2 3.09Å; A426-V428 VanDerWaalsContact C-N 3.29Å; A426-V428 PolarHBondContact O-N 2.92Å; V428-T430 HydrophobicContact CG1-CG2 4.29Å | ||
| 429 | I | 26.5 | Very low | 29.1 | Very low | 134 Ų | 134 | 99.2 Ų | 99.2 | 69% | 0.687 | 54% | 0.542 | S | S | * | . | trans | -110 | 85.9 | 168.8 | -56.6 | 176.1 | 0 | 0 | 0 | 105.7 | S427 | S427-I429 PolarHBondContact O-N 2.85Š| ||
| 430 | T | 24.7 | Very low | 30 | Very low | 36 Ų | 36 | 96.8 Ų | 96.8 | 22% | 0.221 | 52% | 0.521 | C | S | . | . | trans | -63.6 | 138 | 155.7 | 40.2 | 0 | 0 | 0 | 0 | 107.9 | E405 V428 | E405-T430 WeakPolarHBondContact CB-OG1 3.44Å; E405-T430 PolarHBondContact OE2-OG1 3.02Å; V428-T430 HydrophobicContact CG1-CG2 4.29Å | ||
| 431 | F | 25.1 | Very low | 30.8 | Very low | 101 Ų | 101 | 95.6 Ų | 95.6 | 44% | 0.443 | 52% | 0.517 | S | S | . | . | trans | -59.1 | 154.5 | 164.2 | -69.8 | -98.7 | 0 | 0 | 0 | 108.5 | Q433 | F431-Q433 PolarHBondContact O-N 2.99Š| ||
| 432 | P | 25.4 | Very low | 31.8 | Very low | 85 Ų | 85 | 91.9 Ų | 91.9 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | trans | -63.3 | 85.8 | 164.1 | 29.4 | -34.6 | 0 | 0 | 0 | 108.1 | ||||
| 433 | Q | 28 | Very low | 32.8 | Very low | 65 Ų | 65 | 92.3 Ų | 92.3 | 30% | 0.304 | 50% | 0.5 | S | S | . | . | trans | -54 | 149.1 | 165.1 | -68.3 | 178.3 | 3.5 | 0 | 0 | 106.7 | F431 Q435 N1018 | F431-Q433 PolarHBondContact O-N 2.99Å; Q433-Q435 PolarHBondContact O-N 2.65Å; Q433-N1018 VanDerWaalsContact NE2-CG 3.3Å; Q433-N1018 PolarHBondContact NE2-ND2 3.25Å; Q433-N1018 VanDerWaalsContact OE1-CB 3.31Å | ||
| 434 | I | 33.3 | Very low | 33.8 | Very low | 144 Ų | 144 | 89.5 Ų | 89.5 | 74% | 0.738 | 48% | 0.478 | S | S | * | . | trans | -73.1 | 71.7 | 167.8 | -53.5 | 176.2 | 0 | 0 | 0 | 105.9 | N436 | I434-N436 PolarHBondContact O-N 3.32Š| ||
| 435 | Q | 33.8 | Very low | 34.8 | Very low | 85 Ų | 85 | 88.2 Ų | 88.2 | 40% | 0.397 | 47% | 0.466 | S | S | . | . | trans | -53.6 | 110.4 | 171.9 | -75.1 | -169.8 | 11.2 | 0 | 0 | 105.2 | Q433 R437 | Q433-Q435 PolarHBondContact O-N 2.65Å; Q435-R437 PolarHBondContact O-N 3.18Å; Q435-R437 VanDerWaalsContact O-N 3.11Å | ||
| 436 | N | 40.6 | Very low | 35.8 | Very low | 71 Ų | 71 | 87.2 Ų | 87.2 | 38% | 0.38 | 45% | 0.448 | S | S | . | . | trans | -49.6 | 124 | -179.7 | -157.1 | -13.6 | 0 | 0 | 0 | 106.3 | I434 H438 T439 | I434-N436 PolarHBondContact O-N 3.32Å; N436-H438 CarbonylContact O-C 3.3Å; N436-H438 PolarHBondContact O-N 2.89Å; N436-H438 PolarHBondContact OD1-CD2 2.86Å; N436-T439 PolarHBondContact O-N 2.79Å; N436-T439 PolarHBondContact O-OG1 3.46Å; N436-T439 VanDerWaalsContact O-OG1 3.11Å | ||
| 437 | R | 39.5 | Very low | 36.9 | Very low | 150 Ų | 150 | 91.9 Ų | 91.9 | 57% | 0.566 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -54.3 | -27.3 | -159.2 | -170.1 | 175.3 | 178.7 | 174.8 | -1.2 | 112.9 | Q435 L441 C920 | Q435-R437 PolarHBondContact O-N 3.18Å; Q435-R437 VanDerWaalsContact O-N 3.11Å; R437-L441 HydrophobicContact CG-CD1 4.28Å; R437-L441 WeakPolarHBondContact O-CD1 3.41Å; R437-L441 VanDerWaalsContact O-CG 3.31Å; R437-L441 WeakPolarHBondContact O-CG 3.26Å; R437-L441 PolarHBondContact O-N 3.46Å; R437-C920 VanDerWaalsContact NH1-CB 3.35Å |
| 438 | H | 39.3 | Very low | 38.1 | Very low | 86 Ų | 86 | 93.9 Ų | 93.9 | 40% | 0.398 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 170.7 | -47.7 | -59 | 0 | 0 | 0 | 114.5 | N436 L441 S442 Y964 | N436-H438 CarbonylContact O-C 3.3Å; N436-H438 PolarHBondContact O-N 2.89Å; N436-H438 PolarHBondContact OD1-CD2 2.86Å; H438-L441 PolarHBondContact O-N 2.89Å; H438-S442 PolarHBondContact O-N 2.99Å; H438-S442 PolarHBondContact O-OG 3.4Å; H438-Y964 VanDerWaalsContact CB-OH 3.28Å; H438-Y964 WeakPolarHBondContact CB-OH 3.24Å |
| 439 | T | 39.3 | Very low | 39.5 | Very low | 41 Ų | 41 | 95.8 Ų | 95.8 | 25% | 0.252 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.2 | -45.7 | -177.7 | -26.1 | 0 | 0 | 0 | 0 | 111.9 | N436 L441 S442 R443 | N436-T439 PolarHBondContact O-N 2.79Å; N436-T439 PolarHBondContact O-OG1 3.46Å; N436-T439 VanDerWaalsContact O-OG1 3.11Å; T439-L441 PolarHBondContact O-N 3.18Å; T439-S442 PolarHBondContact O-N 2.93Å; T439-S442 PolarHBondContact O-OG 3.4Å; T439-R443 PolarHBondContact O-N 2.9Å |
| 440 | H | 44.3 | Very low | 40.7 | Very low | 80 Ų | 80 | 94 Ų | 94 | 37% | 0.37 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 175.5 | -175.6 | -59.5 | 0 | 0 | 0 | 111.4 | S442 R443 E444 | H440-S442 VanDerWaalsContact C-N 3.33Å; H440-S442 PolarHBondContact O-N 2.92Å; H440-R443 PolarHBondContact O-N 2.75Å; H440-E444 WeakPolarHBondContact O-CB 3.26Å; H440-E444 PolarHBondContact O-N 2.68Å |
| 441 | L | 44.8 | Very low | 42.1 | Very low | 82 Ų | 82 | 93.2 Ų | 93.2 | 43% | 0.429 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 179.5 | -74.1 | 170.2 | 0 | 0 | 0 | 112.6 | R437 H438 T439 F445 | R437-L441 HydrophobicContact CG-CD1 4.28Å; R437-L441 WeakPolarHBondContact O-CD1 3.41Å; R437-L441 VanDerWaalsContact O-CG 3.31Å; R437-L441 WeakPolarHBondContact O-CG 3.26Å; R437-L441 PolarHBondContact O-N 3.46Å; H438-L441 PolarHBondContact O-N 2.89Å; T439-L441 PolarHBondContact O-N 3.18Å; L441-F445 PolarHBondContact O-N 2.97Å; L441-F445 VanDerWaalsContact O-N 3.15Å |
| 442 | S | 43.7 | Very low | 43.9 | Very low | 53 Ų | 53 | 94.1 Ų | 94.1 | 37% | 0.371 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | 176.1 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | H438 T439 H440 Q446 | H438-S442 PolarHBondContact O-N 2.99Å; H438-S442 PolarHBondContact O-OG 3.4Å; T439-S442 PolarHBondContact O-N 2.93Å; T439-S442 PolarHBondContact O-OG 3.4Å; H440-S442 VanDerWaalsContact C-N 3.33Å; H440-S442 PolarHBondContact O-N 2.92Å; S442-Q446 PolarHBondContact O-N 3.38Å |
| 443 | R | 45.9 | Very low | 45.5 | Very low | 100 Ų | 100 | 93.5 Ų | 93.5 | 38% | 0.377 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -72.8 | -37.5 | 174.7 | -67.9 | -61.5 | -163.9 | -173.8 | 4.6 | 113 | T439 H440 Q446 R447 | T439-R443 PolarHBondContact O-N 2.9Å; H440-R443 PolarHBondContact O-N 2.75Å; R443-Q446 WeakPolarHBondContact O-CB 3.49Å; R443-Q446 PolarHBondContact O-N 3.1Å; R443-R447 PolarHBondContact O-N 2.87Å; R443-R447 VanDerWaalsContact O-N 3.15Å |
| 444 | E | 48.2 | Very low | 47 | Very low | 68 Ų | 68 | 94.5 Ų | 94.5 | 32% | 0.318 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -54.8 | -49.7 | 170.8 | -104.4 | -75.9 | 137.8 | 0 | 0 | 111.8 | H440 Q446 R447 R448 | H440-E444 WeakPolarHBondContact O-CB 3.26Å; H440-E444 PolarHBondContact O-N 2.68Å; E444-Q446 VanDerWaalsContact C-N 3.29Å; E444-Q446 PolarHBondContact O-N 3.1Å; E444-R447 PolarHBondContact O-N 2.96Å; E444-R448 PolarHBondContact O-N 2.87Å; E444-R448 IonicContact OE2-CZ 3.33Å; E444-R448 VanDerWaalsContact OE2-CZ 3.25Å; E444-R448 IonicContact OE2-NE 3.08Å; E444-R448 PolarHBondContact OE2-NE 3.49Å; E444-R448 IonicContact OE2-NH2 2.69Å; E444-R448 PolarHBondContact OE2-NH2 3.14Å |
| 445 | F | 48.1 | Very low | 48.5 | Very low | 147 Ų | 147 | 88 Ų | 88 | 65% | 0.645 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -62.6 | -36.9 | 179.4 | -171.2 | -106.7 | 0 | 0 | 0 | 112.2 | L441 R448 I449 | L441-F445 PolarHBondContact O-N 2.97Å; L441-F445 VanDerWaalsContact O-N 3.15Å; F445-R448 PolarHBondContact O-N 3.15Å; F445-I449 HydrophobicContact CD1-CD1 4.06Å; F445-I449 HydrophobicContact CE1-CD1 3.77Å; F445-I449 HydrophobicContact CZ-CD1 4.38Å; F445-I449 PolarHBondContact O-N 3.03Å |
| 446 | Q | 46.6 | Very low | 50 | Low | 94 Ų | 94 | 90.6 Ų | 90.6 | 44% | 0.439 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 176.6 | -168.4 | 177.6 | 5.5 | 0 | 0 | 112.5 | S442 R443 E444 R448 I449 N450 | S442-Q446 PolarHBondContact O-N 3.38Å; R443-Q446 WeakPolarHBondContact O-CB 3.49Å; R443-Q446 PolarHBondContact O-N 3.1Å; E444-Q446 VanDerWaalsContact C-N 3.29Å; E444-Q446 PolarHBondContact O-N 3.1Å; Q446-R448 PolarHBondContact O-N 2.91Å; Q446-I449 PolarHBondContact O-N 3.4Å; Q446-N450 PolarHBondContact O-OD1 3.19Å |
| 447 | R | 47.8 | Very low | 50.9 | Low | 171 Ų | 171 | 88.5 Ų | 88.5 | 65% | 0.645 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 177.8 | -74.3 | -175.7 | 172.6 | -179 | -3.3 | 112.5 | R443 E444 I449 N450 L451 | R443-R447 PolarHBondContact O-N 2.87Å; R443-R447 VanDerWaalsContact O-N 3.15Å; E444-R447 PolarHBondContact O-N 2.96Å; R447-I449 VanDerWaalsContact C-N 3.3Å; R447-I449 PolarHBondContact O-N 2.9Å; R447-N450 PolarHBondContact O-N 3.36Å; R447-L451 PolarHBondContact O-N 3.05Å |
| 448 | R | 51.7 | Low | 52.2 | Low | 139 Ų | 139 | 82 Ų | 82 | 53% | 0.525 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.7 | -26.6 | -177.9 | -65.3 | 173.8 | -170.2 | -119.8 | 1.7 | 113.7 | E444 F445 Q446 | E444-R448 PolarHBondContact O-N 2.87Å; E444-R448 IonicContact OE2-CZ 3.33Å; E444-R448 VanDerWaalsContact OE2-CZ 3.25Å; E444-R448 IonicContact OE2-NE 3.08Å; E444-R448 PolarHBondContact OE2-NE 3.49Å; E444-R448 IonicContact OE2-NH2 2.69Å; E444-R448 PolarHBondContact OE2-NH2 3.14Å; F445-R448 PolarHBondContact O-N 3.15Å; Q446-R448 PolarHBondContact O-N 2.91Å |
| 449 | I | 52 | Low | 53.7 | Low | 79 Ų | 79 | 80.8 Ų | 80.8 | 41% | 0.405 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.3 | -53.1 | 175.9 | -69 | 169.1 | 0 | 0 | 0 | 109.7 | F445 Q446 R447 L451 W452 D453 | F445-I449 HydrophobicContact CD1-CD1 4.06Å; F445-I449 HydrophobicContact CE1-CD1 3.77Å; F445-I449 HydrophobicContact CZ-CD1 4.38Å; F445-I449 PolarHBondContact O-N 3.03Å; Q446-I449 PolarHBondContact O-N 3.4Å; R447-I449 VanDerWaalsContact C-N 3.3Å; R447-I449 PolarHBondContact O-N 2.9Å; I449-L451 PolarHBondContact O-N 3.09Å; I449-L451 VanDerWaalsContact O-N 3.13Å; I449-W452 PolarHBondContact O-N 3.14Å; I449-D453 PolarHBondContact O-N 2.92Å |
| 450 | N | 51.7 | Low | 54.9 | Low | 96 Ų | 96 | 82.2 Ų | 82.2 | 51% | 0.513 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -54.9 | -35.4 | -178.5 | -63.7 | 17 | 0 | 0 | 0 | 113.3 | Q446 R447 D453 N454 | Q446-N450 PolarHBondContact O-OD1 3.19Å; R447-N450 PolarHBondContact O-N 3.36Å; N450-D453 PolarHBondContact O-N 2.95Å; N450-N454 PolarHBondContact O-N 2.85Å |
| 451 | L | 56 | Low | 56 | Low | 20 Ų | 20 | 81.6 Ų | 81.6 | 11% | 0.105 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 176.7 | -172.5 | 98.2 | 0 | 0 | 0 | 112.1 | R447 I449 D453 N454 V455 D555 E558 | R447-L451 PolarHBondContact O-N 3.05Å; I449-L451 PolarHBondContact O-N 3.09Å; I449-L451 VanDerWaalsContact O-N 3.13Å; L451-D453 VanDerWaalsContact C-N 3.35Å; L451-N454 PolarHBondContact O-N 2.8Å; L451-V455 PolarHBondContact O-N 3.18Å; L451-D555 WeakPolarHBondContact CD1-OD1 3.03Å; L451-E558 HydrophobicContact CD2-CB 4.37Å; L451-E558 HydrophobicContact CD2-CG 4.03Å |
| 452 | W | 62.5 | Low | 57.5 | Low | 121 Ų | 121 | 78 Ų | 78 | 46% | 0.458 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.8 | -32.6 | 179.7 | -77.2 | 98.9 | 0 | 0 | 0 | 112.1 | I449 N454 V455 W456 | I449-W452 PolarHBondContact O-N 3.14Å; W452-N454 PolarHBondContact O-N 2.79Å; W452-V455 HydrophobicContact CE3-CB 4.34Å; W452-V455 HydrophobicContact CE3-CG1 4.07Å; W452-V455 HydrophobicContact CZ3-CG1 4.2Å; W452-V455 WeakPolarHBondContact O-CB 3.45Å; W452-V455 PolarHBondContact O-N 2.78Å; W452-W456 PolarHBondContact O-N 3.03Å |
| 453 | D | 59 | Low | 58.8 | Low | 71 Ų | 71 | 77.6 Ų | 77.6 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 174.1 | -60.8 | -31.4 | 0 | 0 | 0 | 110.7 | I449 N450 L451 V455 W456 N457 | I449-D453 PolarHBondContact O-N 2.92Å; N450-D453 PolarHBondContact O-N 2.95Å; L451-D453 VanDerWaalsContact C-N 3.35Å; D453-V455 VanDerWaalsContact C-N 3.33Å; D453-V455 PolarHBondContact O-N 3.05Å; D453-W456 PolarHBondContact O-N 3.29Å; D453-N457 WeakPolarHBondContact O-CB 3.4Å; D453-N457 PolarHBondContact O-N 2.81Å; D453-N457 PolarHBondContact O-ND2 3.17Å; D453-N457 VanDerWaalsContact O-ND2 3.08Å; D453-N457 PolarHBondContact O-OD1 2.85Å |
| 454 | N | 58 | Low | 60 | Low | 87 Ų | 87 | 76.3 Ų | 76.3 | 47% | 0.465 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.2 | -40.4 | 173.1 | -74.6 | -6.1 | 0 | 0 | 0 | 113.1 | N450 L451 W452 N457 S458 | N450-N454 PolarHBondContact O-N 2.85Å; L451-N454 PolarHBondContact O-N 2.8Å; W452-N454 PolarHBondContact O-N 2.79Å; N454-N457 PolarHBondContact O-N 3.04Å; N454-S458 PolarHBondContact O-N 2.84Å |
| 455 | V | 65.8 | Low | 61.4 | Low | 8 Ų | 8 | 73.1 Ų | 73.1 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 176.4 | 161.7 | 0 | 0 | 0 | 0 | 111.8 | L451 W452 D453 L459 Q559 | L451-V455 PolarHBondContact O-N 3.18Å; W452-V455 HydrophobicContact CE3-CB 4.34Å; W452-V455 HydrophobicContact CE3-CG1 4.07Å; W452-V455 HydrophobicContact CZ3-CG1 4.2Å; W452-V455 WeakPolarHBondContact O-CB 3.45Å; W452-V455 PolarHBondContact O-N 2.78Å; D453-V455 VanDerWaalsContact C-N 3.33Å; D453-V455 PolarHBondContact O-N 3.05Å; V455-L459 HydrophobicContact CG1-CD1 4.28Å; V455-L459 WeakPolarHBondContact O-CG 3.23Å; V455-L459 PolarHBondContact O-N 3.08Å; V455-Q559 HydrophobicContact CG2-CG 4.17Å |
| 456 | W | 64.6 | Low | 63 | Low | 139 Ų | 139 | 67.3 Ų | 67.3 | 53% | 0.527 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 178.9 | -68.2 | 118 | 0 | 0 | 0 | 112.1 | W452 D453 S458 L459 N460 | W452-W456 PolarHBondContact O-N 3.03Å; D453-W456 PolarHBondContact O-N 3.29Å; W456-S458 VanDerWaalsContact C-N 3.33Å; W456-S458 PolarHBondContact O-N 2.66Å; W456-L459 HydrophobicContact CE3-CD1 4.19Å; W456-L459 HydrophobicContact CZ3-CD1 4.24Å; W456-L459 PolarHBondContact O-N 3.27Å; W456-N460 WeakPolarHBondContact O-CB 3.41Å; W456-N460 PolarHBondContact O-N 3.37Å |
| 457 | N | 60.6 | Low | 64.4 | Low | 27 Ų | 27 | 64.9 Ų | 64.9 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.4 | -47.7 | 175 | -70.9 | -24.9 | 0 | 0 | 0 | 112.1 | D453 N454 Y461 P845 C847 | D453-N457 WeakPolarHBondContact O-CB 3.4Å; D453-N457 PolarHBondContact O-N 2.81Å; D453-N457 PolarHBondContact O-ND2 3.17Å; D453-N457 VanDerWaalsContact O-ND2 3.08Å; D453-N457 PolarHBondContact O-OD1 2.85Å; N454-N457 PolarHBondContact O-N 3.04Å; N457-Y461 PolarHBondContact O-N 2.81Å; N457-P845 HydrophobicContact CB-CB 3.64Å; N457-P845 HydrophobicContact CB-CG 4.24Å; N457-P845 VanDerWaalsContact CG-CB 3.42Å; N457-P845 WeakPolarHBondContact ND2-CG 3.34Å; N457-C847 WeakPolarHBondContact OD1-CB 3.37Å; N457-C847 PolarHBondContact OD1-SG 3.44Å |
| 458 | S | 66.6 | Low | 65.8 | Low | 12 Ų | 12 | 56.9 Ų | 56.9 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.6 | -37 | -179.4 | -162.8 | 0 | 0 | 0 | 0 | 112.6 | N454 W456 Y461 V462 I542 | N454-S458 PolarHBondContact O-N 2.84Å; W456-S458 VanDerWaalsContact C-N 3.33Å; W456-S458 PolarHBondContact O-N 2.66Å; S458-Y461 PolarHBondContact O-N 2.77Å; S458-V462 WeakPolarHBondContact O-CG2 3.37Å; S458-V462 PolarHBondContact O-N 2.89Å; S458-I542 PolarHBondContact OG-N 3.12Å; S458-I542 PolarHBondContact OG-O 3.38Å |
| 459 | L | 70.6 | Confident | 67.2 | Low | 61 Ų | 61 | 50.2 Ų | 50.2 | 32% | 0.319 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 175.5 | -72.5 | 171.5 | 0 | 0 | 0 | 112.8 | V455 W456 Y461 V462 G463 I540 | V455-L459 HydrophobicContact CG1-CD1 4.28Å; V455-L459 WeakPolarHBondContact O-CG 3.23Å; V455-L459 PolarHBondContact O-N 3.08Å; W456-L459 HydrophobicContact CE3-CD1 4.19Å; W456-L459 HydrophobicContact CZ3-CD1 4.24Å; W456-L459 PolarHBondContact O-N 3.27Å; L459-Y461 VanDerWaalsContact C-N 3.26Å; L459-Y461 PolarHBondContact O-N 3.13Å; L459-V462 PolarHBondContact O-N 2.97Å; L459-G463 PolarHBondContact O-N 3.48Å; L459-I540 HydrophobicContact CD2-CG2 4.19Å |
| 460 | N | 63.8 | Low | 68.6 | Low | 72 Ų | 72 | 47 Ų | 47 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.4 | -37.3 | 173.7 | -73.3 | -10.3 | 0 | 0 | 0 | 111.3 | W456 G463 W464 I846 | W456-N460 WeakPolarHBondContact O-CB 3.41Å; W456-N460 PolarHBondContact O-N 3.37Å; N460-G463 PolarHBondContact O-N 3.04Å; N460-W464 PolarHBondContact O-N 2.88Å; N460-W464 VanDerWaalsContact O-N 3.14Å; N460-I846 PolarHBondContact ND2-O 3.38Å |
| 461 | Y | 68.2 | Low | 70 | Confident | 66 Ų | 66 | 43.2 Ų | 43.2 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 175.8 | -166.5 | -119.8 | 0 | 0 | 0 | 112.9 | N457 S458 L459 G463 W464 L465 I542 T544 | N457-Y461 PolarHBondContact O-N 2.81Å; S458-Y461 PolarHBondContact O-N 2.77Å; L459-Y461 VanDerWaalsContact C-N 3.26Å; L459-Y461 PolarHBondContact O-N 3.13Å; Y461-G463 VanDerWaalsContact C-N 3.32Å; Y461-G463 PolarHBondContact O-N 3.24Å; Y461-W464 AromaticContact CD2-CE3 3.81Å; Y461-W464 HydrophobicContact CD2-CE3 3.81Å; Y461-W464 HydrophobicContact CD2-CZ3 4.32Å; Y461-W464 HydrophobicContact CE2-CD2 4.38Å; Y461-W464 AromaticContact CE2-CE3 3.39Å; Y461-W464 HydrophobicContact CE2-CE3 3.39Å; Y461-W464 HydrophobicContact CE2-CH2 4.46Å; Y461-W464 AromaticContact CE2-CZ3 3.44Å; Y461-W464 HydrophobicContact CE2-CZ3 3.44Å; Y461-W464 VanDerWaalsContact CE2-CZ3 3.44Å; Y461-W464 AromaticContact CZ-CZ3 3.87Å; Y461-W464 WeakPolarHBondContact O-CB 3.16Å; Y461-W464 PolarHBondContact O-N 2.92Å; Y461-W464 VanDerWaalsContact O-N 3.14Å; Y461-L465 HydrophobicContact CD1-CD1 4.02Å; Y461-L465 HydrophobicContact CD1-CG 4.48Å; Y461-L465 HydrophobicContact CE1-CD1 3.87Å; Y461-L465 HydrophobicContact CE1-CG 4.31Å; Y461-L465 WeakPolarHBondContact O-CG 3.31Å; Y461-L465 PolarHBondContact O-N 3.49Å; Y461-I542 HydrophobicContact CD1-CB 4.11Å; Y461-I542 HydrophobicContact CD1-CG2 3.72Å; Y461-I542 HydrophobicContact CE1-CG2 3.72Å; Y461-T544 HydrophobicContact CD1-CG2 3.75Å; Y461-T544 HydrophobicContact CE1-CG2 3.39Å; Y461-T544 HydrophobicContact CE2-CG2 4.35Å; Y461-T544 HydrophobicContact CG-CG2 4.36Å |
| 462 | V | 76.3 | Confident | 71.3 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.7 | -45.7 | 171.4 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | S458 L459 W464 L465 I466 A519 I540 I542 | S458-V462 WeakPolarHBondContact O-CG2 3.37Å; S458-V462 PolarHBondContact O-N 2.89Å; L459-V462 PolarHBondContact O-N 2.97Å; V462-W464 VanDerWaalsContact C-N 3.28Å; V462-W464 PolarHBondContact O-N 3.43Å; V462-L465 PolarHBondContact O-N 3.06Å; V462-I466 HydrophobicContact CG1-CD1 4.09Å; V462-I466 WeakPolarHBondContact O-CG1 3.45Å; V462-I466 PolarHBondContact O-N 3.18Å; V462-A519 HydrophobicContact CG1-CB 4.16Å; V462-I540 HydrophobicContact CG1-CD1 4.05Å; V462-I540 HydrophobicContact CG1-CG2 4.38Å; V462-I540 HydrophobicContact CG2-CD1 3.75Å; V462-I540 HydrophobicContact CG2-CG1 3.85Å; V462-I540 HydrophobicContact CG2-CG2 3.94Å; V462-I542 HydrophobicContact CG2-CD1 3.63Å; V462-I542 HydrophobicContact CG2-CG1 3.97Å |
| 463 | G | 70.8 | Confident | 72.3 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 46% | 0.464 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62 | -31.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L459 N460 Y461 P467 | L459-G463 PolarHBondContact O-N 3.48Å; N460-G463 PolarHBondContact O-N 3.04Å; Y461-G463 VanDerWaalsContact C-N 3.32Å; Y461-G463 PolarHBondContact O-N 3.24Å; G463-P467 WeakPolarHBondContact O-CD 3.43Å |
| 464 | W | 71.8 | Confident | 73.6 | Confident | 74 Ų | 74 | 42.9 Ų | 42.9 | 28% | 0.28 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.5 | -33.1 | 174.8 | 177.4 | 83.5 | 0 | 0 | 0 | 113.2 | N460 Y461 V462 F511 I719 | N460-W464 PolarHBondContact O-N 2.88Å; N460-W464 VanDerWaalsContact O-N 3.14Å; Y461-W464 AromaticContact CD2-CE3 3.81Å; Y461-W464 HydrophobicContact CD2-CE3 3.81Å; Y461-W464 HydrophobicContact CD2-CZ3 4.32Å; Y461-W464 HydrophobicContact CE2-CD2 4.38Å; Y461-W464 AromaticContact CE2-CE3 3.39Å; Y461-W464 HydrophobicContact CE2-CE3 3.39Å; Y461-W464 HydrophobicContact CE2-CH2 4.46Å; Y461-W464 AromaticContact CE2-CZ3 3.44Å; Y461-W464 HydrophobicContact CE2-CZ3 3.44Å; Y461-W464 VanDerWaalsContact CE2-CZ3 3.44Å; Y461-W464 AromaticContact CZ-CZ3 3.87Å; Y461-W464 WeakPolarHBondContact O-CB 3.16Å; Y461-W464 PolarHBondContact O-N 2.92Å; Y461-W464 VanDerWaalsContact O-N 3.14Å; V462-W464 VanDerWaalsContact C-N 3.28Å; V462-W464 PolarHBondContact O-N 3.43Å; W464-F511 AromaticContact CH2-CD2 3.96Å; W464-F511 HydrophobicContact CH2-CD2 3.96Å; W464-F511 HydrophobicContact CH2-CE2 4.15Å; W464-F511 HydrophobicContact CZ3-CD2 4.09Å; W464-F511 HydrophobicContact CZ3-CE2 4.01Å; W464-I719 HydrophobicContact CH2-CD1 3.66Å; W464-I719 HydrophobicContact CH2-CG1 4Å; W464-I719 HydrophobicContact CZ2-CD1 3.91Å; W464-I719 HydrophobicContact CZ2-CG1 4.06Å; W464-I719 HydrophobicContact CZ2-CG2 3.88Å |
| 465 | L | 76.9 | Confident | 75.1 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76 | -37.1 | -178.3 | -72.9 | 175.4 | 0 | 0 | 0 | 114.4 | Y461 V462 V468 A469 F511 N515 A519 I542 | Y461-L465 HydrophobicContact CD1-CD1 4.02Å; Y461-L465 HydrophobicContact CD1-CG 4.48Å; Y461-L465 HydrophobicContact CE1-CD1 3.87Å; Y461-L465 HydrophobicContact CE1-CG 4.31Å; Y461-L465 WeakPolarHBondContact O-CG 3.31Å; Y461-L465 PolarHBondContact O-N 3.49Å; V462-L465 PolarHBondContact O-N 3.06Å; L465-V468 PolarHBondContact O-N 2.99Å; L465-A469 PolarHBondContact O-N 3.19Å; L465-F511 HydrophobicContact CD2-CD2 4.41Å; L465-F511 HydrophobicContact CD2-CE2 3.58Å; L465-F511 HydrophobicContact CD2-CZ 4.21Å; L465-N515 HydrophobicContact CD1-CB 4.03Å; L465-A519 HydrophobicContact CB-CB 4.13Å; L465-I542 HydrophobicContact CD1-CD1 3.44Å; L465-I542 VanDerWaalsContact CD1-CD1 3.44Å |
| 466 | I | 81.9 | Confident | 76.2 | Confident | 24 Ų | 24 | 40.4 Ų | 40.4 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -52.7 | -46.1 | -173.8 | -72.4 | 159.7 | 0 | 0 | 0 | 113.5 | V462 V468 S470 A519 C520 Q523 | V462-I466 HydrophobicContact CG1-CD1 4.09Å; V462-I466 WeakPolarHBondContact O-CG1 3.45Å; V462-I466 PolarHBondContact O-N 3.18Å; I466-V468 VanDerWaalsContact C-N 3.25Å; I466-V468 PolarHBondContact O-N 3.06Å; I466-S470 PolarHBondContact O-N 3.42Å; I466-A519 HydrophobicContact CG1-CB 3.93Å; I466-A519 WeakPolarHBondContact CG1-O 3.46Å; I466-C520 PolarHBondContact O-SG 3.37Å; I466-Q523 HydrophobicContact CD1-CB 4.02Å; I466-Q523 HydrophobicContact CD1-CG 4.49Å; I466-Q523 HydrophobicContact CG1-CB 4.49Å |
| 467 | P | 75 | Confident | 77.3 | Confident | 43 Ų | 43 | 39.1 Ų | 39.1 | 28% | 0.279 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.5 | -34.5 | 176.2 | -28 | 37.8 | 0 | 0 | 0 | 114 | G463 S470 N684 N688 C722 | G463-P467 WeakPolarHBondContact O-CD 3.43Å; P467-S470 PolarHBondContact O-OG 3.15Å; P467-N684 PolarHBondContact O-OD1 3.22Å; P467-N688 PolarHBondContact O-ND2 3.45Å; P467-N688 VanDerWaalsContact O-ND2 3.12Å; P467-C722 WeakPolarHBondContact CB-SG 3.15Å |
| 468 | V | 77.7 | Confident | 78.7 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -78.1 | -26.1 | -171.1 | -166.2 | 0 | 0 | 0 | 0 | 112.8 | L465 I466 F511 N684 P718 C722 | L465-V468 PolarHBondContact O-N 2.99Å; I466-V468 VanDerWaalsContact C-N 3.25Å; I466-V468 PolarHBondContact O-N 3.06Å; V468-F511 HydrophobicContact CB-CE2 4.32Å; V468-F511 HydrophobicContact CB-CZ 3.85Å; V468-F511 HydrophobicContact CG1-CE1 3.91Å; V468-F511 HydrophobicContact CG1-CE2 3.99Å; V468-F511 HydrophobicContact CG1-CZ 3.37Å; V468-N684 PolarHBondContact O-ND2 3.18Å; V468-P718 HydrophobicContact CG1-CB 3.72Å; V468-C722 HydrophobicContact CG2-CB 4.06Å |
| 469 | A | 81.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -104.9 | -4.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L465 S471 Y472 G516 V517 | L465-A469 PolarHBondContact O-N 3.19Å; A469-S471 PolarHBondContact O-N 3.29Å; A469-Y472 WeakPolarHBondContact O-CD2 3.37Å; A469-Y472 PolarHBondContact O-N 2.87Å; A469-G516 VanDerWaalsContact CB-O 3.3Å; A469-G516 WeakPolarHBondContact CB-O 3.49Å; A469-V517 HydrophobicContact CB-CG2 3.99Å |
| 470 | S | 81.1 | Confident | 80.5 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -18.6 | -176.6 | 60.9 | 0 | 0 | 0 | 0 | 116.1 | I466 P467 H687 | I466-S470 PolarHBondContact O-N 3.42Å; P467-S470 PolarHBondContact O-OG 3.15Å; S470-H687 PolarHBondContact O-CE1 3.13Å; S470-H687 VanDerWaalsContact O-CE1 3.31Å; S470-H687 PolarHBondContact OG-CD2 3.46Å; S470-H687 PolarHBondContact OG-NE2 2.95Å |
| 471 | S | 80.4 | Confident | 81.7 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -8.1 | 175.4 | 60.2 | 0 | 0 | 0 | 0 | 115.5 | A469 I473 | A469-S471 PolarHBondContact O-N 3.29Å; S471-I473 VanDerWaalsContact C-N 3.32Å; S471-I473 PolarHBondContact O-N 3.29Å |
| 472 | Y | 83.7 | Confident | 82.6 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | trans | -93.3 | 58.7 | -175.5 | -69 | -99 | 0 | 0 | 0 | 111.3 | A469 N474 E475 I476 L513 V517 V673 K676 | A469-Y472 WeakPolarHBondContact O-CD2 3.37Å; A469-Y472 PolarHBondContact O-N 2.87Å; Y472-N474 PolarHBondContact O-N 3.33Å; Y472-E475 WeakPolarHBondContact CA-OE2 3.25Å; Y472-E475 PolarHBondContact O-N 3.01Å; Y472-I476 WeakPolarHBondContact O-CD1 3.48Å; Y472-I476 VanDerWaalsContact O-CG1 3.24Å; Y472-I476 WeakPolarHBondContact O-CG1 3.49Å; Y472-I476 PolarHBondContact O-N 3.33Å; Y472-L513 HydrophobicContact CD2-CD1 4.27Å; Y472-L513 HydrophobicContact CE1-CD2 3.95Å; Y472-L513 HydrophobicContact CE2-CD1 3.78Å; Y472-L513 HydrophobicContact CE2-CD2 4.31Å; Y472-V517 HydrophobicContact CG-CG2 4.31Å; Y472-V673 HydrophobicContact CD1-CG1 4.26Å; Y472-K676 HydrophobicContact CE1-CD 4.09Å; Y472-K676 HydrophobicContact CE1-CG 4.48Å | ||
| 473 | I | 84.5 | Confident | 83 | Confident | 85 Ų | 85 | 36.2 Ų | 36.2 | 44% | 0.436 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.3 | -47.2 | -168.7 | -62.4 | 171.5 | 0 | 0 | 0 | 112 | S471 E475 I476 E477 | S471-I473 VanDerWaalsContact C-N 3.32Å; S471-I473 PolarHBondContact O-N 3.29Å; I473-E475 VanDerWaalsContact C-N 3.27Å; I473-E475 PolarHBondContact O-N 2.78Å; I473-I476 PolarHBondContact O-N 3.04Å; I473-E477 HydrophobicContact CG2-CG 4.31Å; I473-E477 WeakPolarHBondContact O-CG 3.4Å; I473-E477 PolarHBondContact O-N 3.37Å |
| 474 | N | 86.4 | Confident | 83.6 | Confident | 114 Ų | 114 | 39.4 Ų | 39.4 | 61% | 0.61 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -62.3 | -38.9 | -178.1 | -57.6 | 15.8 | 0 | 0 | 0 | 111.5 | Y472 T478 | Y472-N474 PolarHBondContact O-N 3.33Å; N474-T478 WeakPolarHBondContact O-CB 3.45Å; N474-T478 PolarHBondContact O-N 3.24Å; N474-T478 PolarHBondContact O-OG1 2.68Å |
| 475 | E | 88.6 | Confident | 83.9 | Confident | 26 Ų | 26 | 39.4 Ų | 39.4 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.8 | -37.1 | 179.2 | -58 | 87.3 | 158.7 | 0 | 0 | 110.9 | Y472 I473 L479 V517 K676 | Y472-E475 WeakPolarHBondContact CA-OE2 3.25Å; Y472-E475 PolarHBondContact O-N 3.01Å; I473-E475 VanDerWaalsContact C-N 3.27Å; I473-E475 PolarHBondContact O-N 2.78Å; E475-L479 PolarHBondContact O-N 2.92Å; E475-V517 HydrophobicContact CB-CG1 4.04Å; E475-K676 IonicContact OE1-NZ 3.86Å; E475-K676 PolarHBondContact OE1-NZ 3.08Å; E475-K676 IonicContact OE2-NZ 2.66Å |
| 476 | I | 88.6 | Confident | 83.7 | Confident | 16 Ų | 16 | 43.5 Ų | 43.5 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.7 | -44.1 | 173.1 | -65.3 | 160.5 | 0 | 0 | 0 | 111.5 | Y472 I473 T478 L479 L480 V517 C520 | Y472-I476 WeakPolarHBondContact O-CD1 3.48Å; Y472-I476 VanDerWaalsContact O-CG1 3.24Å; Y472-I476 WeakPolarHBondContact O-CG1 3.49Å; Y472-I476 PolarHBondContact O-N 3.33Å; I473-I476 PolarHBondContact O-N 3.04Å; I476-T478 VanDerWaalsContact C-N 3.29Å; I476-T478 PolarHBondContact O-N 3.1Å; I476-L479 PolarHBondContact O-N 3.17Å; I476-L480 HydrophobicContact CG2-CD1 3.9Å; I476-L480 HydrophobicContact CG2-CG 4.48Å; I476-L480 WeakPolarHBondContact O-CG 3.3Å; I476-L480 PolarHBondContact O-N 3.32Å; I476-V517 HydrophobicContact CG1-CG1 4.14Å; I476-C520 HydrophobicContact CD1-CB 3.51Å; I476-C520 HydrophobicContact CG1-CB 3.82Å |
| 477 | E | 88.4 | Confident | 83.3 | Confident | 113 Ų | 113 | 45.8 Ų | 45.8 | 53% | 0.528 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 176.2 | -76 | -174.6 | 159.8 | 0 | 0 | 111.7 | I473 L479 L480 C481 | I473-E477 HydrophobicContact CG2-CG 4.31Å; I473-E477 WeakPolarHBondContact O-CG 3.4Å; I473-E477 PolarHBondContact O-N 3.37Å; E477-L479 VanDerWaalsContact C-N 3.33Å; E477-L479 PolarHBondContact O-N 3.32Å; E477-L480 PolarHBondContact O-N 2.66Å; E477-C481 PolarHBondContact O-N 2.97Å; E477-C481 PolarHBondContact O-SG 3.11Å |
| 478 | T | 88.8 | Confident | 82.9 | Confident | 64 Ų | 64 | 47.1 Ų | 47.1 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 175.6 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | N474 I476 Y482 L671 | N474-T478 WeakPolarHBondContact O-CB 3.45Å; N474-T478 PolarHBondContact O-N 3.24Å; N474-T478 PolarHBondContact O-OG1 2.68Å; I476-T478 VanDerWaalsContact C-N 3.29Å; I476-T478 PolarHBondContact O-N 3.1Å; T478-Y482 PolarHBondContact O-N 3.32Å; T478-Y482 VanDerWaalsContact O-N 3.08Å; T478-L671 HydrophobicContact CG2-CD1 4.35Å; T478-L671 HydrophobicContact CG2-CD2 4.32Å |
| 479 | L | 88.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 175.8 | -75.5 | 162.2 | 0 | 0 | 0 | 112.7 | E475 I476 E477 Y482 V483 M494 V496 V517 C521 I637 L671 | E475-L479 PolarHBondContact O-N 2.92Å; I476-L479 PolarHBondContact O-N 3.17Å; E477-L479 VanDerWaalsContact C-N 3.33Å; E477-L479 PolarHBondContact O-N 3.32Å; L479-Y482 WeakPolarHBondContact O-CB 3.42Å; L479-Y482 PolarHBondContact O-N 3.15Å; L479-V483 WeakPolarHBondContact O-CG2 3.42Å; L479-V483 PolarHBondContact O-N 2.82Å; L479-M494 HydrophobicContact CD2-CG 4.09Å; L479-M494 HydrophobicContact CD2-SD 3.42Å; L479-M494 WeakPolarHBondContact CD2-SD 3.4Å; L479-M494 HydrophobicContact CG-SD 4.33Å; L479-V496 HydrophobicContact CD1-CG2 4.05Å; L479-V496 HydrophobicContact CD2-CG2 3.54Å; L479-V496 HydrophobicContact CG-CG2 4.28Å; L479-V517 HydrophobicContact CD1-CG1 3.65Å; L479-C521 HydrophobicContact CB-CB 4Å; L479-C521 HydrophobicContact CD1-CB 4.07Å; L479-I637 HydrophobicContact CD2-CD1 3.94Å; L479-I637 HydrophobicContact CD2-CG1 4.15Å; L479-I637 HydrophobicContact CD2-CG2 4.11Å; L479-L671 HydrophobicContact CD1-CD2 4.35Å; L479-L671 HydrophobicContact CD2-CD2 4.46Å; L479-L671 HydrophobicContact CG-CD2 4.01Å |
| 480 | L | 87.8 | Confident | 81.9 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -44.2 | 175.9 | -72.8 | 164 | 0 | 0 | 0 | 111.2 | I476 E477 Y482 V483 E484 E524 V525 | I476-L480 HydrophobicContact CG2-CD1 3.9Å; I476-L480 HydrophobicContact CG2-CG 4.48Å; I476-L480 WeakPolarHBondContact O-CG 3.3Å; I476-L480 PolarHBondContact O-N 3.32Å; E477-L480 PolarHBondContact O-N 2.66Å; L480-Y482 VanDerWaalsContact C-N 3.34Å; L480-Y482 PolarHBondContact O-N 2.86Å; L480-V483 PolarHBondContact O-N 2.88Å; L480-E484 WeakPolarHBondContact O-CG 3.48Å; L480-E484 PolarHBondContact O-N 3.34Å; L480-E524 HydrophobicContact CD1-CB 4Å; L480-E524 HydrophobicContact CD2-CB 3.94Å; L480-V525 HydrophobicContact CD2-CG2 3.75Å |
| 481 | C | 87.7 | Confident | 81.9 | Confident | 83 Ų | 83 | 53.7 Ų | 53.7 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.5 | -44.1 | 171.8 | -70.5 | 0 | 0 | 0 | 0 | 112 | E477 V483 E484 D485 | E477-C481 PolarHBondContact O-N 2.97Å; E477-C481 PolarHBondContact O-SG 3.11Å; C481-V483 VanDerWaalsContact C-N 3.34Å; C481-V483 PolarHBondContact O-N 3.01Å; C481-E484 PolarHBondContact O-N 3.5Å; C481-D485 VanDerWaalsContact O-CB 3.27Å; C481-D485 WeakPolarHBondContact O-CB 3.42Å; C481-D485 PolarHBondContact O-N 3.18Å |
| 482 | Y | 88.9 | Confident | 82.2 | Confident | 8 Ų | 8 | 54 Ų | 54 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 175.6 | 164 | -101.5 | 0 | 0 | 0 | 113.1 | T478 L479 L480 V492 M494 K635 L636 I637 L669 | T478-Y482 PolarHBondContact O-N 3.32Å; T478-Y482 VanDerWaalsContact O-N 3.08Å; L479-Y482 WeakPolarHBondContact O-CB 3.42Å; L479-Y482 PolarHBondContact O-N 3.15Å; L480-Y482 VanDerWaalsContact C-N 3.34Å; L480-Y482 PolarHBondContact O-N 2.86Å; Y482-V492 WeakPolarHBondContact CE2-O 3.4Å; Y482-V492 PolarHBondContact OH-O 2.84Å; Y482-M494 HydrophobicContact CD1-CB 3.82Å; Y482-M494 HydrophobicContact CD1-CE 4.48Å; Y482-M494 HydrophobicContact CD1-CG 4.48Å; Y482-M494 HydrophobicContact CD1-SD 3.96Å; Y482-M494 HydrophobicContact CD2-CB 4.2Å; Y482-M494 HydrophobicContact CD2-CE 3.87Å; Y482-M494 HydrophobicContact CD2-SD 4.4Å; Y482-M494 HydrophobicContact CE1-CB 3.69Å; Y482-M494 HydrophobicContact CE2-CB 4.07Å; Y482-M494 HydrophobicContact CG-CB 4.09Å; Y482-M494 HydrophobicContact CG-CE 3.71Å; Y482-M494 HydrophobicContact CG-SD 3.75Å; Y482-K635 HydrophobicContact CE1-CB 4.36Å; Y482-K635 HydrophobicContact CE1-CD 4.11Å; Y482-K635 HydrophobicContact CE2-CD 4.27Å; Y482-K635 VanDerWaalsContact O-CE 3.31Å; Y482-K635 WeakPolarHBondContact O-CE 3.21Å; Y482-K635 PolarHBondContact O-NZ 3.23Å; Y482-L636 PolarHBondContact OH-N 3.09Å; Y482-L636 PolarHBondContact OH-O 3.32Å; Y482-I637 HydrophobicContact CD1-CG1 4.28Å; Y482-I637 HydrophobicContact CE1-CG1 4.03Å; Y482-L669 HydrophobicContact CD2-CD1 3.96Å; Y482-L669 HydrophobicContact CE2-CD1 4.34Å |
| 483 | V | 84.5 | Confident | 82.3 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.7 | -40.8 | 177.9 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | L479 L480 C481 V525 I596 K635 I637 | L479-V483 WeakPolarHBondContact O-CG2 3.42Å; L479-V483 PolarHBondContact O-N 2.82Å; L480-V483 PolarHBondContact O-N 2.88Å; C481-V483 VanDerWaalsContact C-N 3.34Å; C481-V483 PolarHBondContact O-N 3.01Å; V483-V525 HydrophobicContact CB-CG2 4.44Å; V483-V525 HydrophobicContact CG1-CG2 4.01Å; V483-V525 HydrophobicContact CG2-CG2 4.36Å; V483-I596 HydrophobicContact CG1-CD1 3.64Å; V483-I596 HydrophobicContact CG1-CG1 4.47Å; V483-K635 WeakPolarHBondContact O-CE 3.44Å; V483-I637 HydrophobicContact CG2-CD1 4.09Å |
| 484 | E | 81.7 | Confident | 82.6 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 52% | 0.523 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -83.4 | -20.1 | -175.7 | -67.3 | 179.2 | 154.6 | 0 | 0 | 114.2 | L480 C481 A486 R528 | L480-E484 WeakPolarHBondContact O-CG 3.48Å; L480-E484 PolarHBondContact O-N 3.34Å; C481-E484 PolarHBondContact O-N 3.5Å; E484-A486 PolarHBondContact O-N 3.38Å; E484-R528 WeakPolarHBondContact OE1-CD 3.22Å; E484-R528 IonicContact OE1-CZ 3.42Å; E484-R528 IonicContact OE1-NE 2.68Å; E484-R528 IonicContact OE1-NH1 3.48Å; E484-R528 PolarHBondContact OE1-NH1 3.26Å; E484-R528 IonicContact OE2-NH1 2.59Å; E484-R528 PolarHBondContact OE2-NH1 3.33Å |
| 485 | D | 79.5 | Confident | 82.8 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | trans | -70.2 | 129 | -176.9 | -170.8 | 7.7 | 0 | 0 | 0 | 113.2 | C481 D487 A490 K635 | C481-D485 VanDerWaalsContact O-CB 3.27Å; C481-D485 WeakPolarHBondContact O-CB 3.42Å; C481-D485 PolarHBondContact O-N 3.18Å; D485-D487 WeakPolarHBondContact OD1-CB 3.26Å; D485-D487 PolarHBondContact OD1-N 3.41Å; D485-A490 HydrophobicContact CB-CB 3.72Å; D485-A490 WeakPolarHBondContact OD2-CB 3.28Å; D485-K635 WeakPolarHBondContact O-CE 3.35Å; D485-K635 PolarHBondContact O-NZ 3.05Å | ||
| 486 | A | 71.3 | Confident | 82.9 | Confident | 88 Ų | 88 | 43.6 Ų | 43.6 | 73% | 0.727 | 25% | 0.253 | S | S | * | . | trans | -98.2 | -5.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E484 | E484-A486 PolarHBondContact O-N 3.38Š| ||
| 487 | D | 75.5 | Confident | 82.8 | Confident | 72 Ų | 72 | 43.5 Ų | 43.5 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -61.3 | 141.2 | 179.3 | -169.6 | -76.8 | 0 | 0 | 0 | 111.7 | D485 T489 A490 | D485-D487 WeakPolarHBondContact OD1-CB 3.26Å; D485-D487 PolarHBondContact OD1-N 3.41Å; D487-T489 PolarHBondContact O-N 3.19Å; D487-T489 VanDerWaalsContact OD1-CB 3.28Å; D487-T489 WeakPolarHBondContact OD1-CB 3.34Å; D487-T489 WeakPolarHBondContact OD1-CG2 3.32Å; D487-T489 PolarHBondContact OD1-N 2.93Å; D487-T489 PolarHBondContact OD1-OG1 2.94Å; D487-A490 PolarHBondContact O-N 2.56Å |
| 488 | P | 65.8 | Low | 82.6 | Confident | 70 Ų | 70 | 38.6 Ų | 38.6 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -11.6 | 176.2 | 24.9 | -36 | 0 | 0 | 0 | 115.2 | ||
| 489 | T | 67.8 | Low | 81.9 | Confident | 100 Ų | 100 | 38 Ų | 38 | 61% | 0.613 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -32.3 | 168.6 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | D487 Q491 | D487-T489 PolarHBondContact O-N 3.19Å; D487-T489 VanDerWaalsContact OD1-CB 3.28Å; D487-T489 WeakPolarHBondContact OD1-CB 3.34Å; D487-T489 WeakPolarHBondContact OD1-CG2 3.32Å; D487-T489 PolarHBondContact OD1-N 2.93Å; D487-T489 PolarHBondContact OD1-OG1 2.94Å; T489-Q491 PolarHBondContact O-N 3.49Å |
| 490 | A | 70.5 | Confident | 80.7 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -81.5 | 13.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D485 D487 V492 K635 | D485-A490 HydrophobicContact CB-CB 3.72Å; D485-A490 WeakPolarHBondContact OD2-CB 3.28Å; D487-A490 PolarHBondContact O-N 2.56Å; A490-V492 VanDerWaalsContact C-N 3.29Å; A490-V492 PolarHBondContact O-N 3.27Å; A490-K635 PolarHBondContact O-NZ 3.5Å |
| 491 | Q | 81.4 | Confident | 79.3 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 23% | 0.229 | 27% | 0.268 | C | S | . | . | trans | -93.3 | 42.4 | 172.8 | -63.3 | -178.5 | 3.8 | 0 | 0 | 111.7 | T489 R629 L630 | T489-Q491 PolarHBondContact O-N 3.49Å; Q491-R629 CarbonylContact O-C 3.33Å; Q491-R629 WeakPolarHBondContact O-CA 3.2Å; Q491-R629 WeakPolarHBondContact O-CB 3.18Å; Q491-L630 PolarHBondContact O-N 2.77Å | ||
| 492 | V | 86.1 | Confident | 77.4 | Confident | 23 Ų | 23 | 49.3 Ų | 49.3 | 14% | 0.139 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -132.4 | 159.3 | 175.3 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | Y482 A490 L669 | Y482-V492 WeakPolarHBondContact CE2-O 3.4Å; Y482-V492 PolarHBondContact OH-O 2.84Å; A490-V492 VanDerWaalsContact C-N 3.29Å; A490-V492 PolarHBondContact O-N 3.27Å; V492-L669 HydrophobicContact CG2-CD1 4.02Å; V492-L669 HydrophobicContact CG2-CG 3.75Å |
| 493 | P | 87.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -56.7 | 150.2 | 169.9 | -26.2 | 36.4 | 0 | 0 | 0 | 113 | L626 L630 L636 S668 L669 | P493-L626 HydrophobicContact CB-CD2 3.97Å; P493-L626 HydrophobicContact CG-CD2 3.88Å; P493-L630 HydrophobicContact CG-CD2 4.34Å; P493-L630 HydrophobicContact CG-CG 4.39Å; P493-L636 HydrophobicContact CB-CD2 4.06Å; P493-L636 HydrophobicContact CG-CD2 4.2Å; P493-S668 CarbonylContact O-C 3.59Å; P493-S668 WeakPolarHBondContact O-CA 3.47Å; P493-S668 WeakPolarHBondContact O-CB 3.38Å; P493-L669 PolarHBondContact O-N 3.4Å | ||
| 494 | M | 90.4 | Very high | 73.4 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.059 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.5 | 165.9 | -177.9 | 161.2 | -81.1 | 0 | 0 | 110.7 | L479 Y482 V496 L636 I637 L638 L669 | L479-M494 HydrophobicContact CD2-CG 4.09Å; L479-M494 HydrophobicContact CD2-SD 3.42Å; L479-M494 WeakPolarHBondContact CD2-SD 3.4Å; L479-M494 HydrophobicContact CG-SD 4.33Å; Y482-M494 HydrophobicContact CD1-CB 3.82Å; Y482-M494 HydrophobicContact CD1-CE 4.48Å; Y482-M494 HydrophobicContact CD1-CG 4.48Å; Y482-M494 HydrophobicContact CD1-SD 3.96Å; Y482-M494 HydrophobicContact CD2-CB 4.2Å; Y482-M494 HydrophobicContact CD2-CE 3.87Å; Y482-M494 HydrophobicContact CD2-SD 4.4Å; Y482-M494 HydrophobicContact CE1-CB 3.69Å; Y482-M494 HydrophobicContact CE2-CB 4.07Å; Y482-M494 HydrophobicContact CG-CB 4.09Å; Y482-M494 HydrophobicContact CG-CE 3.71Å; Y482-M494 HydrophobicContact CG-SD 3.75Å; M494-V496 HydrophobicContact CG-CG2 4.48Å; M494-L636 PolarHBondContact N-O 2.94Å; M494-I637 WeakPolarHBondContact O-CA 3.36Å; M494-L638 PolarHBondContact O-N 3.44Å; M494-L669 CarbonylContact C-O 3.53Å; M494-L669 WeakPolarHBondContact CA-O 3.18Å; M494-L669 HydrophobicContact CE-CB 3.59Å; M494-L669 HydrophobicContact CE-CD1 3.87Å; M494-L669 HydrophobicContact CE-CG 4.37Å |
| 495 | L | 89.1 | Confident | 71.5 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 116.5 | 176 | 172.9 | 60.4 | 0 | 0 | 0 | 109.5 | Y497 I602 L621 L638 P665 L669 N670 L671 | L495-Y497 HydrophobicContact CG-CD1 4.31Å; L495-I602 HydrophobicContact CD1-CD1 3.68Å; L495-L621 HydrophobicContact CD1-CD1 4.43Å; L495-L621 HydrophobicContact CD1-CD2 3.88Å; L495-L621 HydrophobicContact CD2-CD1 3.74Å; L495-L621 HydrophobicContact CD2-CD2 3.92Å; L495-L621 HydrophobicContact CG-CD2 4.48Å; L495-L638 HydrophobicContact CD1-CB 4.05Å; L495-P665 HydrophobicContact CD2-CG 4.04Å; L495-L669 PolarHBondContact N-O 3.47Å; L495-N670 CarbonylContact O-C 3.55Å; L495-N670 WeakPolarHBondContact O-CA 3.4Å; L495-L671 PolarHBondContact O-N 2.72Å |
| 496 | V | 90.8 | Very high | 69.6 | Low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.5 | 173.2 | -170.4 | 0 | 0 | 0 | 0 | 107.6 | L479 M494 A514 I637 L638 S639 G640 L671 V673 | L479-V496 HydrophobicContact CD1-CG2 4.05Å; L479-V496 HydrophobicContact CD2-CG2 3.54Å; L479-V496 HydrophobicContact CG-CG2 4.28Å; M494-V496 HydrophobicContact CG-CG2 4.48Å; V496-A514 HydrophobicContact CB-CB 4.43Å; V496-A514 HydrophobicContact CG1-CB 3.91Å; V496-A514 WeakPolarHBondContact O-CB 3.33Å; V496-I637 HydrophobicContact CG2-CG2 3.85Å; V496-L638 PolarHBondContact N-O 2.97Å; V496-S639 VanDerWaalsContact O-CA 3.3Å; V496-S639 WeakPolarHBondContact O-CA 3.22Å; V496-G640 PolarHBondContact O-N 2.78Å; V496-L671 WeakPolarHBondContact CA-O 3.26Å; V496-L671 HydrophobicContact CG1-CD2 4.43Å; V496-L671 HydrophobicContact CG2-CD2 4.39Å; V496-V673 HydrophobicContact CG1-CG2 3.47Å; V496-V673 VanDerWaalsContact CG1-CG2 3.47Å |
| 497 | Y | 88.1 | Confident | 68.3 | Low | 15 Ų | 15 | 65.9 Ų | 65.9 | 6% | 0.059 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 149.6 | -174.2 | 70.2 | -82.5 | 0 | 0 | 0 | 113.8 | L495 T499 G640 L642 I662 L664 N670 L671 E672 V673 | L495-Y497 HydrophobicContact CG-CD1 4.31Å; Y497-T499 HydrophobicContact CD2-CG2 3.94Å; Y497-T499 HydrophobicContact CE2-CG2 3.72Å; Y497-G640 VanDerWaalsContact CA-O 3.31Å; Y497-G640 WeakPolarHBondContact CA-O 3.29Å; Y497-L642 HydrophobicContact CD2-CB 4.41Å; Y497-L642 HydrophobicContact CD2-CD1 3.71Å; Y497-L642 HydrophobicContact CD2-CG 4.31Å; Y497-L642 HydrophobicContact CE2-CD1 4.4Å; Y497-L642 HydrophobicContact CG-CD1 3.76Å; Y497-L642 HydrophobicContact CG-CG 4.4Å; Y497-I662 HydrophobicContact CE2-CD1 4.31Å; Y497-L664 HydrophobicContact CD1-CD2 4.37Å; Y497-L664 HydrophobicContact CE1-CD1 4.3Å; Y497-L664 HydrophobicContact CE1-CD2 3.88Å; Y497-L664 HydrophobicContact CE2-CD2 4.27Å; Y497-L664 WeakPolarHBondContact OH-CD1 3.46Å; Y497-N670 HydrophobicContact CE1-CB 4.24Å; Y497-L671 WeakPolarHBondContact CD1-O 3.41Å; Y497-L671 PolarHBondContact N-O 3.1Å; Y497-E672 HydrophobicContact CD2-CG 4.21Å; Y497-E672 HydrophobicContact CE1-CB 3.97Å; Y497-E672 HydrophobicContact CE2-CB 3.95Å; Y497-E672 HydrophobicContact CE2-CG 3.63Å; Y497-E672 CarbonylContact O-C 3.53Å; Y497-E672 WeakPolarHBondContact O-CA 3.24Å; Y497-V673 PolarHBondContact O-N 3.48Å |
| 498 | S | 83.9 | Confident | 67 | Low | 10 Ų | 10 | 67.1 Ų | 67.1 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.7 | 170 | -69.4 | 0 | 0 | 0 | 0 | 109.7 | A514 G640 N641 L642 V673 | S498-A514 PolarHBondContact OG-N 3.16Å; S498-G640 PolarHBondContact N-O 2.87Å; S498-N641 CarbonylContact O-C 3.57Å; S498-N641 WeakPolarHBondContact O-CA 3.39Å; S498-L642 PolarHBondContact O-N 2.86Å; S498-V673 PolarHBondContact OG-O 3.04Å |
| 499 | T | 73.1 | Confident | 66.3 | Low | 51 Ų | 51 | 68.1 Ų | 68.1 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.9 | -172.5 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | Y497 L642 I662 E672 | Y497-T499 HydrophobicContact CD2-CG2 3.94Å; Y497-T499 HydrophobicContact CE2-CG2 3.72Å; T499-L642 WeakPolarHBondContact CA-O 3.42Å; T499-I662 HydrophobicContact CG2-CD1 3.59Å; T499-E672 HydrophobicContact CG2-CG 4.41Å; T499-E672 WeakPolarHBondContact CG2-OE1 3.37Å; T499-E672 PolarHBondContact OG1-OE1 3.2Å |
| 500 | C | 63.5 | Low | 65.7 | Low | 18 Ų | 18 | 67.3 Ų | 67.3 | 12% | 0.122 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.8 | 179.5 | -63.6 | 0 | 0 | 0 | 0 | 111.7 | Q510 L642 | C500-Q510 PolarHBondContact SG-OE1 2.81Å; C500-L642 PolarHBondContact N-O 3.39Å |
| 501 | R | 57.8 | Low | 65.6 | Low | 215 Ų | 215 | 68.6 Ų | 68.6 | 81% | 0.811 | 34% | 0.343 | S | S | * | . | trans | -82.5 | 128.9 | 176.1 | -70.9 | -176.6 | 174.7 | -176.7 | -1.9 | 110.7 | T503 | R501-T503 PolarHBondContact O-N 3.42Š| ||
| 502 | T | 47.7 | Very low | 65.3 | Low | 96 Ų | 96 | 66.5 Ų | 66.5 | 59% | 0.589 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 31.8 | -167.8 | 40.5 | 0 | 0 | 0 | 0 | 114.7 | T643 M644 | T502-T643 HydrophobicContact CG2-CG2 4.22Å; T502-M644 WeakPolarHBondContact CG2-O 3.47Å; T502-M644 PolarHBondContact OG1-O 2.71Å; T502-M644 VanDerWaalsContact OG1-O 3.06Å |
| 503 | T | 48.1 | Very low | 65.1 | Low | 112 Ų | 112 | 65.8 Ų | 65.8 | 69% | 0.687 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -22.4 | -173.4 | 48.9 | 0 | 0 | 0 | 0 | 115.3 | R501 | R501-T503 PolarHBondContact O-N 3.42Š|
| 504 | D | 41.5 | Very low | 65.1 | Low | 84 Ų | 84 | 65.8 Ų | 65.8 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | trans | -102.3 | 114.8 | -165.1 | -71.5 | 28.7 | 0 | 0 | 0 | 111.5 | T506 K715 | D504-T506 PolarHBondContact O-N 3.18Å; D504-K715 WeakPolarHBondContact OD2-CE 3.5Å; D504-K715 IonicContact OD2-NZ 3.22Å; D504-K715 PolarHBondContact OD2-NZ 3.36Å; D504-K715 VanDerWaalsContact OD2-NZ 3.11Å | ||
| 505 | K | 42.9 | Very low | 65 | Low | 212 Ų | 212 | 65.5 Ų | 65.5 | 92% | 0.922 | 33% | 0.328 | S | S | * | . | trans | -81.4 | 41.4 | 179.3 | -65.4 | -170.6 | 173.3 | -170.3 | 0 | 113.7 | ||||
| 506 | T | 40.1 | Very low | 64.8 | Low | 71 Ų | 71 | 65.4 Ų | 65.4 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | trans | -124 | 124.2 | -177 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | D504 E508 K715 | D504-T506 PolarHBondContact O-N 3.18Å; T506-E508 PolarHBondContact O-N 2.63Å; T506-K715 PolarHBondContact OG1-NZ 3.03Å | ||
| 507 | N | 43.2 | Very low | 64.7 | Low | 170 Ų | 170 | 65.4 Ų | 65.4 | 91% | 0.909 | 33% | 0.327 | S | S | * | . | trans | -73.2 | 41.5 | -179 | -63 | 8.5 | 0 | 0 | 0 | 112.9 | E509 | N507-E509 PolarHBondContact O-N 3.33Š| ||
| 508 | E | 48.7 | Very low | 64.7 | Low | 97 Ų | 97 | 64.7 Ų | 64.7 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | trans | -88.5 | 99.9 | 176 | -65.8 | 175.6 | 155.5 | 0 | 0 | 108.5 | T506 Q510 K715 | T506-E508 PolarHBondContact O-N 2.63Å; E508-Q510 PolarHBondContact O-N 3.44Å; E508-K715 IonicContact OE2-NZ 3.97Å; E508-K715 PolarHBondContact OE2-NZ 3.07Å | ||
| 509 | E | 51 | Low | 64.9 | Low | 92 Ų | 92 | 64.2 Ų | 64.2 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | trans | -56.9 | 118.8 | 177.1 | -66.1 | 177.9 | 140.5 | 0 | 0 | 110.7 | N507 H604 Q843 | N507-E509 PolarHBondContact O-N 3.33Å; E509-H604 IonicContact OE1-CE1 3.89Å; E509-H604 PolarHBondContact OE1-CE1 2.86Å; E509-Q843 PolarHBondContact OE1-NE2 3.2Å; E509-Q843 PolarHBondContact OE2-NE2 2.94Å | ||
| 510 | Q | 55.7 | Low | 65.6 | Low | 83 Ų | 83 | 62.1 Ų | 62.1 | 39% | 0.388 | 31% | 0.309 | S | S | . | . | trans | -84 | 135.5 | -172.6 | -68.1 | -176.5 | -15.1 | 0 | 0 | 111.6 | C500 E508 C512 N641 | C500-Q510 PolarHBondContact SG-OE1 2.81Å; E508-Q510 PolarHBondContact O-N 3.44Å; Q510-C512 PolarHBondContact O-N 3.39Å; Q510-N641 PolarHBondContact O-ND2 3.27Å | ||
| 511 | F | 67 | Low | 66.8 | Low | 29 Ų | 29 | 61.3 Ų | 61.3 | 13% | 0.127 | 30% | 0.303 | C | S | . | . | trans | -50.5 | 112.9 | 173.4 | 170.9 | -94.9 | 0 | 0 | 0 | 111.7 | W464 L465 V468 L513 P718 I719 | W464-F511 AromaticContact CH2-CD2 3.96Å; W464-F511 HydrophobicContact CH2-CD2 3.96Å; W464-F511 HydrophobicContact CH2-CE2 4.15Å; W464-F511 HydrophobicContact CZ3-CD2 4.09Å; W464-F511 HydrophobicContact CZ3-CE2 4.01Å; L465-F511 HydrophobicContact CD2-CD2 4.41Å; L465-F511 HydrophobicContact CD2-CE2 3.58Å; L465-F511 HydrophobicContact CD2-CZ 4.21Å; V468-F511 HydrophobicContact CB-CE2 4.32Å; V468-F511 HydrophobicContact CB-CZ 3.85Å; V468-F511 HydrophobicContact CG1-CE1 3.91Å; V468-F511 HydrophobicContact CG1-CE2 3.99Å; V468-F511 HydrophobicContact CG1-CZ 3.37Å; F511-L513 HydrophobicContact CD1-CB 4.49Å; F511-L513 HydrophobicContact CE1-CB 4.07Å; F511-L513 HydrophobicContact CE1-CD1 4.01Å; F511-L513 PolarHBondContact O-N 3Å; F511-P718 HydrophobicContact CD1-CB 4.39Å; F511-P718 HydrophobicContact CD1-CG 4.37Å; F511-P718 HydrophobicContact CE1-CB 4.15Å; F511-P718 HydrophobicContact CE1-CG 4.49Å; F511-I719 HydrophobicContact CB-CD1 4.05Å; F511-I719 HydrophobicContact CD2-CD1 3.71Å; F511-I719 HydrophobicContact CD2-CG1 3.76Å; F511-I719 HydrophobicContact CE2-CD1 4.49Å; F511-I719 HydrophobicContact CE2-CG1 4.1Å; F511-I719 HydrophobicContact CG-CD1 4.04Å; F511-I719 HydrophobicContact CG-CG1 4.15Å | ||
| 512 | C | 75.4 | Confident | 68.3 | Low | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.041 | 27% | 0.269 | C | S | . | . | trans | -78.4 | 103.3 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | Q510 A514 N515 G640 N641 | Q510-C512 PolarHBondContact O-N 3.39Å; C512-A514 VanDerWaalsContact C-N 3.33Å; C512-A514 PolarHBondContact O-N 2.61Å; C512-N515 HydrophobicContact CB-CB 4.11Å; C512-N515 WeakPolarHBondContact CB-ND2 3.49Å; C512-N515 PolarHBondContact O-N 3.27Å; C512-N515 PolarHBondContact SG-N 2.85Å; C512-G640 WeakPolarHBondContact SG-CA 3.34Å; C512-N641 WeakPolarHBondContact CB-ND2 3.41Å | ||
| 513 | L | 82.9 | Confident | 70.1 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 179.1 | 179.6 | 63.7 | 0 | 0 | 0 | 112.3 | Y472 F511 N515 G516 V517 V673 | Y472-L513 HydrophobicContact CD2-CD1 4.27Å; Y472-L513 HydrophobicContact CE1-CD2 3.95Å; Y472-L513 HydrophobicContact CE2-CD1 3.78Å; Y472-L513 HydrophobicContact CE2-CD2 4.31Å; F511-L513 HydrophobicContact CD1-CB 4.49Å; F511-L513 HydrophobicContact CE1-CB 4.07Å; F511-L513 HydrophobicContact CE1-CD1 4.01Å; F511-L513 PolarHBondContact O-N 3Å; L513-N515 PolarHBondContact O-N 3.29Å; L513-G516 PolarHBondContact O-N 3.32Å; L513-G516 VanDerWaalsContact O-N 3.12Å; L513-V517 PolarHBondContact O-N 2.88Å; L513-V517 VanDerWaalsContact O-N 3.09Å; L513-V673 HydrophobicContact CD2-CG1 3.79Å; L513-V673 HydrophobicContact CG-CG1 3.74Å |
| 514 | A | 86.5 | Confident | 71.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.4 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V496 S498 C512 G516 V517 A518 | V496-A514 HydrophobicContact CB-CB 4.43Å; V496-A514 HydrophobicContact CG1-CB 3.91Å; V496-A514 WeakPolarHBondContact O-CB 3.33Å; S498-A514 PolarHBondContact OG-N 3.16Å; C512-A514 VanDerWaalsContact C-N 3.33Å; C512-A514 PolarHBondContact O-N 2.61Å; A514-G516 PolarHBondContact O-N 2.76Å; A514-V517 PolarHBondContact O-N 2.97Å; A514-A518 PolarHBondContact O-N 3.41Å |
| 515 | N | 87.3 | Confident | 73.9 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.9 | -36.9 | 174.4 | -73.1 | -16.6 | 0 | 0 | 0 | 111.5 | L465 C512 L513 A519 G600 G601 S639 | L465-N515 HydrophobicContact CD1-CB 4.03Å; C512-N515 HydrophobicContact CB-CB 4.11Å; C512-N515 WeakPolarHBondContact CB-ND2 3.49Å; C512-N515 PolarHBondContact O-N 3.27Å; C512-N515 PolarHBondContact SG-N 2.85Å; L513-N515 PolarHBondContact O-N 3.29Å; N515-A519 WeakPolarHBondContact O-CB 3.13Å; N515-A519 PolarHBondContact O-N 3.06Å; N515-G600 WeakPolarHBondContact OD1-CA 3.36Å; N515-G601 PolarHBondContact ND2-N 3.38Å; N515-G601 VanDerWaalsContact ND2-N 3.17Å; N515-G601 PolarHBondContact OD1-N 2.96Å; N515-S639 WeakPolarHBondContact OD1-CB 3.45Å; N515-S639 PolarHBondContact OD1-O 2.84Å; N515-S639 PolarHBondContact OD1-OG 3.42Å |
| 516 | G | 85.3 | Confident | 75.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A469 L513 A514 A518 A519 C520 | A469-G516 VanDerWaalsContact CB-O 3.3Å; A469-G516 WeakPolarHBondContact CB-O 3.49Å; L513-G516 PolarHBondContact O-N 3.32Å; L513-G516 VanDerWaalsContact O-N 3.12Å; A514-G516 PolarHBondContact O-N 2.76Å; G516-A518 VanDerWaalsContact C-N 3.35Å; G516-A519 PolarHBondContact O-N 2.81Å; G516-C520 PolarHBondContact O-N 3.38Å; G516-C520 PolarHBondContact O-SG 2.76Å |
| 517 | V | 89.2 | Confident | 77.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -39.2 | 178.6 | 173.8 | 0 | 0 | 0 | 0 | 111 | A469 Y472 E475 I476 L479 L513 A514 C520 C521 V673 | A469-V517 HydrophobicContact CB-CG2 3.99Å; Y472-V517 HydrophobicContact CG-CG2 4.31Å; E475-V517 HydrophobicContact CB-CG1 4.04Å; I476-V517 HydrophobicContact CG1-CG1 4.14Å; L479-V517 HydrophobicContact CD1-CG1 3.65Å; L513-V517 PolarHBondContact O-N 2.88Å; L513-V517 VanDerWaalsContact O-N 3.09Å; A514-V517 PolarHBondContact O-N 2.97Å; V517-C520 PolarHBondContact O-N 3.48Å; V517-C521 PolarHBondContact O-N 2.77Å; V517-V673 HydrophobicContact CB-CG2 4.49Å; V517-V673 HydrophobicContact CG2-CG1 3.76Å; V517-V673 HydrophobicContact CG2-CG2 4.38Å |
| 518 | A | 88.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A514 G516 C520 C521 F522 I598 I637 S639 | A514-A518 PolarHBondContact O-N 3.41Å; G516-A518 VanDerWaalsContact C-N 3.35Å; A518-C520 PolarHBondContact O-N 2.98Å; A518-C521 WeakPolarHBondContact O-CB 3.46Å; A518-C521 PolarHBondContact O-N 3.02Å; A518-F522 PolarHBondContact O-N 3.18Å; A518-I598 HydrophobicContact CB-CG2 3.88Å; A518-I637 HydrophobicContact CB-CG2 4.16Å; A518-S639 WeakPolarHBondContact CB-OG 3.48Å |
| 519 | A | 86.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.9 | -35.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V462 L465 I466 N515 G516 F522 Q523 I540 | V462-A519 HydrophobicContact CG1-CB 4.16Å; L465-A519 HydrophobicContact CB-CB 4.13Å; I466-A519 HydrophobicContact CG1-CB 3.93Å; I466-A519 WeakPolarHBondContact CG1-O 3.46Å; N515-A519 WeakPolarHBondContact O-CB 3.13Å; N515-A519 PolarHBondContact O-N 3.06Å; G516-A519 PolarHBondContact O-N 2.81Å; A519-F522 WeakPolarHBondContact O-CB 3.41Å; A519-F522 PolarHBondContact O-N 2.85Å; A519-Q523 PolarHBondContact O-N 2.92Å; A519-Q523 VanDerWaalsContact O-N 3.17Å; A519-I540 HydrophobicContact CB-CD1 4.49Å |
| 520 | C | 88.8 | Confident | 80.9 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 5% | 0.047 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 171.6 | -67.3 | 0 | 0 | 0 | 0 | 112 | I466 I476 G516 V517 A518 F522 Q523 E524 | I466-C520 PolarHBondContact O-SG 3.37Å; I476-C520 HydrophobicContact CD1-CB 3.51Å; I476-C520 HydrophobicContact CG1-CB 3.82Å; G516-C520 PolarHBondContact O-N 3.38Å; G516-C520 PolarHBondContact O-SG 2.76Å; V517-C520 PolarHBondContact O-N 3.48Å; A518-C520 PolarHBondContact O-N 2.98Å; C520-F522 VanDerWaalsContact C-N 3.34Å; C520-F522 PolarHBondContact O-N 2.88Å; C520-Q523 PolarHBondContact O-N 2.78Å; C520-E524 PolarHBondContact O-N 2.86Å |
| 521 | C | 89.1 | Confident | 81 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 173.1 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | L479 V517 A518 Q523 E524 V525 | L479-C521 HydrophobicContact CB-CB 4Å; L479-C521 HydrophobicContact CD1-CB 4.07Å; V517-C521 PolarHBondContact O-N 2.77Å; A518-C521 WeakPolarHBondContact O-CB 3.46Å; A518-C521 PolarHBondContact O-N 3.02Å; C521-Q523 VanDerWaalsContact C-N 3.32Å; C521-Q523 PolarHBondContact O-N 3.01Å; C521-E524 PolarHBondContact O-N 3.3Å; C521-V525 WeakPolarHBondContact O-CB 3.44Å; C521-V525 VanDerWaalsContact O-CG2 3.26Å; C521-V525 WeakPolarHBondContact O-CG2 3.38Å; C521-V525 PolarHBondContact O-N 2.98Å |
| 522 | F | 88.2 | Confident | 80.4 | Confident | 24 Ų | 24 | 40.4 Ų | 40.4 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54 | -49.4 | 173.9 | -177.7 | -89.7 | 0 | 0 | 0 | 111.6 | A518 A519 C520 V525 Q526 L538 I540 I598 | A518-F522 PolarHBondContact O-N 3.18Å; A519-F522 WeakPolarHBondContact O-CB 3.41Å; A519-F522 PolarHBondContact O-N 2.85Å; C520-F522 VanDerWaalsContact C-N 3.34Å; C520-F522 PolarHBondContact O-N 2.88Å; F522-V525 PolarHBondContact O-N 2.88Å; F522-Q526 WeakPolarHBondContact O-CB 3.27Å; F522-Q526 PolarHBondContact O-N 3.01Å; F522-L538 HydrophobicContact CD2-CD1 4Å; F522-L538 HydrophobicContact CD2-CD2 3.96Å; F522-L538 HydrophobicContact CD2-CG 3.78Å; F522-L538 HydrophobicContact CE1-CD2 4.43Å; F522-L538 HydrophobicContact CE2-CD1 4.18Å; F522-L538 HydrophobicContact CE2-CD2 3.79Å; F522-L538 HydrophobicContact CE2-CG 3.49Å; F522-L538 VanDerWaalsContact CE2-CG 3.49Å; F522-L538 HydrophobicContact CG-CD2 4.39Å; F522-L538 HydrophobicContact CZ-CD2 4.03Å; F522-L538 HydrophobicContact CZ-CG 4.13Å; F522-I540 HydrophobicContact CB-CD1 3.96Å; F522-I540 HydrophobicContact CD1-CG2 4.34Å; F522-I540 HydrophobicContact CD2-CB 3.55Å; F522-I540 HydrophobicContact CD2-CD1 4.1Å; F522-I540 HydrophobicContact CD2-CG1 4.42Å; F522-I540 HydrophobicContact CD2-CG2 3.62Å; F522-I540 HydrophobicContact CE1-CG2 4.11Å; F522-I540 HydrophobicContact CE2-CB 3.58Å; F522-I540 HydrophobicContact CE2-CG2 3.29Å; F522-I540 HydrophobicContact CG-CB 4.28Å; F522-I540 HydrophobicContact CG-CD1 4.08Å; F522-I540 HydrophobicContact CG-CG2 4.13Å; F522-I540 HydrophobicContact CZ-CB 4.38Å; F522-I540 HydrophobicContact CZ-CG2 3.59Å; F522-I598 HydrophobicContact CB-CD1 3.93Å; F522-I598 HydrophobicContact CD2-CD1 4.21Å |
| 523 | Q | 86.8 | Confident | 79.4 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 29% | 0.29 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -43.9 | -179.6 | -175.2 | 62.5 | 72.3 | 0 | 0 | 112.2 | I466 A519 C520 C521 Q526 N527 | I466-Q523 HydrophobicContact CD1-CB 4.02Å; I466-Q523 HydrophobicContact CD1-CG 4.49Å; I466-Q523 HydrophobicContact CG1-CB 4.49Å; A519-Q523 PolarHBondContact O-N 2.92Å; A519-Q523 VanDerWaalsContact O-N 3.17Å; C520-Q523 PolarHBondContact O-N 2.78Å; C521-Q523 VanDerWaalsContact C-N 3.32Å; C521-Q523 PolarHBondContact O-N 3.01Å; Q523-Q526 PolarHBondContact O-N 3.04Å; Q523-N527 PolarHBondContact NE2-OD1 2.9Å; Q523-N527 WeakPolarHBondContact O-CB 3.46Å; Q523-N527 PolarHBondContact O-N 2.87Å; Q523-N527 PolarHBondContact O-ND2 3.35Å; Q523-N527 PolarHBondContact O-OD1 3.39Å; Q523-N527 VanDerWaalsContact O-OD1 3.13Å |
| 524 | E | 86 | Confident | 78.2 | Confident | 80 Ų | 80 | 48.8 Ų | 48.8 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -72.5 | -34.4 | 179.5 | -71 | -53.1 | 147.2 | 0 | 0 | 113.3 | L480 C520 C521 Q526 N527 R528 | L480-E524 HydrophobicContact CD1-CB 4Å; L480-E524 HydrophobicContact CD2-CB 3.94Å; C520-E524 PolarHBondContact O-N 2.86Å; C521-E524 PolarHBondContact O-N 3.3Å; E524-Q526 VanDerWaalsContact C-N 3.34Å; E524-N527 WeakPolarHBondContact O-CB 3.49Å; E524-N527 PolarHBondContact O-N 2.91Å; E524-N527 PolarHBondContact OE1-ND2 2.93Å; E524-N527 VanDerWaalsContact OE1-ND2 3.13Å; E524-N527 PolarHBondContact OE2-ND2 3.25Å; E524-R528 WeakPolarHBondContact O-CG 3.37Å; E524-R528 PolarHBondContact O-N 2.85Å |
| 525 | V | 83.5 | Confident | 77.3 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.055 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 170 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | L480 V483 C521 F522 R528 L529 L538 I596 | L480-V525 HydrophobicContact CD2-CG2 3.75Å; V483-V525 HydrophobicContact CB-CG2 4.44Å; V483-V525 HydrophobicContact CG1-CG2 4.01Å; V483-V525 HydrophobicContact CG2-CG2 4.36Å; C521-V525 WeakPolarHBondContact O-CB 3.44Å; C521-V525 VanDerWaalsContact O-CG2 3.26Å; C521-V525 WeakPolarHBondContact O-CG2 3.38Å; C521-V525 PolarHBondContact O-N 2.98Å; F522-V525 PolarHBondContact O-N 2.88Å; V525-R528 PolarHBondContact O-N 3.22Å; V525-L529 HydrophobicContact CG1-CD1 3.69Å; V525-L529 HydrophobicContact CG1-CG 4.19Å; V525-L529 WeakPolarHBondContact O-CB 3.3Å; V525-L529 VanDerWaalsContact O-CG 3.27Å; V525-L529 WeakPolarHBondContact O-CG 3.41Å; V525-L529 PolarHBondContact O-N 3.22Å; V525-L538 HydrophobicContact CG1-CD1 3.87Å; V525-L538 HydrophobicContact CG1-CD2 4.13Å; V525-I596 HydrophobicContact CG1-CD1 3.75Å |
| 526 | Q | 81.9 | Confident | 76.6 | Confident | 75 Ų | 75 | 54.1 Ų | 54.1 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 174.3 | -168.7 | 178.9 | 8.3 | 0 | 0 | 112 | F522 Q523 E524 R528 L529 N530 L538 | F522-Q526 WeakPolarHBondContact O-CB 3.27Å; F522-Q526 PolarHBondContact O-N 3.01Å; Q523-Q526 PolarHBondContact O-N 3.04Å; E524-Q526 VanDerWaalsContact C-N 3.34Å; Q526-R528 VanDerWaalsContact C-N 3.34Å; Q526-R528 PolarHBondContact O-N 3.19Å; Q526-L529 PolarHBondContact O-N 3.19Å; Q526-N530 VanDerWaalsContact O-CG 3.25Å; Q526-N530 PolarHBondContact O-N 3.06Å; Q526-N530 VanDerWaalsContact O-N 3.14Å; Q526-N530 PolarHBondContact O-ND2 3.05Å; Q526-L538 HydrophobicContact CB-CD2 3.9Å |
| 527 | N | 81.9 | Confident | 76.3 | Confident | 70 Ų | 70 | 55.2 Ų | 55.2 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 175.6 | -66.1 | -16.1 | 0 | 0 | 0 | 111.6 | Q523 E524 | Q523-N527 PolarHBondContact NE2-OD1 2.9Å; Q523-N527 WeakPolarHBondContact O-CB 3.46Å; Q523-N527 PolarHBondContact O-N 2.87Å; Q523-N527 PolarHBondContact O-ND2 3.35Å; Q523-N527 PolarHBondContact O-OD1 3.39Å; Q523-N527 VanDerWaalsContact O-OD1 3.13Å; E524-N527 WeakPolarHBondContact O-CB 3.49Å; E524-N527 PolarHBondContact O-N 2.91Å; E524-N527 PolarHBondContact OE1-ND2 2.93Å; E524-N527 VanDerWaalsContact OE1-ND2 3.13Å; E524-N527 PolarHBondContact OE2-ND2 3.25Å |
| 528 | R | 77.4 | Confident | 75.9 | Confident | 119 Ų | 119 | 56.7 Ų | 56.7 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71 | -42.9 | 177.9 | -68.6 | 178.8 | -173.2 | -152.5 | 3.2 | 112.5 | E484 E524 V525 Q526 N530 A531 | E484-R528 WeakPolarHBondContact OE1-CD 3.22Å; E484-R528 IonicContact OE1-CZ 3.42Å; E484-R528 IonicContact OE1-NE 2.68Å; E484-R528 IonicContact OE1-NH1 3.48Å; E484-R528 PolarHBondContact OE1-NH1 3.26Å; E484-R528 IonicContact OE2-NH1 2.59Å; E484-R528 PolarHBondContact OE2-NH1 3.33Å; E524-R528 WeakPolarHBondContact O-CG 3.37Å; E524-R528 PolarHBondContact O-N 2.85Å; V525-R528 PolarHBondContact O-N 3.22Å; Q526-R528 VanDerWaalsContact C-N 3.34Å; Q526-R528 PolarHBondContact O-N 3.19Å; R528-N530 VanDerWaalsContact C-N 3.3Å; R528-N530 PolarHBondContact O-N 2.65Å; R528-A531 WeakPolarHBondContact O-CB 3.4Å; R528-A531 PolarHBondContact O-N 3.1Å |
| 529 | L | 69.5 | Low | 75.8 | Confident | 51 Ų | 51 | 58 Ų | 58 | 27% | 0.267 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.4 | -27.6 | -178.5 | -75.3 | 173.9 | 0 | 0 | 0 | 113.9 | V525 Q526 A531 N532 S533 C536 L538 | V525-L529 HydrophobicContact CG1-CD1 3.69Å; V525-L529 HydrophobicContact CG1-CG 4.19Å; V525-L529 WeakPolarHBondContact O-CB 3.3Å; V525-L529 VanDerWaalsContact O-CG 3.27Å; V525-L529 WeakPolarHBondContact O-CG 3.41Å; V525-L529 PolarHBondContact O-N 3.22Å; Q526-L529 PolarHBondContact O-N 3.19Å; L529-A531 PolarHBondContact O-N 2.94Å; L529-N532 CarbonylContact O-C 3.51Å; L529-N532 PolarHBondContact O-N 2.68Å; L529-N532 VanDerWaalsContact O-N 3.1Å; L529-S533 WeakPolarHBondContact O-CA 3.16Å; L529-S533 WeakPolarHBondContact O-CB 3.18Å; L529-S533 PolarHBondContact O-N 3.17Å; L529-C536 HydrophobicContact CD1-CB 3.85Å; L529-C536 HydrophobicContact CD2-CB 3.6Å; L529-C536 HydrophobicContact CG-CB 4.39Å; L529-L538 HydrophobicContact CD1-CB 4.42Å; L529-L538 HydrophobicContact CD1-CD2 4.4Å |
| 530 | N | 60.4 | Low | 75.8 | Confident | 112 Ų | 112 | 58.2 Ų | 58.2 | 60% | 0.599 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -10.1 | 175.5 | -78.8 | -25.8 | 0 | 0 | 0 | 114.2 | Q526 R528 | Q526-N530 VanDerWaalsContact O-CG 3.25Å; Q526-N530 PolarHBondContact O-N 3.06Å; Q526-N530 VanDerWaalsContact O-N 3.14Å; Q526-N530 PolarHBondContact O-ND2 3.05Å; R528-N530 VanDerWaalsContact C-N 3.3Å; R528-N530 PolarHBondContact O-N 2.65Å |
| 531 | A | 58.1 | Low | 75.7 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 65% | 0.645 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -27.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R528 L529 | R528-A531 WeakPolarHBondContact O-CB 3.4Å; R528-A531 PolarHBondContact O-N 3.1Å; L529-A531 PolarHBondContact O-N 2.94Å |
| 532 | N | 54.8 | Low | 75.5 | Confident | 142 Ų | 142 | 59.2 Ų | 59.2 | 76% | 0.759 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -156.6 | 67 | -177.4 | -81.2 | -56.1 | 0 | 0 | 0 | 111.2 | L529 T534 | L529-N532 CarbonylContact O-C 3.51Å; L529-N532 PolarHBondContact O-N 2.68Å; L529-N532 VanDerWaalsContact O-N 3.1Å; N532-T534 PolarHBondContact O-N 2.66Å; N532-T534 VanDerWaalsContact O-N 3.16Å |
| 533 | S | 53.8 | Low | 75.2 | Confident | 89 Ų | 89 | 59 Ų | 59 | 62% | 0.622 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 32.7 | -154.8 | 70.8 | 0 | 0 | 0 | 0 | 117.7 | L529 | L529-S533 WeakPolarHBondContact O-CA 3.16Å; L529-S533 WeakPolarHBondContact O-CB 3.18Å; L529-S533 PolarHBondContact O-N 3.17Å |
| 534 | T | 59.1 | Low | 74.4 | Confident | 101 Ų | 101 | 58.7 Ų | 58.7 | 62% | 0.62 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -24.9 | 178 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | N532 K593 | N532-T534 PolarHBondContact O-N 2.66Å; N532-T534 VanDerWaalsContact O-N 3.16Å; T534-K593 WeakPolarHBondContact O-CE 3.4Å |
| 535 | D | 66.5 | Low | 73.4 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -109.6 | 15.4 | -157.5 | -62.9 | 7.2 | 0 | 0 | 0 | 113.3 | S592 K593 S594 | D535-S592 WeakPolarHBondContact CA-O 3.37Å; D535-S592 WeakPolarHBondContact CB-O 3.35Å; D535-K593 WeakPolarHBondContact O-CA 3.31Å; D535-S594 PolarHBondContact O-N 3.2Å; D535-S594 PolarHBondContact O-OG 2.65Å |
| 536 | C | 73 | Confident | 72.7 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 143.5 | 178.7 | -163.5 | 0 | 0 | 0 | 0 | 112.6 | L529 S594 | L529-C536 HydrophobicContact CD1-CB 3.85Å; L529-C536 HydrophobicContact CD2-CB 3.6Å; L529-C536 HydrophobicContact CG-CB 4.39Å; C536-S594 CarbonylContact C-O 3.35Å; C536-S594 WeakPolarHBondContact CA-O 3.36Å; C536-S594 WeakPolarHBondContact CA-OG 3.25Å; C536-S594 WeakPolarHBondContact CB-OG 3.23Å; C536-S594 PolarHBondContact SG-OG 3.48Å |
| 537 | L | 79.1 | Confident | 72.2 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.9 | 168.4 | 174.6 | 61.5 | 0 | 0 | 0 | 108.6 | L539 V563 L564 S594 I595 I596 | L537-L539 HydrophobicContact CD1-CD2 4.37Å; L537-L539 HydrophobicContact CD1-CG 4.29Å; L537-L539 HydrophobicContact CD2-CD1 4.26Å; L537-L539 HydrophobicContact CG-CD1 4.25Å; L537-L539 HydrophobicContact CG-CG 4.25Å; L537-V563 HydrophobicContact CD1-CG1 3.77Å; L537-L564 HydrophobicContact CD2-CD2 4.39Å; L537-S594 PolarHBondContact N-O 3.29Å; L537-I595 HydrophobicContact CB-CG1 4.34Å; L537-I595 HydrophobicContact CB-CG2 4.23Å; L537-I595 HydrophobicContact CD2-CG2 4.07Å; L537-I595 HydrophobicContact CG-CG2 4.21Å; L537-I595 CarbonylContact O-C 3Å; L537-I595 WeakPolarHBondContact O-CA 3.45Å; L537-I596 PolarHBondContact O-N 3.19Å |
| 538 | L | 81 | Confident | 72 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.1 | -177 | -178 | 67.3 | 0 | 0 | 0 | 109.6 | F522 V525 Q526 L529 I596 | F522-L538 HydrophobicContact CD2-CD1 4Å; F522-L538 HydrophobicContact CD2-CD2 3.96Å; F522-L538 HydrophobicContact CD2-CG 3.78Å; F522-L538 HydrophobicContact CE1-CD2 4.43Å; F522-L538 HydrophobicContact CE2-CD1 4.18Å; F522-L538 HydrophobicContact CE2-CD2 3.79Å; F522-L538 HydrophobicContact CE2-CG 3.49Å; F522-L538 VanDerWaalsContact CE2-CG 3.49Å; F522-L538 HydrophobicContact CG-CD2 4.39Å; F522-L538 HydrophobicContact CZ-CD2 4.03Å; F522-L538 HydrophobicContact CZ-CG 4.13Å; V525-L538 HydrophobicContact CG1-CD1 3.87Å; V525-L538 HydrophobicContact CG1-CD2 4.13Å; Q526-L538 HydrophobicContact CB-CD2 3.9Å; L529-L538 HydrophobicContact CD1-CB 4.42Å; L529-L538 HydrophobicContact CD1-CD2 4.4Å; L538-I596 HydrophobicContact CD1-CB 3.72Å; L538-I596 HydrophobicContact CD1-CD1 4.31Å; L538-I596 HydrophobicContact CD1-CG2 3.65Å |
| 539 | L | 85.7 | Confident | 72.2 | Confident | 26 Ų | 26 | 54.5 Ų | 54.5 | 14% | 0.136 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.4 | -175.8 | -66.9 | 171.3 | 0 | 0 | 0 | 111.4 | L537 I560 I596 I598 | L537-L539 HydrophobicContact CD1-CD2 4.37Å; L537-L539 HydrophobicContact CD1-CG 4.29Å; L537-L539 HydrophobicContact CD2-CD1 4.26Å; L537-L539 HydrophobicContact CG-CD1 4.25Å; L537-L539 HydrophobicContact CG-CG 4.25Å; L539-I560 HydrophobicContact CD1-CD1 3.63Å; L539-I560 HydrophobicContact CD1-CG1 3.58Å; L539-I596 PolarHBondContact N-O 2.59Å; L539-I598 PolarHBondContact O-N 2.89Å |
| 540 | I | 87.5 | Confident | 72.9 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 132.3 | 173.6 | -171.4 | 159.7 | 0 | 0 | 0 | 111.4 | L459 V462 A519 F522 I542 I598 | L459-I540 HydrophobicContact CD2-CG2 4.19Å; V462-I540 HydrophobicContact CG1-CD1 4.05Å; V462-I540 HydrophobicContact CG1-CG2 4.38Å; V462-I540 HydrophobicContact CG2-CD1 3.75Å; V462-I540 HydrophobicContact CG2-CG1 3.85Å; V462-I540 HydrophobicContact CG2-CG2 3.94Å; A519-I540 HydrophobicContact CB-CD1 4.49Å; F522-I540 HydrophobicContact CB-CD1 3.96Å; F522-I540 HydrophobicContact CD1-CG2 4.34Å; F522-I540 HydrophobicContact CD2-CB 3.55Å; F522-I540 HydrophobicContact CD2-CD1 4.1Å; F522-I540 HydrophobicContact CD2-CG1 4.42Å; F522-I540 HydrophobicContact CD2-CG2 3.62Å; F522-I540 HydrophobicContact CE1-CG2 4.11Å; F522-I540 HydrophobicContact CE2-CB 3.58Å; F522-I540 HydrophobicContact CE2-CG2 3.29Å; F522-I540 HydrophobicContact CG-CB 4.28Å; F522-I540 HydrophobicContact CG-CD1 4.08Å; F522-I540 HydrophobicContact CG-CG2 4.13Å; F522-I540 HydrophobicContact CZ-CB 4.38Å; F522-I540 HydrophobicContact CZ-CG2 3.59Å; I540-I542 HydrophobicContact CD1-CD1 4.27Å; I540-I542 HydrophobicContact CD1-CG1 4.44Å; I540-I542 HydrophobicContact CG1-CG1 4.18Å; I540-I598 WeakPolarHBondContact CA-O 3.46Å; I540-I598 HydrophobicContact CB-CB 4.26Å; I540-I598 HydrophobicContact CD1-CB 4.18Å; I540-I598 HydrophobicContact CD1-CG2 3.9Å; I540-I598 HydrophobicContact CG1-CB 4Å; I540-I598 HydrophobicContact CG1-CG2 4.05Å |
| 541 | R | 86.6 | Confident | 73.8 | Confident | 20 Ų | 20 | 51.1 Ų | 51.1 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.4 | 165.9 | -72 | -71.8 | 153.4 | -114.4 | 3.2 | 108.5 | Y543 L556 Q559 I598 I599 G600 | R541-Y543 HydrophobicContact CB-CE2 3.65Å; R541-L556 HydrophobicContact CG-CD2 3.68Å; R541-L556 HydrophobicContact CG-CG 4.18Å; R541-Q559 VanDerWaalsContact NE-OE1 3.09Å; R541-I598 PolarHBondContact N-O 2.94Å; R541-I599 WeakPolarHBondContact O-CA 3.46Å; R541-G600 PolarHBondContact O-N 2.83Å |
| 542 | I | 83.9 | Confident | 74.9 | Confident | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.8 | 171.5 | -54.6 | -176.7 | 0 | 0 | 0 | 107.2 | S458 Y461 V462 L465 I540 G600 | S458-I542 PolarHBondContact OG-N 3.12Å; S458-I542 PolarHBondContact OG-O 3.38Å; Y461-I542 HydrophobicContact CD1-CB 4.11Å; Y461-I542 HydrophobicContact CD1-CG2 3.72Å; Y461-I542 HydrophobicContact CE1-CG2 3.72Å; V462-I542 HydrophobicContact CG2-CD1 3.63Å; V462-I542 HydrophobicContact CG2-CG1 3.97Å; L465-I542 HydrophobicContact CD1-CD1 3.44Å; L465-I542 VanDerWaalsContact CD1-CD1 3.44Å; I540-I542 HydrophobicContact CD1-CD1 4.27Å; I540-I542 HydrophobicContact CD1-CG1 4.44Å; I540-I542 HydrophobicContact CG1-CG1 4.18Å; I542-G600 WeakPolarHBondContact CA-O 3.33Å |
| 543 | Y | 81.5 | Confident | 76.4 | Confident | 21 Ų | 21 | 41 Ų | 41 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | trans | -92.8 | 140.6 | 179 | -60.3 | -90.2 | 0 | 0 | 0 | 109.2 | R541 T547 A552 I599 G600 H604 L605 | R541-Y543 HydrophobicContact CB-CE2 3.65Å; Y543-T547 HydrophobicContact CD1-CG2 4.02Å; Y543-T547 HydrophobicContact CE1-CG2 4.14Å; Y543-A552 HydrophobicContact CD1-CB 4.45Å; Y543-A552 HydrophobicContact CE1-CB 3.62Å; Y543-A552 HydrophobicContact CE2-CB 4.26Å; Y543-A552 WeakPolarHBondContact OH-CB 3.35Å; Y543-A552 PolarHBondContact OH-O 2.7Å; Y543-I599 HydrophobicContact CD2-CG2 4.41Å; Y543-I599 HydrophobicContact CE2-CG2 4.24Å; Y543-G600 PolarHBondContact N-O 3.16Å; Y543-H604 PolarHBondContact O-CD2 2.79Å; Y543-L605 HydrophobicContact CD1-CD2 4.18Å; Y543-L605 HydrophobicContact CD2-CD1 4.19Å; Y543-L605 HydrophobicContact CD2-CD2 3.85Å; Y543-L605 HydrophobicContact CD2-CG 4.24Å; Y543-L605 HydrophobicContact CE1-CD2 4.49Å; Y543-L605 HydrophobicContact CE2-CD1 4.49Å; Y543-L605 HydrophobicContact CE2-CD2 4.19Å; Y543-L605 HydrophobicContact CG-CD2 3.88Å; Y543-L605 HydrophobicContact CG-CG 4.47Å | ||
| 544 | T | 71.2 | Confident | 77.9 | Confident | 54 Ų | 54 | 39.8 Ų | 39.8 | 33% | 0.331 | 22% | 0.223 | S | C | . | . | trans | -130.9 | -7.5 | -176.1 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | Y461 | Y461-T544 HydrophobicContact CD1-CG2 3.75Å; Y461-T544 HydrophobicContact CE1-CG2 3.39Å; Y461-T544 HydrophobicContact CE2-CG2 4.35Å; Y461-T544 HydrophobicContact CG-CG2 4.36Å | ||
| 545 | N | 65.5 | Low | 78.9 | Confident | 80 Ų | 80 | 36.8 Ų | 36.8 | 43% | 0.428 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -124.1 | 150.9 | 173.5 | -64.9 | -9.7 | 0 | 0 | 0 | 107.7 | T547 | N545-T547 PolarHBondContact O-N 3.01Å; N545-T547 VanDerWaalsContact O-N 3.09Å; N545-T547 PolarHBondContact O-OG1 2.76Å |
| 546 | P | 68.1 | Low | 79.7 | Confident | 83 Ų | 83 | 32.7 Ų | 32.7 | 54% | 0.539 | 18% | 0.181 | S | C | . | . | trans | -48.7 | 118.4 | 169.3 | -27.2 | 35.7 | 0 | 0 | 0 | 111 | H604 | P546-H604 WeakPolarHBondContact CA-O 3.49Š| ||
| 547 | T | 71.9 | Confident | 80.3 | Confident | 35 Ų | 35 | 31.4 Ų | 31.4 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 129.3 | -176.3 | -50.5 | 0 | 0 | 0 | 0 | 108 | Y543 N545 I549 A552 H604 L605 E606 | Y543-T547 HydrophobicContact CD1-CG2 4.02Å; Y543-T547 HydrophobicContact CE1-CG2 4.14Å; N545-T547 PolarHBondContact O-N 3.01Å; N545-T547 VanDerWaalsContact O-N 3.09Å; N545-T547 PolarHBondContact O-OG1 2.76Å; T547-I549 PolarHBondContact O-N 3.24Å; T547-A552 HydrophobicContact CG2-CB 4.17Å; T547-H604 PolarHBondContact N-O 3.3Å; T547-L605 WeakPolarHBondContact O-CA 3.48Å; T547-E606 PolarHBondContact O-N 3.11Å |
| 548 | L | 78.1 | Confident | 80.2 | Confident | 61 Ų | 61 | 33.2 Ų | 33.2 | 32% | 0.319 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 134.3 | 172.6 | -68.4 | 172.3 | 0 | 0 | 0 | 109.4 | T550 D551 A552 E606 | L548-T550 WeakPolarHBondContact CB-OG1 3.23Å; L548-T550 PolarHBondContact O-N 3.4Å; L548-T550 VanDerWaalsContact O-N 3.07Å; L548-D551 PolarHBondContact O-N 2.74Å; L548-A552 PolarHBondContact O-N 2.87Å; L548-E606 HydrophobicContact CD2-CB 4.25Å |
| 549 | I | 81.6 | Confident | 80.1 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.7 | -26.1 | 177.8 | -164.6 | 163.6 | 0 | 0 | 0 | 112.2 | T547 L553 T574 E606 V607 I620 | T547-I549 PolarHBondContact O-N 3.24Å; I549-L553 HydrophobicContact CG1-CD1 4.13Å; I549-L553 HydrophobicContact CG1-CG 4.39Å; I549-L553 VanDerWaalsContact O-CB 3.3Å; I549-L553 WeakPolarHBondContact O-CB 3.19Å; I549-L553 WeakPolarHBondContact O-CD1 3.18Å; I549-L553 WeakPolarHBondContact O-CG 3.23Å; I549-L553 PolarHBondContact O-N 2.83Å; I549-T574 WeakPolarHBondContact CG2-O 3.3Å; I549-E606 PolarHBondContact N-O 3.4Å; I549-V607 HydrophobicContact CB-CG2 4.49Å; I549-V607 HydrophobicContact CG2-CG2 3.94Å; I549-I620 HydrophobicContact CD1-CB 4.38Å; I549-I620 HydrophobicContact CD1-CD1 3.78Å; I549-I620 HydrophobicContact CD1-CG1 3.89Å |
| 550 | T | 82.7 | Confident | 79.8 | Confident | 13 Ų | 13 | 31.4 Ų | 31.4 | 8% | 0.08 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -48.9 | 175.1 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | D398 L548 L553 L554 | D398-T550 HydrophobicContact CB-CG2 4.38Å; D398-T550 WeakPolarHBondContact OD2-CG2 3.14Å; L548-T550 WeakPolarHBondContact CB-OG1 3.23Å; L548-T550 PolarHBondContact O-N 3.4Å; L548-T550 VanDerWaalsContact O-N 3.07Å; T550-L553 PolarHBondContact O-N 2.98Å; T550-L554 WeakPolarHBondContact O-CG 3.42Å; T550-L554 PolarHBondContact O-N 3.49Å |
| 551 | D | 79.7 | Confident | 79.3 | Confident | 80 Ų | 80 | 31.8 Ų | 31.8 | 43% | 0.428 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -81 | -37.8 | -172.7 | -54.6 | -9.2 | 0 | 0 | 0 | 109.5 | L548 L553 L554 D555 | L548-D551 PolarHBondContact O-N 2.74Å; D551-L553 VanDerWaalsContact C-N 3.26Å; D551-L553 PolarHBondContact O-N 2.99Å; D551-L554 PolarHBondContact O-N 2.98Å; D551-L554 VanDerWaalsContact O-N 3.16Å; D551-D555 PolarHBondContact O-N 2.94Å |
| 552 | A | 82.3 | Confident | 78.7 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.2 | -39.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y543 T547 L548 L556 L605 | Y543-A552 HydrophobicContact CD1-CB 4.45Å; Y543-A552 HydrophobicContact CE1-CB 3.62Å; Y543-A552 HydrophobicContact CE2-CB 4.26Å; Y543-A552 WeakPolarHBondContact OH-CB 3.35Å; Y543-A552 PolarHBondContact OH-O 2.7Å; T547-A552 HydrophobicContact CG2-CB 4.17Å; L548-A552 PolarHBondContact O-N 2.87Å; A552-L556 WeakPolarHBondContact O-CG 3.35Å; A552-L556 PolarHBondContact O-N 3.44Å; A552-L605 HydrophobicContact CB-CD2 3.73Å |
| 553 | L | 86.2 | Confident | 78.1 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.1 | -30.7 | 175.6 | -70.5 | 172.9 | 0 | 0 | 0 | 112.7 | I549 T550 D551 L556 A557 T573 L576 F579 | I549-L553 HydrophobicContact CG1-CD1 4.13Å; I549-L553 HydrophobicContact CG1-CG 4.39Å; I549-L553 VanDerWaalsContact O-CB 3.3Å; I549-L553 WeakPolarHBondContact O-CB 3.19Å; I549-L553 WeakPolarHBondContact O-CD1 3.18Å; I549-L553 WeakPolarHBondContact O-CG 3.23Å; I549-L553 PolarHBondContact O-N 2.83Å; T550-L553 PolarHBondContact O-N 2.98Å; D551-L553 VanDerWaalsContact C-N 3.26Å; D551-L553 PolarHBondContact O-N 2.99Å; L553-L556 HydrophobicContact CD2-CD1 4.44Å; L553-L556 PolarHBondContact O-N 2.95Å; L553-A557 VanDerWaalsContact O-CB 3.22Å; L553-A557 WeakPolarHBondContact O-CB 3.34Å; L553-A557 PolarHBondContact O-N 3.48Å; L553-T573 HydrophobicContact CB-CG2 4.16Å; L553-T573 WeakPolarHBondContact O-CG2 3.46Å; L553-L576 HydrophobicContact CD2-CD1 4.21Å; L553-F579 HydrophobicContact CD1-CB 4.31Å; L553-F579 HydrophobicContact CD2-CB 3.98Å; L553-F579 HydrophobicContact CD2-CD1 3.73Å; L553-F579 HydrophobicContact CD2-CD2 4.1Å; L553-F579 HydrophobicContact CD2-CE1 4.17Å; L553-F579 HydrophobicContact CD2-CE2 4.49Å; L553-F579 HydrophobicContact CD2-CG 3.68Å |
| 554 | L | 84 | Confident | 77.7 | Confident | 64 Ų | 64 | 38.5 Ų | 38.5 | 34% | 0.335 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.6 | -46.8 | 171.3 | -79.1 | 164.5 | 0 | 0 | 0 | 112.2 | T550 D551 L556 A557 E558 T573 | T550-L554 WeakPolarHBondContact O-CG 3.42Å; T550-L554 PolarHBondContact O-N 3.49Å; D551-L554 PolarHBondContact O-N 2.98Å; D551-L554 VanDerWaalsContact O-N 3.16Å; L554-L556 VanDerWaalsContact C-N 3.3Å; L554-L556 PolarHBondContact O-N 2.94Å; L554-A557 PolarHBondContact O-N 3.21Å; L554-A557 VanDerWaalsContact O-N 3.1Å; L554-E558 PolarHBondContact O-N 2.83Å; L554-T573 HydrophobicContact CD2-CG2 3.96Å; L554-T573 WeakPolarHBondContact CD2-OG1 3.47Å; L554-T573 HydrophobicContact CG-CG2 4.12Å; L554-T573 WeakPolarHBondContact CG-OG1 3.13Å |
| 555 | D | 80.6 | Confident | 77.6 | Confident | 37 Ų | 37 | 44.7 Ų | 44.7 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.7 | -46.8 | 174 | -88.8 | 10 | 0 | 0 | 0 | 110.8 | L451 D551 Q559 | L451-D555 WeakPolarHBondContact CD1-OD1 3.03Å; D551-D555 PolarHBondContact O-N 2.94Å; D555-Q559 VanDerWaalsContact C-NE2 3.3Å; D555-Q559 WeakPolarHBondContact O-CG 3.13Å; D555-Q559 PolarHBondContact O-N 3.3Å; D555-Q559 PolarHBondContact O-NE2 3.31Å |
| 556 | L | 83.6 | Confident | 77.9 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.6 | -37.1 | 175.9 | -78.8 | 169.7 | 0 | 0 | 0 | 112.7 | R541 A552 L553 L554 I560 F579 | R541-L556 HydrophobicContact CG-CD2 3.68Å; R541-L556 HydrophobicContact CG-CG 4.18Å; A552-L556 WeakPolarHBondContact O-CG 3.35Å; A552-L556 PolarHBondContact O-N 3.44Å; L553-L556 HydrophobicContact CD2-CD1 4.44Å; L553-L556 PolarHBondContact O-N 2.95Å; L554-L556 VanDerWaalsContact C-N 3.3Å; L554-L556 PolarHBondContact O-N 2.94Å; L556-I560 WeakPolarHBondContact O-CB 3.45Å; L556-I560 WeakPolarHBondContact O-CG1 3.14Å; L556-I560 PolarHBondContact O-N 3.04Å; L556-F579 HydrophobicContact CB-CE2 4.46Å; L556-F579 HydrophobicContact CB-CZ 3.92Å |
| 557 | A | 84.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L553 L554 Q559 I560 S561 I568 L571 T573 F579 | L553-A557 VanDerWaalsContact O-CB 3.22Å; L553-A557 WeakPolarHBondContact O-CB 3.34Å; L553-A557 PolarHBondContact O-N 3.48Å; L554-A557 PolarHBondContact O-N 3.21Å; L554-A557 VanDerWaalsContact O-N 3.1Å; A557-Q559 VanDerWaalsContact C-N 3.33Å; A557-Q559 PolarHBondContact O-N 2.82Å; A557-I560 PolarHBondContact O-N 2.86Å; A557-S561 WeakPolarHBondContact O-CB 3.21Å; A557-S561 PolarHBondContact O-N 3.17Å; A557-S561 PolarHBondContact O-OG 3Å; A557-I568 HydrophobicContact CB-CD1 4.39Å; A557-I568 HydrophobicContact CB-CG1 4Å; A557-L571 HydrophobicContact CB-CB 3.85Å; A557-L571 HydrophobicContact CB-CD1 4.43Å; A557-T573 HydrophobicContact CB-CG2 3.64Å; A557-F579 HydrophobicContact CB-CE2 4.2Å |
| 558 | E | 78.1 | Confident | 78.1 | Confident | 60 Ų | 60 | 44.8 Ų | 44.8 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 177.1 | -168.8 | 167.3 | 169.5 | 0 | 0 | 110.3 | L451 L554 S561 V562 I568 | L451-E558 HydrophobicContact CD2-CB 4.37Å; L451-E558 HydrophobicContact CD2-CG 4.03Å; L554-E558 PolarHBondContact O-N 2.83Å; E558-S561 PolarHBondContact O-N 2.84Å; E558-S561 PolarHBondContact O-OG 2.86Å; E558-V562 WeakPolarHBondContact O-CG2 3.13Å; E558-V562 PolarHBondContact O-N 3.42Å; E558-I568 HydrophobicContact CB-CD1 3.77Å; E558-I568 HydrophobicContact CG-CD1 4.32Å |
| 559 | Q | 77.9 | Confident | 77.8 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.2 | -48.9 | 176 | -68.8 | 160.7 | 52.8 | 0 | 0 | 112.8 | V455 R541 D555 A557 S561 V562 V563 | V455-Q559 HydrophobicContact CG2-CG 4.17Å; R541-Q559 VanDerWaalsContact NE-OE1 3.09Å; D555-Q559 VanDerWaalsContact C-NE2 3.3Å; D555-Q559 WeakPolarHBondContact O-CG 3.13Å; D555-Q559 PolarHBondContact O-N 3.3Å; D555-Q559 PolarHBondContact O-NE2 3.31Å; A557-Q559 VanDerWaalsContact C-N 3.33Å; A557-Q559 PolarHBondContact O-N 2.82Å; Q559-S561 VanDerWaalsContact C-N 3.32Å; Q559-S561 PolarHBondContact O-N 2.88Å; Q559-V562 PolarHBondContact O-N 3.46Å; Q559-V563 WeakPolarHBondContact O-CG2 3.38Å; Q559-V563 PolarHBondContact O-N 3.33Å; Q559-V563 VanDerWaalsContact O-N 3.07Å |
| 560 | I | 79.1 | Confident | 77.7 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68 | -34.5 | 178.7 | -67.7 | 171.9 | 0 | 0 | 0 | 110.8 | L539 L556 A557 V562 V563 L564 L571 F579 L583 | L539-I560 HydrophobicContact CD1-CD1 3.63Å; L539-I560 HydrophobicContact CD1-CG1 3.58Å; L556-I560 WeakPolarHBondContact O-CB 3.45Å; L556-I560 WeakPolarHBondContact O-CG1 3.14Å; L556-I560 PolarHBondContact O-N 3.04Å; A557-I560 PolarHBondContact O-N 2.86Å; I560-V562 VanDerWaalsContact C-N 3.34Å; I560-V562 PolarHBondContact O-N 2.9Å; I560-V563 PolarHBondContact O-N 2.76Å; I560-L564 HydrophobicContact CG2-CD1 3.5Å; I560-L564 HydrophobicContact CG2-CG 3.83Å; I560-L564 WeakPolarHBondContact O-CB 3.3Å; I560-L564 PolarHBondContact O-N 2.8Å; I560-L571 HydrophobicContact CB-CD1 3.75Å; I560-L571 HydrophobicContact CG2-CD1 3.59Å; I560-F579 HydrophobicContact CD1-CE1 4.36Å; I560-F579 HydrophobicContact CD1-CZ 3.72Å; I560-L583 HydrophobicContact CD1-CD1 4.19Å; I560-L583 HydrophobicContact CG2-CD1 3.91Å |
| 561 | S | 77.9 | Confident | 77.6 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 11% | 0.105 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 176.4 | 81.2 | 0 | 0 | 0 | 0 | 111.8 | A557 E558 Q559 Q565 T566 | A557-S561 WeakPolarHBondContact O-CB 3.21Å; A557-S561 PolarHBondContact O-N 3.17Å; A557-S561 PolarHBondContact O-OG 3Å; E558-S561 PolarHBondContact O-N 2.84Å; E558-S561 PolarHBondContact O-OG 2.86Å; Q559-S561 VanDerWaalsContact C-N 3.32Å; Q559-S561 PolarHBondContact O-N 2.88Å; S561-Q565 VanDerWaalsContact O-CA 3.31Å; S561-Q565 WeakPolarHBondContact O-CA 3.44Å; S561-Q565 PolarHBondContact O-N 3.07Å; S561-T566 WeakPolarHBondContact CB-O 3.49Å; S561-T566 PolarHBondContact O-N 2.76Å |
| 562 | V | 73.4 | Confident | 77.7 | Confident | 85 Ų | 85 | 43.4 Ų | 43.4 | 52% | 0.515 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66 | -41.2 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | E558 Q559 I560 | E558-V562 WeakPolarHBondContact O-CG2 3.13Å; E558-V562 PolarHBondContact O-N 3.42Å; Q559-V562 PolarHBondContact O-N 3.46Å; I560-V562 VanDerWaalsContact C-N 3.34Å; I560-V562 PolarHBondContact O-N 2.9Å |
| 563 | V | 72.7 | Confident | 77.8 | Confident | 78 Ų | 78 | 43.2 Ų | 43.2 | 47% | 0.473 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -78.5 | -33.3 | -176.1 | 173.6 | 0 | 0 | 0 | 0 | 113.3 | L537 Q559 I560 | L537-V563 HydrophobicContact CD1-CG1 3.77Å; Q559-V563 WeakPolarHBondContact O-CG2 3.38Å; Q559-V563 PolarHBondContact O-N 3.33Å; Q559-V563 VanDerWaalsContact O-N 3.07Å; I560-V563 PolarHBondContact O-N 2.76Å |
| 564 | L | 72.4 | Confident | 77.5 | Confident | 26 Ų | 26 | 44 Ų | 44 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -89.7 | -8.3 | 175.5 | -62.7 | -174.7 | 0 | 0 | 0 | 113.4 | L537 I560 T566 L583 L586 | L537-L564 HydrophobicContact CD2-CD2 4.39Å; I560-L564 HydrophobicContact CG2-CD1 3.5Å; I560-L564 HydrophobicContact CG2-CG 3.83Å; I560-L564 WeakPolarHBondContact O-CB 3.3Å; I560-L564 PolarHBondContact O-N 2.8Å; L564-T566 VanDerWaalsContact C-N 3.31Å; L564-T566 HydrophobicContact CB-CG2 3.89Å; L564-L583 HydrophobicContact CD1-CD1 4.45Å; L564-L586 HydrophobicContact CD1-CB 4.46Å; L564-L586 HydrophobicContact CD1-CD1 4.19Å |
| 565 | Q | 69.8 | Low | 77.2 | Confident | 184 Ų | 184 | 42.4 Ų | 42.4 | 86% | 0.86 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 43.1 | -172.6 | -57.1 | -176.5 | -10.4 | 0 | 0 | 112.4 | S561 | S561-Q565 VanDerWaalsContact O-CA 3.31Å; S561-Q565 WeakPolarHBondContact O-CA 3.44Å; S561-Q565 PolarHBondContact O-N 3.07Å |
| 566 | T | 70.6 | Confident | 77.5 | Confident | 26 Ų | 26 | 40.7 Ų | 40.7 | 16% | 0.16 | 23% | 0.229 | C | C | . | . | trans | -110.5 | 158.9 | 178.7 | 56.8 | 0 | 0 | 0 | 0 | 110.7 | S561 L564 L586 | S561-T566 WeakPolarHBondContact CB-O 3.49Å; S561-T566 PolarHBondContact O-N 2.76Å; L564-T566 VanDerWaalsContact C-N 3.31Å; L564-T566 HydrophobicContact CB-CG2 3.89Å; T566-L586 HydrophobicContact CG2-CD1 4.44Å; T566-L586 HydrophobicContact CG2-CD2 3.79Å | ||
| 567 | D | 68.8 | Low | 77.5 | Confident | 111 Ų | 111 | 41.5 Ų | 41.5 | 59% | 0.594 | 24% | 0.236 | S | C | * | . | trans | -66.1 | 139 | 167.5 | -165.6 | -32.1 | 0 | 0 | 0 | 109.5 | G569 I570 | D567-G569 PolarHBondContact O-N 3.21Å; D567-G569 PolarHBondContact OD1-N 2.83Å; D567-I570 HydrophobicContact CB-CD1 4.09Å; D567-I570 HydrophobicContact CB-CG1 4.21Å; D567-I570 WeakPolarHBondContact O-CB 3.42Å; D567-I570 PolarHBondContact O-N 2.77Å; D567-I570 VanDerWaalsContact O-N 3.12Å | ||
| 568 | I | 75.1 | Confident | 77.5 | Confident | 63 Ų | 63 | 42.7 Ų | 42.7 | 32% | 0.323 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -60 | -31.3 | 175.4 | -165.1 | 174.9 | 0 | 0 | 0 | 110.9 | A557 E558 I570 L571 | A557-I568 HydrophobicContact CB-CD1 4.39Å; A557-I568 HydrophobicContact CB-CG1 4Å; E558-I568 HydrophobicContact CB-CD1 3.77Å; E558-I568 HydrophobicContact CG-CD1 4.32Å; I568-I570 PolarHBondContact O-N 2.81Å; I568-L571 CarbonylContact O-C 3.12Å; I568-L571 WeakPolarHBondContact O-CA 3.21Å; I568-L571 PolarHBondContact O-N 3.47Å |
| 569 | G | 72.8 | Confident | 78 | Confident | 51 Ų | 51 | 39.8 Ų | 39.8 | 53% | 0.526 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -65.6 | -2.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D567 | D567-G569 PolarHBondContact O-N 3.21Å; D567-G569 PolarHBondContact OD1-N 2.83Å |
| 570 | I | 79.2 | Confident | 78.5 | Confident | 66 Ų | 66 | 39.2 Ų | 39.2 | 34% | 0.338 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -90.4 | -16.5 | 170.5 | -56.2 | 168.9 | 0 | 0 | 0 | 111 | L395 D567 I568 L586 | L395-I570 WeakPolarHBondContact CD2-O 3.41Å; D567-I570 HydrophobicContact CB-CD1 4.09Å; D567-I570 HydrophobicContact CB-CG1 4.21Å; D567-I570 WeakPolarHBondContact O-CB 3.42Å; D567-I570 PolarHBondContact O-N 2.77Å; D567-I570 VanDerWaalsContact O-N 3.12Å; I568-I570 PolarHBondContact O-N 2.81Å; I570-L586 HydrophobicContact CG2-CD1 4.05Å; I570-L586 HydrophobicContact CG2-CD2 3.81Å; I570-L586 HydrophobicContact CG2-CG 3.96Å |
| 571 | L | 79.8 | Confident | 78.8 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -112.3 | 82.6 | 175.8 | -68.4 | 165.8 | 0 | 0 | 0 | 108.7 | A557 I560 I568 T573 F579 L583 L586 | A557-L571 HydrophobicContact CB-CB 3.85Å; A557-L571 HydrophobicContact CB-CD1 4.43Å; I560-L571 HydrophobicContact CB-CD1 3.75Å; I560-L571 HydrophobicContact CG2-CD1 3.59Å; I568-L571 CarbonylContact O-C 3.12Å; I568-L571 WeakPolarHBondContact O-CA 3.21Å; I568-L571 PolarHBondContact O-N 3.47Å; L571-T573 VanDerWaalsContact O-CG2 3.3Å; L571-T573 WeakPolarHBondContact O-CG2 3.35Å; L571-F579 HydrophobicContact CD2-CE2 4.39Å; L571-L583 HydrophobicContact CD2-CB 4.36Å; L571-L583 HydrophobicContact CD2-CD1 4.19Å; L571-L586 HydrophobicContact CD1-CD1 4.44Å; L571-L586 HydrophobicContact CD2-CD1 3.75Å; L571-L586 HydrophobicContact CG-CD1 3.95Å |
| 572 | E | 83.6 | Confident | 79.2 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | trans | -67 | 164 | 168.6 | -88.5 | -179.1 | -132 | 0 | 0 | 111.9 | L392 L395 P396 M397 | L392-E572 VanDerWaalsContact CD1-OE1 3.26Å; L392-E572 WeakPolarHBondContact CD1-OE1 3.25Å; L395-E572 VanDerWaalsContact C-OE2 3.22Å; L395-E572 HydrophobicContact CB-CB 4.04Å; L395-E572 HydrophobicContact CB-CG 4.24Å; L395-E572 WeakPolarHBondContact CB-OE2 3.34Å; L395-E572 HydrophobicContact CD2-CB 3.7Å; L395-E572 HydrophobicContact CD2-CG 3.91Å; P396-E572 WeakPolarHBondContact CA-OE2 2.88Å; P396-E572 HydrophobicContact CB-CB 4.34Å; P396-E572 VanDerWaalsContact CD-O 3.29Å; P396-E572 WeakPolarHBondContact CD-O 3.25Å; P396-E572 VanDerWaalsContact CG-C 3.43Å; P396-E572 HydrophobicContact CG-CB 4.22Å; P396-E572 VanDerWaalsContact CG-O 3.27Å; P396-E572 WeakPolarHBondContact CG-O 3.24Å; P396-E572 WeakPolarHBondContact O-CB 3.34Å; M397-E572 PolarHBondContact N-OE2 2.87Å | ||
| 573 | T | 82.8 | Confident | 79.7 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -151.6 | 79.2 | -152.6 | 56.8 | 0 | 0 | 0 | 0 | 117.5 | P396 L553 L554 A557 L571 | P396-T573 PolarHBondContact O-N 2.91Å; L553-T573 HydrophobicContact CB-CG2 4.16Å; L553-T573 WeakPolarHBondContact O-CG2 3.46Å; L554-T573 HydrophobicContact CD2-CG2 3.96Å; L554-T573 WeakPolarHBondContact CD2-OG1 3.47Å; L554-T573 HydrophobicContact CG-CG2 4.12Å; L554-T573 WeakPolarHBondContact CG-OG1 3.13Å; A557-T573 HydrophobicContact CB-CG2 3.64Å; L571-T573 VanDerWaalsContact O-CG2 3.3Å; L571-T573 WeakPolarHBondContact O-CG2 3.35Å | ||
| 574 | T | 79.7 | Confident | 80.1 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 13% | 0.129 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -144.5 | -53.3 | 179.1 | 84 | 0 | 0 | 0 | 0 | 111.9 | P396 M397 D398 I549 | P396-T574 VanDerWaalsContact C-CG2 3.41Å; P396-T574 HydrophobicContact CB-CG2 3.57Å; P396-T574 WeakPolarHBondContact CB-OG1 3.34Å; P396-T574 WeakPolarHBondContact O-CG2 3.25Å; M397-T574 HydrophobicContact CB-CG2 3.58Å; D398-T574 HydrophobicContact CB-CG2 3.44Å; D398-T574 VanDerWaalsContact CB-CG2 3.44Å; D398-T574 WeakPolarHBondContact OD2-CB 3.26Å; D398-T574 WeakPolarHBondContact OD2-CG2 3.5Å; I549-T574 WeakPolarHBondContact CG2-O 3.3Å |
| 575 | T | 79.3 | Confident | 80.4 | Confident | 30 Ų | 30 | 36.9 Ų | 36.9 | 18% | 0.184 | 21% | 0.207 | C | C | . | . | trans | -109.5 | 135.9 | 174.8 | 83.2 | 0 | 0 | 0 | 0 | 108.6 | A577 S578 F579 | T575-A577 PolarHBondContact O-N 2.91Å; T575-S578 PolarHBondContact O-N 2.85Å; T575-S578 PolarHBondContact OG1-N 3.5Å; T575-S578 PolarHBondContact OG1-OG 3.29Å; T575-F579 PolarHBondContact O-N 2.69Å | ||
| 576 | L | 85.5 | Confident | 80.7 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.2 | -35.5 | 173.8 | 177.5 | 60.3 | 0 | 0 | 0 | 110.2 | L553 F579 L580 I599 I620 Q625 L626 L636 L638 | L553-L576 HydrophobicContact CD2-CD1 4.21Å; L576-F579 HydrophobicContact CD1-CD1 4.42Å; L576-F579 PolarHBondContact O-N 2.77Å; L576-L580 HydrophobicContact CD1-CD1 3.89Å; L576-L580 HydrophobicContact CD1-CG 4.05Å; L576-L580 HydrophobicContact CG-CD1 3.79Å; L576-L580 HydrophobicContact CG-CG 4.42Å; L576-L580 WeakPolarHBondContact O-CB 3.44Å; L576-L580 VanDerWaalsContact O-CD1 3.31Å; L576-L580 WeakPolarHBondContact O-CD1 3.2Å; L576-L580 WeakPolarHBondContact O-CG 2.95Å; L576-L580 PolarHBondContact O-N 2.68Å; L576-I599 HydrophobicContact CD1-CD1 3.76Å; L576-I599 HydrophobicContact CD2-CD1 4.11Å; L576-I620 HydrophobicContact CD2-CD1 4.16Å; L576-I620 HydrophobicContact CD2-CG1 4.3Å; L576-Q625 WeakPolarHBondContact CB-O 3.42Å; L576-L626 HydrophobicContact CD2-CD2 4.48Å; L576-L636 HydrophobicContact CD2-CD2 4.08Å; L576-L638 HydrophobicContact CD2-CD2 3.96Å |
| 577 | A | 84.6 | Confident | 80.8 | Confident | 21 Ų | 21 | 28.4 Ų | 28.4 | 17% | 0.174 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.6 | -50.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T575 Y581 K624 Q625 P627 | T575-A577 PolarHBondContact O-N 2.91Å; A577-Y581 PolarHBondContact O-N 3.08Å; A577-K624 WeakPolarHBondContact CB-O 3.47Å; A577-Q625 WeakPolarHBondContact CB-O 3.43Å; A577-Q625 PolarHBondContact N-O 3.34Å; A577-P627 HydrophobicContact CB-CB 4.43Å |
| 578 | S | 85.5 | Confident | 80.7 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 18% | 0.175 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -79 | -23.2 | 179 | 42.5 | 0 | 0 | 0 | 0 | 113.4 | P396 T575 Y581 S582 | P396-S578 VanDerWaalsContact CB-OG 3.3Å; P396-S578 WeakPolarHBondContact CB-OG 3.4Å; P396-S578 VanDerWaalsContact CD-C 3.46Å; P396-S578 WeakPolarHBondContact CD-O 3.4Å; P396-S578 VanDerWaalsContact CG-C 3.47Å; P396-S578 WeakPolarHBondContact CG-OG 3.35Å; T575-S578 PolarHBondContact O-N 2.85Å; T575-S578 PolarHBondContact OG1-N 3.5Å; T575-S578 PolarHBondContact OG1-OG 3.29Å; S578-Y581 WeakPolarHBondContact O-CB 3.27Å; S578-Y581 PolarHBondContact O-N 3.39Å; S578-S582 PolarHBondContact O-N 3.47Å; S578-S582 PolarHBondContact O-OG 3.31Å |
| 579 | F | 88.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.7 | -43.5 | 168.9 | 172.3 | -96.2 | 0 | 0 | 0 | 111.3 | P396 L553 L556 A557 I560 L571 T575 L576 Y581 S582 L583 I597 | P396-F579 HydrophobicContact CG-CB 4.24Å; P396-F579 VanDerWaalsContact CG-N 3.32Å; L553-F579 HydrophobicContact CD1-CB 4.31Å; L553-F579 HydrophobicContact CD2-CB 3.98Å; L553-F579 HydrophobicContact CD2-CD1 3.73Å; L553-F579 HydrophobicContact CD2-CD2 4.1Å; L553-F579 HydrophobicContact CD2-CE1 4.17Å; L553-F579 HydrophobicContact CD2-CE2 4.49Å; L553-F579 HydrophobicContact CD2-CG 3.68Å; L556-F579 HydrophobicContact CB-CE2 4.46Å; L556-F579 HydrophobicContact CB-CZ 3.92Å; A557-F579 HydrophobicContact CB-CE2 4.2Å; I560-F579 HydrophobicContact CD1-CE1 4.36Å; I560-F579 HydrophobicContact CD1-CZ 3.72Å; L571-F579 HydrophobicContact CD2-CE2 4.39Å; T575-F579 PolarHBondContact O-N 2.69Å; L576-F579 HydrophobicContact CD1-CD1 4.42Å; L576-F579 PolarHBondContact O-N 2.77Å; F579-Y581 PolarHBondContact O-N 3.37Å; F579-S582 PolarHBondContact O-N 2.98Å; F579-S582 PolarHBondContact O-OG 2.97Å; F579-L583 WeakPolarHBondContact O-CB 3.47Å; F579-L583 PolarHBondContact O-N 3.07Å; F579-I597 HydrophobicContact CE1-CD1 4.29Å |
| 580 | L | 86.8 | Confident | 79.9 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -29.8 | 172 | -68.4 | 163.4 | 0 | 0 | 0 | 111.8 | L576 S584 I597 P627 L630 I634 L636 | L576-L580 HydrophobicContact CD1-CD1 3.89Å; L576-L580 HydrophobicContact CD1-CG 4.05Å; L576-L580 HydrophobicContact CG-CD1 3.79Å; L576-L580 HydrophobicContact CG-CG 4.42Å; L576-L580 WeakPolarHBondContact O-CB 3.44Å; L576-L580 VanDerWaalsContact O-CD1 3.31Å; L576-L580 WeakPolarHBondContact O-CD1 3.2Å; L576-L580 WeakPolarHBondContact O-CG 2.95Å; L576-L580 PolarHBondContact O-N 2.68Å; L580-S584 WeakPolarHBondContact O-CB 3.37Å; L580-S584 PolarHBondContact O-N 3.24Å; L580-I597 HydrophobicContact CD2-CD1 4.12Å; L580-P627 HydrophobicContact CD1-CG 4.1Å; L580-L630 HydrophobicContact CD1-CD2 4.2Å; L580-I634 HydrophobicContact CD2-CG2 4.13Å; L580-L636 HydrophobicContact CD1-CD2 3.77Å |
| 581 | Y | 85.5 | Confident | 78.6 | Confident | 96 Ų | 96 | 38.8 Ų | 38.8 | 38% | 0.376 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -68.8 | -51.3 | 173.1 | -163.2 | -69.8 | 0 | 0 | 0 | 111.8 | N394 A577 S578 F579 L583 S584 C585 | N394-Y581 VanDerWaalsContact CA-CD1 3.49Å; N394-Y581 HydrophobicContact CB-CD1 3.47Å; N394-Y581 VanDerWaalsContact CB-CD1 3.47Å; N394-Y581 HydrophobicContact CB-CE1 3.35Å; N394-Y581 HydrophobicContact CB-CG 4.48Å; N394-Y581 VanDerWaalsContact O-CD1 3.26Å; N394-Y581 WeakPolarHBondContact O-CD1 3.45Å; N394-Y581 WeakPolarHBondContact OD1-CE1 3.06Å; N394-Y581 PolarHBondContact OD1-OH 2.88Å; A577-Y581 PolarHBondContact O-N 3.08Å; S578-Y581 WeakPolarHBondContact O-CB 3.27Å; S578-Y581 PolarHBondContact O-N 3.39Å; F579-Y581 PolarHBondContact O-N 3.37Å; Y581-L583 VanDerWaalsContact C-N 3.27Å; Y581-L583 PolarHBondContact O-N 3.45Å; Y581-S584 WeakPolarHBondContact O-CA 3.32Å; Y581-S584 WeakPolarHBondContact O-CB 3.44Å; Y581-S584 PolarHBondContact O-N 3.47Å; Y581-S584 PolarHBondContact O-OG 3.35Å; Y581-C585 VanDerWaalsContact CE1-SG 3.54Å; Y581-C585 PolarHBondContact O-N 2.86Å |
| 582 | S | 86.3 | Confident | 77.6 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.028 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 179.3 | 65.5 | 0 | 0 | 0 | 0 | 111.1 | N394 S578 F579 S584 C585 L586 | N394-S582 PolarHBondContact O-N 3.4Å; S578-S582 PolarHBondContact O-N 3.47Å; S578-S582 PolarHBondContact O-OG 3.31Å; F579-S582 PolarHBondContact O-N 2.98Å; F579-S582 PolarHBondContact O-OG 2.97Å; S582-S584 PolarHBondContact O-N 2.78Å; S582-C585 WeakPolarHBondContact O-CB 3.33Å; S582-C585 PolarHBondContact O-N 2.85Å; S582-L586 PolarHBondContact O-N 3Å; S582-L586 VanDerWaalsContact O-N 3.07Å |
| 583 | L | 84.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 170.1 | -170.2 | 67.3 | 0 | 0 | 0 | 112.9 | I560 L564 L571 F579 Y581 C585 L586 Q587 I595 I597 I634 | I560-L583 HydrophobicContact CD1-CD1 4.19Å; I560-L583 HydrophobicContact CG2-CD1 3.91Å; L564-L583 HydrophobicContact CD1-CD1 4.45Å; L571-L583 HydrophobicContact CD2-CB 4.36Å; L571-L583 HydrophobicContact CD2-CD1 4.19Å; F579-L583 WeakPolarHBondContact O-CB 3.47Å; F579-L583 PolarHBondContact O-N 3.07Å; Y581-L583 VanDerWaalsContact C-N 3.27Å; Y581-L583 PolarHBondContact O-N 3.45Å; L583-C585 VanDerWaalsContact C-N 3.33Å; L583-C585 PolarHBondContact O-N 3.21Å; L583-L586 WeakPolarHBondContact O-CB 3.38Å; L583-L586 PolarHBondContact O-N 3.14Å; L583-Q587 WeakPolarHBondContact O-CB 3.42Å; L583-Q587 PolarHBondContact O-N 3.43Å; L583-I595 HydrophobicContact CD1-CD1 3.9Å; L583-I595 HydrophobicContact CD2-CD1 4.19Å; L583-I595 HydrophobicContact CD2-CG2 4.23Å; L583-I595 HydrophobicContact CG-CD1 3.88Å; L583-I597 HydrophobicContact CD2-CD1 3.58Å; L583-I634 HydrophobicContact CD2-CD1 4.42Å; L583-I634 HydrophobicContact CG-CD1 4.34Å |
| 584 | S | 80.4 | Confident | 76.5 | Confident | 8 Ų | 8 | 48 Ų | 48 | 6% | 0.056 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.7 | -32.2 | 174.3 | 83.1 | 0 | 0 | 0 | 0 | 113.3 | L580 Y581 S582 L586 Q587 R588 | L580-S584 WeakPolarHBondContact O-CB 3.37Å; L580-S584 PolarHBondContact O-N 3.24Å; Y581-S584 WeakPolarHBondContact O-CA 3.32Å; Y581-S584 WeakPolarHBondContact O-CB 3.44Å; Y581-S584 PolarHBondContact O-N 3.47Å; Y581-S584 PolarHBondContact O-OG 3.35Å; S582-S584 PolarHBondContact O-N 2.78Å; S584-L586 VanDerWaalsContact C-N 3.34Å; S584-Q587 PolarHBondContact O-N 3.25Å; S584-R588 WeakPolarHBondContact O-CG 3.43Å; S584-R588 PolarHBondContact O-N 2.86Å |
| 585 | C | 80.7 | Confident | 76.6 | Confident | 47 Ų | 47 | 47.3 Ų | 47.3 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.1 | -33.2 | 172.1 | -78.9 | 0 | 0 | 0 | 0 | 112.2 | Y581 S582 L583 | Y581-C585 VanDerWaalsContact CE1-SG 3.54Å; Y581-C585 PolarHBondContact O-N 2.86Å; S582-C585 WeakPolarHBondContact O-CB 3.33Å; S582-C585 PolarHBondContact O-N 2.85Å; L583-C585 VanDerWaalsContact C-N 3.33Å; L583-C585 PolarHBondContact O-N 3.21Å |
| 586 | L | 75.8 | Confident | 77 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.3 | -45.8 | 169.8 | -77.5 | 172.4 | 0 | 0 | 0 | 111.9 | L564 T566 I570 L571 S582 L583 S584 R588 K589 H590 | L564-L586 HydrophobicContact CD1-CB 4.46Å; L564-L586 HydrophobicContact CD1-CD1 4.19Å; T566-L586 HydrophobicContact CG2-CD1 4.44Å; T566-L586 HydrophobicContact CG2-CD2 3.79Å; I570-L586 HydrophobicContact CG2-CD1 4.05Å; I570-L586 HydrophobicContact CG2-CD2 3.81Å; I570-L586 HydrophobicContact CG2-CG 3.96Å; L571-L586 HydrophobicContact CD1-CD1 4.44Å; L571-L586 HydrophobicContact CD2-CD1 3.75Å; L571-L586 HydrophobicContact CG-CD1 3.95Å; S582-L586 PolarHBondContact O-N 3Å; S582-L586 VanDerWaalsContact O-N 3.07Å; L583-L586 WeakPolarHBondContact O-CB 3.38Å; L583-L586 PolarHBondContact O-N 3.14Å; S584-L586 VanDerWaalsContact C-N 3.34Å; L586-R588 VanDerWaalsContact C-N 3.26Å; L586-R588 PolarHBondContact O-N 3.36Å; L586-K589 WeakPolarHBondContact O-CA 3.31Å; L586-K589 WeakPolarHBondContact O-CB 3.38Å; L586-K589 PolarHBondContact O-N 2.85Å; L586-H590 PolarHBondContact O-CD2 3.37Å; L586-H590 PolarHBondContact O-N 3.26Å |
| 587 | Q | 71.2 | Confident | 77.1 | Confident | 28 Ų | 28 | 46.5 Ų | 46.5 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.4 | -39.3 | 177.8 | -165.6 | -141.1 | 0.1 | 0 | 0 | 111.9 | L583 S584 K589 H590 A591 K593 I595 S632 | L583-Q587 WeakPolarHBondContact O-CB 3.42Å; L583-Q587 PolarHBondContact O-N 3.43Å; S584-Q587 PolarHBondContact O-N 3.25Å; Q587-K589 PolarHBondContact O-N 2.93Å; Q587-H590 CarbonylContact O-C 3.58Å; Q587-H590 PolarHBondContact O-N 3.42Å; Q587-H590 VanDerWaalsContact O-N 3.15Å; Q587-A591 PolarHBondContact O-N 3.41Å; Q587-K593 WeakPolarHBondContact CG-O 3.45Å; Q587-K593 PolarHBondContact NE2-O 3.23Å; Q587-I595 HydrophobicContact CB-CD1 4.37Å; Q587-I595 HydrophobicContact CG-CD1 4.35Å; Q587-S632 PolarHBondContact NE2-O 3.34Å; Q587-S632 PolarHBondContact OE1-O 3.44Å |
| 588 | R | 66.6 | Low | 77.4 | Confident | 178 Ų | 178 | 45.6 Ų | 45.6 | 67% | 0.672 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.2 | 174 | -74.3 | 178.7 | -175.1 | 168.7 | 5.8 | 114.6 | S584 L586 | S584-R588 WeakPolarHBondContact O-CG 3.43Å; S584-R588 PolarHBondContact O-N 2.86Å; L586-R588 VanDerWaalsContact C-N 3.26Å; L586-R588 PolarHBondContact O-N 3.36Å |
| 589 | K | 66.6 | Low | 77.5 | Confident | 154 Ų | 154 | 44.7 Ų | 44.7 | 67% | 0.67 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -38.2 | 170.5 | -64.9 | 176.7 | -179.3 | 174.5 | 0 | 111.4 | L586 Q587 A591 | L586-K589 WeakPolarHBondContact O-CA 3.31Å; L586-K589 WeakPolarHBondContact O-CB 3.38Å; L586-K589 PolarHBondContact O-N 2.85Å; Q587-K589 PolarHBondContact O-N 2.93Å; K589-A591 PolarHBondContact O-N 3.25Å |
| 590 | H | 65 | Low | 77.4 | Confident | 81 Ų | 81 | 44.7 Ų | 44.7 | 38% | 0.375 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -98.7 | 63.1 | 179.2 | -60.7 | -81.9 | 0 | 0 | 0 | 110.9 | L586 Q587 S592 K593 | L586-H590 PolarHBondContact O-CD2 3.37Å; L586-H590 PolarHBondContact O-N 3.26Å; Q587-H590 CarbonylContact O-C 3.58Å; Q587-H590 PolarHBondContact O-N 3.42Å; Q587-H590 VanDerWaalsContact O-N 3.15Å; H590-S592 PolarHBondContact O-N 3.06Å; H590-K593 PolarHBondContact O-N 2.96Å |
| 591 | A | 53.3 | Low | 77.2 | Confident | 97 Ų | 97 | 44.3 Ų | 44.3 | 80% | 0.802 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 14.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | Q587 K589 | Q587-A591 PolarHBondContact O-N 3.41Å; K589-A591 PolarHBondContact O-N 3.25Å |
| 592 | S | 56.8 | Low | 77.2 | Confident | 80 Ų | 80 | 39.8 Ų | 39.8 | 56% | 0.559 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125 | 11 | -179.1 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | D535 H590 | D535-S592 WeakPolarHBondContact CA-O 3.37Å; D535-S592 WeakPolarHBondContact CB-O 3.35Å; H590-S592 PolarHBondContact O-N 3.06Å |
| 593 | K | 66.4 | Low | 76.7 | Confident | 85 Ų | 85 | 42.2 Ų | 42.2 | 37% | 0.37 | 22% | 0.222 | S | C | . | . | trans | -124.8 | 127 | 178 | -68.1 | -169.8 | 176.1 | -172.5 | 0 | 112.9 | T534 D535 Q587 H590 | T534-K593 WeakPolarHBondContact O-CE 3.4Å; D535-K593 WeakPolarHBondContact O-CA 3.31Å; Q587-K593 WeakPolarHBondContact CG-O 3.45Å; Q587-K593 PolarHBondContact NE2-O 3.23Å; H590-K593 PolarHBondContact O-N 2.96Å | ||
| 594 | S | 76.8 | Confident | 76.5 | Confident | 42 Ų | 42 | 43.8 Ų | 43.8 | 29% | 0.294 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 154.2 | 159.9 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | D535 C536 L537 G633 | D535-S594 PolarHBondContact O-N 3.2Å; D535-S594 PolarHBondContact O-OG 2.65Å; C536-S594 CarbonylContact C-O 3.35Å; C536-S594 WeakPolarHBondContact CA-O 3.36Å; C536-S594 WeakPolarHBondContact CA-OG 3.25Å; C536-S594 WeakPolarHBondContact CB-OG 3.23Å; C536-S594 PolarHBondContact SG-OG 3.48Å; L537-S594 PolarHBondContact N-O 3.29Å; S594-G633 CarbonylContact C-O 3.59Å; S594-G633 VanDerWaalsContact CA-O 3.28Å; S594-G633 WeakPolarHBondContact CA-O 3.32Å |
| 595 | I | 82.5 | Confident | 76.5 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 125.6 | -179.8 | -47.1 | 177.4 | 0 | 0 | 0 | 109.5 | L537 L583 Q587 I597 G633 I634 K635 | L537-I595 HydrophobicContact CB-CG1 4.34Å; L537-I595 HydrophobicContact CB-CG2 4.23Å; L537-I595 HydrophobicContact CD2-CG2 4.07Å; L537-I595 HydrophobicContact CG-CG2 4.21Å; L537-I595 CarbonylContact O-C 3Å; L537-I595 WeakPolarHBondContact O-CA 3.45Å; L583-I595 HydrophobicContact CD1-CD1 3.9Å; L583-I595 HydrophobicContact CD2-CD1 4.19Å; L583-I595 HydrophobicContact CD2-CG2 4.23Å; L583-I595 HydrophobicContact CG-CD1 3.88Å; Q587-I595 HydrophobicContact CB-CD1 4.37Å; Q587-I595 HydrophobicContact CG-CD1 4.35Å; I595-I597 HydrophobicContact CG2-CD1 4.37Å; I595-I597 HydrophobicContact CG2-CG1 4.11Å; I595-G633 PolarHBondContact N-O 3.21Å; I595-I634 HydrophobicContact CB-CG1 4.45Å; I595-I634 CarbonylContact O-C 3.54Å; I595-I634 WeakPolarHBondContact O-CA 3.22Å; I595-K635 PolarHBondContact O-N 2.82Å |
| 596 | I | 87.2 | Confident | 76.2 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.1 | -179.1 | -56.8 | 170.3 | 0 | 0 | 0 | 107.5 | V483 V525 L537 L538 L539 K635 | V483-I596 HydrophobicContact CG1-CD1 3.64Å; V483-I596 HydrophobicContact CG1-CG1 4.47Å; V525-I596 HydrophobicContact CG1-CD1 3.75Å; L537-I596 PolarHBondContact O-N 3.19Å; L538-I596 HydrophobicContact CD1-CB 3.72Å; L538-I596 HydrophobicContact CD1-CD1 4.31Å; L538-I596 HydrophobicContact CD1-CG2 3.65Å; L539-I596 PolarHBondContact N-O 2.59Å; I596-K635 HydrophobicContact CG1-CB 4.35Å |
| 597 | I | 88.4 | Confident | 75.9 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.5 | -179.3 | -62 | 178.5 | 0 | 0 | 0 | 109.4 | F579 L580 L583 I595 I599 K635 L636 I637 | F579-I597 HydrophobicContact CE1-CD1 4.29Å; L580-I597 HydrophobicContact CD2-CD1 4.12Å; L583-I597 HydrophobicContact CD2-CD1 3.58Å; I595-I597 HydrophobicContact CG2-CD1 4.37Å; I595-I597 HydrophobicContact CG2-CG1 4.11Å; I597-I599 HydrophobicContact CG2-CD1 4.23Å; I597-I599 HydrophobicContact CG2-CG1 3.94Å; I597-K635 PolarHBondContact N-O 2.75Å; I597-L636 HydrophobicContact CB-CD1 4.14Å; I597-L636 HydrophobicContact CG2-CD1 4Å; I597-L636 WeakPolarHBondContact O-CA 3.49Å; I597-I637 PolarHBondContact O-N 3.48Å |
| 598 | I | 90.2 | Very high | 75.3 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.4 | 175.5 | -53.5 | -171.4 | 0 | 0 | 0 | 108.8 | A518 F522 L539 I540 R541 I637 | A518-I598 HydrophobicContact CB-CG2 3.88Å; F522-I598 HydrophobicContact CB-CD1 3.93Å; F522-I598 HydrophobicContact CD2-CD1 4.21Å; L539-I598 PolarHBondContact O-N 2.89Å; I540-I598 WeakPolarHBondContact CA-O 3.46Å; I540-I598 HydrophobicContact CB-CB 4.26Å; I540-I598 HydrophobicContact CD1-CB 4.18Å; I540-I598 HydrophobicContact CD1-CG2 3.9Å; I540-I598 HydrophobicContact CG1-CB 4Å; I540-I598 HydrophobicContact CG1-CG2 4.05Å; R541-I598 PolarHBondContact N-O 2.94Å; I598-I637 WeakPolarHBondContact CA-O 3.46Å; I598-I637 HydrophobicContact CD1-CD1 4Å; I598-I637 HydrophobicContact CG1-CB 4.18Å; I598-I637 HydrophobicContact CG1-CD1 4.19Å; I598-I637 HydrophobicContact CG2-CB 4.35Å; I598-I637 HydrophobicContact CG2-CG2 4.4Å |
| 599 | I | 89 | Confident | 74.9 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 111.7 | 176.9 | -59.5 | 175.5 | 0 | 0 | 0 | 108 | R541 Y543 L576 I597 I602 L605 L636 I637 L638 S639 | R541-I599 WeakPolarHBondContact O-CA 3.46Å; Y543-I599 HydrophobicContact CD2-CG2 4.41Å; Y543-I599 HydrophobicContact CE2-CG2 4.24Å; L576-I599 HydrophobicContact CD1-CD1 3.76Å; L576-I599 HydrophobicContact CD2-CD1 4.11Å; I597-I599 HydrophobicContact CG2-CD1 4.23Å; I597-I599 HydrophobicContact CG2-CG1 3.94Å; I599-I602 HydrophobicContact CG2-CG2 4.37Å; I599-L605 HydrophobicContact CG2-CD1 3.65Å; I599-L636 HydrophobicContact CD1-CD1 4.45Å; I599-I637 PolarHBondContact N-O 3.34Å; I599-L638 HydrophobicContact CB-CD2 3.85Å; I599-L638 HydrophobicContact CD1-CD2 4.37Å; I599-L638 HydrophobicContact CG2-CD2 4.44Å; I599-L638 CarbonylContact O-C 3.59Å; I599-L638 WeakPolarHBondContact O-CA 3.16Å; I599-S639 PolarHBondContact O-N 2.87Å; I599-S639 PolarHBondContact O-OG 3.4Å |
| 600 | G | 85.6 | Confident | 74.2 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 155.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N515 R541 I542 Y543 S639 | N515-G600 WeakPolarHBondContact OD1-CA 3.36Å; R541-G600 PolarHBondContact O-N 2.83Å; I542-G600 WeakPolarHBondContact CA-O 3.33Å; Y543-G600 PolarHBondContact N-O 3.16Å; G600-S639 CarbonylContact C-O 3.55Å; G600-S639 WeakPolarHBondContact CA-O 3.22Å; G600-S639 VanDerWaalsContact CA-OG 3.28Å; G600-S639 WeakPolarHBondContact CA-OG 3.18Å |
| 601 | G | 83.2 | Confident | 73.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | 78.2 | 37.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N515 E603 H604 S639 | N515-G601 PolarHBondContact ND2-N 3.38Å; N515-G601 VanDerWaalsContact ND2-N 3.17Å; N515-G601 PolarHBondContact OD1-N 2.96Å; G601-E603 WeakPolarHBondContact CA-OE2 3.48Å; G601-E603 PolarHBondContact O-N 2.94Å; G601-E603 VanDerWaalsContact O-N 3.12Å; G601-H604 PolarHBondContact O-N 3.48Å; G601-S639 PolarHBondContact N-O 3.41Å | ||
| 602 | I | 84.8 | Confident | 72.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -61.1 | -17.2 | 178.9 | 61.8 | 163 | 0 | 0 | 0 | 113.8 | L495 I599 H604 L618 I620 L621 L638 S639 | L495-I602 HydrophobicContact CD1-CD1 3.68Å; I599-I602 HydrophobicContact CG2-CG2 4.37Å; I602-H604 VanDerWaalsContact C-N 3.28Å; I602-L618 HydrophobicContact CD1-CD1 3.88Å; I602-L618 HydrophobicContact CG1-CD1 3.91Å; I602-I620 HydrophobicContact CB-CG2 3.76Å; I602-I620 HydrophobicContact CG2-CD1 4.32Å; I602-I620 HydrophobicContact CG2-CG2 4.22Å; I602-L621 HydrophobicContact CD1-CD1 4.32Å; I602-L621 HydrophobicContact CD1-CD2 3.97Å; I602-L621 HydrophobicContact CD1-CG 4.27Å; I602-L638 HydrophobicContact CG2-CB 4.13Å; I602-L638 HydrophobicContact CG2-CD1 4.46Å; I602-L638 HydrophobicContact CG2-CD2 4.17Å; I602-L638 HydrophobicContact CG2-CG 4.49Å; I602-S639 WeakPolarHBondContact CG1-O 3.39Å; I602-S639 PolarHBondContact N-O 3.3Å |
| 603 | E | 76.5 | Confident | 72 | Confident | 56 Ų | 56 | 49 Ų | 49 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -70.2 | -19.4 | 170 | 61.7 | -93.4 | -118.2 | 0 | 0 | 113.9 | G601 G640 N641 | G601-E603 WeakPolarHBondContact CA-OE2 3.48Å; G601-E603 PolarHBondContact O-N 2.94Å; G601-E603 VanDerWaalsContact O-N 3.12Å; E603-G640 WeakPolarHBondContact OE2-CA 3.3Å; E603-N641 VanDerWaalsContact CD-N 3.28Å; E603-N641 VanDerWaalsContact OE1-CB 3.27Å; E603-N641 WeakPolarHBondContact OE1-CB 3.45Å; E603-N641 PolarHBondContact OE1-N 3.45Å; E603-N641 PolarHBondContact OE1-ND2 3.05Å; E603-N641 PolarHBondContact OE2-N 3.35Å |
| 604 | H | 79.7 | Confident | 70.9 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 15% | 0.153 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -100.6 | 3.8 | 178.6 | -57.5 | -80.9 | 0 | 0 | 0 | 113.6 | E509 Y543 P546 T547 G601 I602 | E509-H604 IonicContact OE1-CE1 3.89Å; E509-H604 PolarHBondContact OE1-CE1 2.86Å; Y543-H604 PolarHBondContact O-CD2 2.79Å; P546-H604 WeakPolarHBondContact CA-O 3.49Å; T547-H604 PolarHBondContact N-O 3.3Å; G601-H604 PolarHBondContact O-N 3.48Å; I602-H604 VanDerWaalsContact C-N 3.28Å |
| 605 | L | 80.3 | Confident | 69.5 | Low | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 102 | -178.1 | -71.9 | 175.6 | 0 | 0 | 0 | 111.5 | Y543 T547 A552 I599 I620 | Y543-L605 HydrophobicContact CD1-CD2 4.18Å; Y543-L605 HydrophobicContact CD2-CD1 4.19Å; Y543-L605 HydrophobicContact CD2-CD2 3.85Å; Y543-L605 HydrophobicContact CD2-CG 4.24Å; Y543-L605 HydrophobicContact CE1-CD2 4.49Å; Y543-L605 HydrophobicContact CE2-CD1 4.49Å; Y543-L605 HydrophobicContact CE2-CD2 4.19Å; Y543-L605 HydrophobicContact CG-CD2 3.88Å; Y543-L605 HydrophobicContact CG-CG 4.47Å; T547-L605 WeakPolarHBondContact O-CA 3.48Å; A552-L605 HydrophobicContact CB-CD2 3.73Å; I599-L605 HydrophobicContact CG2-CD1 3.65Å; L605-I620 HydrophobicContact CB-CD1 4.42Å; L605-I620 HydrophobicContact CD1-CD1 3.59Å |
| 606 | E | 74.6 | Confident | 67.9 | Low | 104 Ų | 104 | 59 Ų | 59 | 49% | 0.486 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 151.1 | -176.6 | -64 | -169.8 | 164.7 | 0 | 0 | 112.4 | T547 L548 I549 | T547-E606 PolarHBondContact O-N 3.11Å; L548-E606 HydrophobicContact CD2-CB 4.25Å; I549-E606 PolarHBondContact N-O 3.4Å |
| 607 | V | 69.2 | Low | 66.5 | Low | 20 Ų | 20 | 60.9 Ų | 60.9 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | trans | -127.9 | 116.9 | 178.8 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | I549 E609 Y610 P619 | I549-V607 HydrophobicContact CB-CG2 4.49Å; I549-V607 HydrophobicContact CG2-CG2 3.94Å; V607-E609 PolarHBondContact O-N 2.93Å; V607-Y610 HydrophobicContact CB-CD2 4.49Å; V607-Y610 HydrophobicContact CG1-CD2 3.86Å; V607-Y610 HydrophobicContact CG1-CE2 4.21Å; V607-Y610 PolarHBondContact O-N 2.79Å; V607-P619 HydrophobicContact CB-CB 3.9Å; V607-P619 HydrophobicContact CG2-CB 3.46Å; V607-P619 VanDerWaalsContact CG2-CB 3.46Å | ||
| 608 | S | 59.1 | Low | 65.3 | Low | 78 Ų | 78 | 62.6 Ų | 62.6 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -7 | -172.3 | 49.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 609 | E | 57.2 | Low | 64 | Low | 148 Ų | 148 | 64.3 Ų | 64.3 | 69% | 0.692 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -6.9 | -173.6 | -63.1 | -167.6 | 145.5 | 0 | 0 | 115.6 | V607 | V607-E609 PolarHBondContact O-N 2.93Š|
| 610 | Y | 52.3 | Low | 63.2 | Low | 67 Ų | 67 | 64.1 Ų | 64.1 | 26% | 0.263 | 34% | 0.337 | S | S | . | . | trans | -126.9 | 112.4 | -172.8 | -64.7 | -91.2 | 0 | 0 | 0 | 113.9 | V607 K624 | V607-Y610 HydrophobicContact CB-CD2 4.49Å; V607-Y610 HydrophobicContact CG1-CD2 3.86Å; V607-Y610 HydrophobicContact CG1-CE2 4.21Å; V607-Y610 PolarHBondContact O-N 2.79Å; Y610-K624 VanDerWaalsContact OH-CD 3.27Å; Y610-K624 WeakPolarHBondContact OH-CD 3.47Å; Y610-K624 PolarHBondContact OH-NZ 2.86Å | ||
| 611 | Q | 44.8 | Very low | 62.4 | Low | 127 Ų | 127 | 64.3 Ų | 64.3 | 59% | 0.593 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -124.4 | -25.1 | 167.5 | -80.8 | 177.1 | -31.1 | 0 | 0 | 114.6 | ||
| 612 | D | 42.3 | Very low | 61.8 | Low | 141 Ų | 141 | 66.1 Ų | 66.1 | 75% | 0.754 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -129 | 21.3 | -158.1 | -66.8 | -66.5 | 0 | 0 | 0 | 118.3 | ||
| 613 | S | 42.1 | Very low | 60.9 | Low | 94 Ų | 94 | 69.9 Ų | 69.9 | 66% | 0.657 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -142.9 | -8.5 | -170.7 | 55.8 | 0 | 0 | 0 | 0 | 122.6 | ||
| 614 | M | 43.3 | Very low | 60.6 | Low | 131 Ų | 131 | 72.8 Ų | 72.8 | 65% | 0.645 | 39% | 0.39 | S | S | * | . | trans | -148 | 94.8 | 172.6 | -74.9 | -66.7 | -76.7 | 0 | 0 | 112 | G616 | M614-G616 PolarHBondContact O-N 2.91Š| ||
| 615 | E | 46.7 | Very low | 60.4 | Low | 181 Ų | 181 | 71.7 Ų | 71.7 | 85% | 0.846 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 118.3 | 169.2 | -68.2 | -169.6 | 131.9 | 0 | 0 | 110.6 | ||
| 616 | G | 50.6 | Low | 60.2 | Low | 29 Ų | 29 | 71.5 Ų | 71.5 | 30% | 0.299 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 122.9 | 4.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | M614 | M614-G616 PolarHBondContact O-N 2.91Š|
| 617 | L | 56.3 | Low | 60.2 | Low | 52 Ų | 52 | 67.7 Ų | 67.7 | 27% | 0.272 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -134.6 | 129.5 | 176.3 | -102.5 | 162.6 | 0 | 0 | 0 | 111.1 | L621 L663 | L617-L621 HydrophobicContact CD2-CB 3.8Å; L617-L663 HydrophobicContact CD1-CB 4.29Å; L617-L663 VanDerWaalsContact CD2-O 3.27Å; L617-L663 WeakPolarHBondContact CD2-O 3.31Å; L617-L663 HydrophobicContact CG-CB 4.29Å; L617-L663 WeakPolarHBondContact CG-O 3.33Å |
| 618 | L | 64.2 | Low | 60.4 | Low | 38 Ų | 38 | 75.7 Ų | 75.7 | 20% | 0.199 | 40% | 0.396 | C | S | . | . | trans | -58.5 | 141.5 | 172.9 | -81.1 | 179.2 | 0 | 0 | 0 | 110.6 | I602 I620 L621 L642 | I602-L618 HydrophobicContact CD1-CD1 3.88Å; I602-L618 HydrophobicContact CG1-CD1 3.91Å; L618-I620 VanDerWaalsContact C-N 3.29Å; L618-I620 PolarHBondContact O-N 2.77Å; L618-L621 HydrophobicContact CB-CB 4.43Å; L618-L621 HydrophobicContact CB-CD1 4.22Å; L618-L621 HydrophobicContact CB-CG 4.05Å; L618-L621 WeakPolarHBondContact O-CB 3.25Å; L618-L621 PolarHBondContact O-N 2.88Å; L618-L642 HydrophobicContact CD1-CD2 3.56Å; L618-L642 HydrophobicContact CG-CD2 3.94Å | ||
| 619 | P | 63.3 | Low | 61.4 | Low | 38 Ų | 38 | 80.1 Ų | 80.1 | 25% | 0.247 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -54.3 | -40.8 | -176.8 | -29.1 | 36.2 | 0 | 0 | 0 | 114.3 | V607 L621 Q622 | V607-P619 HydrophobicContact CB-CB 3.9Å; V607-P619 HydrophobicContact CG2-CB 3.46Å; V607-P619 VanDerWaalsContact CG2-CB 3.46Å; P619-L621 VanDerWaalsContact C-N 3.27Å; P619-L621 PolarHBondContact O-N 2.82Å; P619-Q622 WeakPolarHBondContact O-CB 3.41Å; P619-Q622 WeakPolarHBondContact O-CG 3.21Å; P619-Q622 PolarHBondContact O-N 2.79Å |
| 620 | I | 71.4 | Confident | 62.6 | Low | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -72 | -15.1 | 178.6 | -166.5 | 170 | 0 | 0 | 0 | 114.1 | I549 L576 I602 L605 L618 Q625 | I549-I620 HydrophobicContact CD1-CB 4.38Å; I549-I620 HydrophobicContact CD1-CD1 3.78Å; I549-I620 HydrophobicContact CD1-CG1 3.89Å; L576-I620 HydrophobicContact CD2-CD1 4.16Å; L576-I620 HydrophobicContact CD2-CG1 4.3Å; I602-I620 HydrophobicContact CB-CG2 3.76Å; I602-I620 HydrophobicContact CG2-CD1 4.32Å; I602-I620 HydrophobicContact CG2-CG2 4.22Å; L605-I620 HydrophobicContact CB-CD1 4.42Å; L605-I620 HydrophobicContact CD1-CD1 3.59Å; L618-I620 VanDerWaalsContact C-N 3.29Å; L618-I620 PolarHBondContact O-N 2.77Å; I620-Q625 HydrophobicContact CG1-CB 4.49Å; I620-Q625 WeakPolarHBondContact O-CB 3.29Å |
| 621 | L | 68.9 | Low | 63.8 | Low | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -89.5 | -3.9 | 174.1 | -60.9 | -172.1 | 0 | 0 | 0 | 113.4 | L495 I602 L617 L618 P619 L626 L638 L642 P665 | L495-L621 HydrophobicContact CD1-CD1 4.43Å; L495-L621 HydrophobicContact CD1-CD2 3.88Å; L495-L621 HydrophobicContact CD2-CD1 3.74Å; L495-L621 HydrophobicContact CD2-CD2 3.92Å; L495-L621 HydrophobicContact CG-CD2 4.48Å; I602-L621 HydrophobicContact CD1-CD1 4.32Å; I602-L621 HydrophobicContact CD1-CD2 3.97Å; I602-L621 HydrophobicContact CD1-CG 4.27Å; L617-L621 HydrophobicContact CD2-CB 3.8Å; L618-L621 HydrophobicContact CB-CB 4.43Å; L618-L621 HydrophobicContact CB-CD1 4.22Å; L618-L621 HydrophobicContact CB-CG 4.05Å; L618-L621 WeakPolarHBondContact O-CB 3.25Å; L618-L621 PolarHBondContact O-N 2.88Å; P619-L621 VanDerWaalsContact C-N 3.27Å; P619-L621 PolarHBondContact O-N 2.82Å; L621-L626 HydrophobicContact CD2-CD1 4.06Å; L621-L638 HydrophobicContact CD2-CD1 3.93Å; L621-L642 HydrophobicContact CD1-CD1 4.44Å; L621-L642 HydrophobicContact CD1-CD2 3.89Å; L621-P665 HydrophobicContact CB-CG 4.24Å |
| 622 | Q | 70.3 | Confident | 65.2 | Low | 38 Ų | 38 | 69.9 Ų | 69.9 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -66.4 | 147.7 | 173.8 | -62.6 | -176.8 | 14.4 | 0 | 0 | 111.4 | P619 K624 Q625 L626 | P619-Q622 WeakPolarHBondContact O-CB 3.41Å; P619-Q622 WeakPolarHBondContact O-CG 3.21Å; P619-Q622 PolarHBondContact O-N 2.79Å; Q622-K624 PolarHBondContact O-N 3.06Å; Q622-Q625 PolarHBondContact O-N 2.77Å; Q622-L626 PolarHBondContact O-N 3.37Å |
| 623 | A | 65.1 | Low | 66.9 | Low | 80 Ų | 80 | 64.8 Ų | 64.8 | 66% | 0.661 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 0.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 624 | K | 71.6 | Confident | 69 | Low | 117 Ų | 117 | 60.6 Ų | 60.6 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -28.3 | 165.5 | -76.1 | -178.2 | 175.3 | -177 | 0 | 112.8 | A577 Y610 Q622 | A577-K624 WeakPolarHBondContact CB-O 3.47Å; Y610-K624 VanDerWaalsContact OH-CD 3.27Å; Y610-K624 WeakPolarHBondContact OH-CD 3.47Å; Y610-K624 PolarHBondContact OH-NZ 2.86Å; Q622-K624 PolarHBondContact O-N 3.06Å |
| 625 | Q | 75.2 | Confident | 71.1 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -29.1 | -176.6 | -72.3 | -70.4 | -1.6 | 0 | 0 | 112.5 | L576 A577 I620 Q622 | L576-Q625 WeakPolarHBondContact CB-O 3.42Å; A577-Q625 WeakPolarHBondContact CB-O 3.43Å; A577-Q625 PolarHBondContact N-O 3.34Å; I620-Q625 HydrophobicContact CG1-CB 4.49Å; I620-Q625 WeakPolarHBondContact O-CB 3.29Å; Q622-Q625 PolarHBondContact O-N 2.77Å |
| 626 | L | 76.4 | Confident | 73.2 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -104.9 | 124.5 | 176.3 | -75.8 | 175.5 | 0 | 0 | 0 | 112.9 | P493 L576 L621 Q622 L636 L638 | P493-L626 HydrophobicContact CB-CD2 3.97Å; P493-L626 HydrophobicContact CG-CD2 3.88Å; L576-L626 HydrophobicContact CD2-CD2 4.48Å; L621-L626 HydrophobicContact CD2-CD1 4.06Å; Q622-L626 PolarHBondContact O-N 3.37Å; L626-L636 HydrophobicContact CD2-CD2 3.99Å; L626-L638 HydrophobicContact CD1-CD1 4.21Å; L626-L638 HydrophobicContact CD2-CD1 3.73Å; L626-L638 HydrophobicContact CD2-CG 4.49Å; L626-L638 HydrophobicContact CG-CD1 4.33Å |
| 627 | P | 73.5 | Confident | 75.1 | Confident | 25 Ų | 25 | 45.5 Ų | 45.5 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | trans | -75.6 | 137.4 | 177.4 | 31.5 | -34 | 0 | 0 | 0 | 111.5 | A577 L580 R629 L630 | A577-P627 HydrophobicContact CB-CB 4.43Å; L580-P627 HydrophobicContact CD1-CG 4.1Å; P627-R629 PolarHBondContact O-N 2.73Å; P627-R629 VanDerWaalsContact O-N 3.09Å; P627-L630 HydrophobicContact CG-CD2 3.93Å | ||
| 628 | R | 74.4 | Confident | 76.7 | Confident | 188 Ų | 188 | 43.1 Ų | 43.1 | 71% | 0.709 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -58 | -23.1 | 179.3 | -80.6 | -175.1 | 171.8 | -179.5 | -2.7 | 115 | T667 | R628-T667 HydrophobicContact CG-CG2 3.96Š|
| 629 | R | 79.6 | Confident | 78 | Confident | 171 Ų | 171 | 41.3 Ų | 41.3 | 65% | 0.645 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -146.8 | 144.2 | 167.9 | -78.7 | -170.3 | 174.2 | 165.1 | -2.9 | 109.6 | Q491 P627 | Q491-R629 CarbonylContact O-C 3.33Å; Q491-R629 WeakPolarHBondContact O-CA 3.2Å; Q491-R629 WeakPolarHBondContact O-CB 3.18Å; P627-R629 PolarHBondContact O-N 2.73Å; P627-R629 VanDerWaalsContact O-N 3.09Å |
| 630 | L | 81.6 | Confident | 79.1 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | trans | -81.7 | 159.1 | 167.3 | -62.7 | 173.2 | 0 | 0 | 0 | 110.2 | Q491 P493 L580 P627 I634 L636 | Q491-L630 PolarHBondContact O-N 2.77Å; P493-L630 HydrophobicContact CG-CD2 4.34Å; P493-L630 HydrophobicContact CG-CG 4.39Å; L580-L630 HydrophobicContact CD1-CD2 4.2Å; P627-L630 HydrophobicContact CG-CD2 3.93Å; L630-I634 WeakPolarHBondContact CB-O 3.43Å; L630-L636 HydrophobicContact CD1-CB 3.95Å; L630-L636 HydrophobicContact CD2-CB 4.24Å | ||
| 631 | A | 78.6 | Confident | 79.5 | Confident | 27 Ų | 27 | 40.4 Ų | 40.4 | 22% | 0.223 | 21% | 0.212 | C | C | . | . | trans | -74 | 150.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G633 I634 | A631-G633 PolarHBondContact O-N 3.41Å; A631-I634 HydrophobicContact CB-CD1 4.24Å; A631-I634 HydrophobicContact CB-CG1 4.42Å; A631-I634 PolarHBondContact O-N 2.88Å | ||
| 632 | S | 74.9 | Confident | 79.8 | Confident | 90 Ų | 90 | 40.8 Ų | 40.8 | 63% | 0.629 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 110.5 | 179.7 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | Q587 | Q587-S632 PolarHBondContact NE2-O 3.34Å; Q587-S632 PolarHBondContact OE1-O 3.44Å |
| 633 | G | 77.6 | Confident | 79.7 | Confident | 34 Ų | 34 | 43.2 Ų | 43.2 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | 3.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | S594 I595 A631 | S594-G633 CarbonylContact C-O 3.59Å; S594-G633 VanDerWaalsContact CA-O 3.28Å; S594-G633 WeakPolarHBondContact CA-O 3.32Å; I595-G633 PolarHBondContact N-O 3.21Å; A631-G633 PolarHBondContact O-N 3.41Å |
| 634 | I | 85.4 | Confident | 79.5 | Confident | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.9 | 163.7 | -59.1 | -175.6 | 0 | 0 | 0 | 109.1 | L580 L583 I595 L630 A631 | L580-I634 HydrophobicContact CD2-CG2 4.13Å; L583-I634 HydrophobicContact CD2-CD1 4.42Å; L583-I634 HydrophobicContact CG-CD1 4.34Å; I595-I634 HydrophobicContact CB-CG1 4.45Å; I595-I634 CarbonylContact O-C 3.54Å; I595-I634 WeakPolarHBondContact O-CA 3.22Å; L630-I634 WeakPolarHBondContact CB-O 3.43Å; A631-I634 HydrophobicContact CB-CD1 4.24Å; A631-I634 HydrophobicContact CB-CG1 4.42Å; A631-I634 PolarHBondContact O-N 2.88Å |
| 635 | K | 88.1 | Confident | 78.6 | Confident | 23 Ų | 23 | 40 Ų | 40 | 10% | 0.1 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142 | 172.9 | -65.7 | -75.9 | -177.2 | 168.6 | 0 | 109.5 | Y482 V483 D485 A490 I595 I596 I597 | Y482-K635 HydrophobicContact CE1-CB 4.36Å; Y482-K635 HydrophobicContact CE1-CD 4.11Å; Y482-K635 HydrophobicContact CE2-CD 4.27Å; Y482-K635 VanDerWaalsContact O-CE 3.31Å; Y482-K635 WeakPolarHBondContact O-CE 3.21Å; Y482-K635 PolarHBondContact O-NZ 3.23Å; V483-K635 WeakPolarHBondContact O-CE 3.44Å; D485-K635 WeakPolarHBondContact O-CE 3.35Å; D485-K635 PolarHBondContact O-NZ 3.05Å; A490-K635 PolarHBondContact O-NZ 3.5Å; I595-K635 PolarHBondContact O-N 2.82Å; I596-K635 HydrophobicContact CG1-CB 4.35Å; I597-K635 PolarHBondContact N-O 2.75Å |
| 636 | L | 89.6 | Confident | 77.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 123.7 | -178.4 | 177.1 | 72.6 | 0 | 0 | 0 | 110.2 | Y482 P493 M494 L576 L580 I597 I599 L626 L630 L638 | Y482-L636 PolarHBondContact OH-N 3.09Å; Y482-L636 PolarHBondContact OH-O 3.32Å; P493-L636 HydrophobicContact CB-CD2 4.06Å; P493-L636 HydrophobicContact CG-CD2 4.2Å; M494-L636 PolarHBondContact N-O 2.94Å; L576-L636 HydrophobicContact CD2-CD2 4.08Å; L580-L636 HydrophobicContact CD1-CD2 3.77Å; I597-L636 HydrophobicContact CB-CD1 4.14Å; I597-L636 HydrophobicContact CG2-CD1 4Å; I597-L636 WeakPolarHBondContact O-CA 3.49Å; I599-L636 HydrophobicContact CD1-CD1 4.45Å; L626-L636 HydrophobicContact CD2-CD2 3.99Å; L630-L636 HydrophobicContact CD1-CB 3.95Å; L630-L636 HydrophobicContact CD2-CB 4.24Å; L636-L638 HydrophobicContact CD1-CD2 4.22Å; L636-L638 HydrophobicContact CD2-CD2 4.39Å; L636-L638 HydrophobicContact CD2-CG 4.43Å; L636-L638 HydrophobicContact CG-CD2 4.35Å |
| 637 | I | 91.3 | Very high | 75.8 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 122.1 | 169.7 | -60.3 | 166.3 | 0 | 0 | 0 | 108.1 | L479 Y482 V483 M494 V496 A518 I597 I598 I599 | L479-I637 HydrophobicContact CD2-CD1 3.94Å; L479-I637 HydrophobicContact CD2-CG1 4.15Å; L479-I637 HydrophobicContact CD2-CG2 4.11Å; Y482-I637 HydrophobicContact CD1-CG1 4.28Å; Y482-I637 HydrophobicContact CE1-CG1 4.03Å; V483-I637 HydrophobicContact CG2-CD1 4.09Å; M494-I637 WeakPolarHBondContact O-CA 3.36Å; V496-I637 HydrophobicContact CG2-CG2 3.85Å; A518-I637 HydrophobicContact CB-CG2 4.16Å; I597-I637 PolarHBondContact O-N 3.48Å; I598-I637 WeakPolarHBondContact CA-O 3.46Å; I598-I637 HydrophobicContact CD1-CD1 4Å; I598-I637 HydrophobicContact CG1-CB 4.18Å; I598-I637 HydrophobicContact CG1-CD1 4.19Å; I598-I637 HydrophobicContact CG2-CB 4.35Å; I598-I637 HydrophobicContact CG2-CG2 4.4Å; I599-I637 PolarHBondContact N-O 3.34Å |
| 638 | L | 90.3 | Very high | 74.3 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 138.7 | 166.4 | -66.8 | -167.2 | 0 | 0 | 0 | 109.4 | M494 L495 V496 L576 I599 I602 L621 L626 L636 | M494-L638 PolarHBondContact O-N 3.44Å; L495-L638 HydrophobicContact CD1-CB 4.05Å; V496-L638 PolarHBondContact N-O 2.97Å; L576-L638 HydrophobicContact CD2-CD2 3.96Å; I599-L638 HydrophobicContact CB-CD2 3.85Å; I599-L638 HydrophobicContact CD1-CD2 4.37Å; I599-L638 HydrophobicContact CG2-CD2 4.44Å; I599-L638 CarbonylContact O-C 3.59Å; I599-L638 WeakPolarHBondContact O-CA 3.16Å; I602-L638 HydrophobicContact CG2-CB 4.13Å; I602-L638 HydrophobicContact CG2-CD1 4.46Å; I602-L638 HydrophobicContact CG2-CD2 4.17Å; I602-L638 HydrophobicContact CG2-CG 4.49Å; L621-L638 HydrophobicContact CD2-CD1 3.93Å; L626-L638 HydrophobicContact CD1-CD1 4.21Å; L626-L638 HydrophobicContact CD2-CD1 3.73Å; L626-L638 HydrophobicContact CD2-CG 4.49Å; L626-L638 HydrophobicContact CG-CD1 4.33Å; L636-L638 HydrophobicContact CD1-CD2 4.22Å; L636-L638 HydrophobicContact CD2-CD2 4.39Å; L636-L638 HydrophobicContact CD2-CG 4.43Å; L636-L638 HydrophobicContact CG-CD2 4.35Å |
| 639 | S | 90.8 | Very high | 72.5 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140.2 | 176.2 | 46.1 | 0 | 0 | 0 | 0 | 113.3 | V496 N515 A518 I599 G600 G601 I602 | V496-S639 VanDerWaalsContact O-CA 3.3Å; V496-S639 WeakPolarHBondContact O-CA 3.22Å; N515-S639 WeakPolarHBondContact OD1-CB 3.45Å; N515-S639 PolarHBondContact OD1-O 2.84Å; N515-S639 PolarHBondContact OD1-OG 3.42Å; A518-S639 WeakPolarHBondContact CB-OG 3.48Å; I599-S639 PolarHBondContact O-N 2.87Å; I599-S639 PolarHBondContact O-OG 3.4Å; G600-S639 CarbonylContact C-O 3.55Å; G600-S639 WeakPolarHBondContact CA-O 3.22Å; G600-S639 VanDerWaalsContact CA-OG 3.28Å; G600-S639 WeakPolarHBondContact CA-OG 3.18Å; G601-S639 PolarHBondContact N-O 3.41Å; I602-S639 WeakPolarHBondContact CG1-O 3.39Å; I602-S639 PolarHBondContact N-O 3.3Å |
| 640 | G | 86.2 | Confident | 70.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.9 | 176.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V496 Y497 S498 C512 E603 | V496-G640 PolarHBondContact O-N 2.78Å; Y497-G640 VanDerWaalsContact CA-O 3.31Å; Y497-G640 WeakPolarHBondContact CA-O 3.29Å; S498-G640 PolarHBondContact N-O 2.87Å; C512-G640 WeakPolarHBondContact SG-CA 3.34Å; E603-G640 WeakPolarHBondContact OE2-CA 3.3Å |
| 641 | N | 80.7 | Confident | 68.3 | Low | 20 Ų | 20 | 69.5 Ų | 69.5 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 145.7 | 171.8 | -66.4 | -48.1 | 0 | 0 | 0 | 111.7 | S498 Q510 C512 E603 | S498-N641 CarbonylContact O-C 3.57Å; S498-N641 WeakPolarHBondContact O-CA 3.39Å; Q510-N641 PolarHBondContact O-ND2 3.27Å; C512-N641 WeakPolarHBondContact CB-ND2 3.41Å; E603-N641 VanDerWaalsContact CD-N 3.28Å; E603-N641 VanDerWaalsContact OE1-CB 3.27Å; E603-N641 WeakPolarHBondContact OE1-CB 3.45Å; E603-N641 PolarHBondContact OE1-N 3.45Å; E603-N641 PolarHBondContact OE1-ND2 3.05Å; E603-N641 PolarHBondContact OE2-N 3.35Å |
| 642 | L | 75.5 | Confident | 66.3 | Low | 13 Ų | 13 | 71.3 Ų | 71.3 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.5 | 171.8 | -69.3 | -177.8 | 0 | 0 | 0 | 111.3 | Y497 S498 T499 C500 L618 L621 I662 L664 | Y497-L642 HydrophobicContact CD2-CB 4.41Å; Y497-L642 HydrophobicContact CD2-CD1 3.71Å; Y497-L642 HydrophobicContact CD2-CG 4.31Å; Y497-L642 HydrophobicContact CE2-CD1 4.4Å; Y497-L642 HydrophobicContact CG-CD1 3.76Å; Y497-L642 HydrophobicContact CG-CG 4.4Å; S498-L642 PolarHBondContact O-N 2.86Å; T499-L642 WeakPolarHBondContact CA-O 3.42Å; C500-L642 PolarHBondContact N-O 3.39Å; L618-L642 HydrophobicContact CD1-CD2 3.56Å; L618-L642 HydrophobicContact CG-CD2 3.94Å; L621-L642 HydrophobicContact CD1-CD1 4.44Å; L621-L642 HydrophobicContact CD1-CD2 3.89Å; L642-I662 HydrophobicContact CD1-CG2 4.4Å; L642-L664 HydrophobicContact CD1-CD2 4.05Å |
| 643 | T | 67.6 | Low | 64.1 | Low | 89 Ų | 89 | 76.1 Ų | 76.1 | 55% | 0.546 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 141.8 | 177.8 | 47.7 | 0 | 0 | 0 | 0 | 111.3 | T502 | T502-T643 HydrophobicContact CG2-CG2 4.22Å |
| 644 | M | 60.6 | Low | 62.1 | Low | 63 Ų | 63 | 80.6 Ų | 80.6 | 31% | 0.31 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -88.6 | 120.2 | 174.2 | -65.4 | -167.1 | 75 | 0 | 0 | 111.6 | T502 D660 I662 | T502-M644 WeakPolarHBondContact CG2-O 3.47Å; T502-M644 PolarHBondContact OG1-O 2.71Å; T502-M644 VanDerWaalsContact OG1-O 3.06Å; M644-D660 HydrophobicContact CE-CB 4.11Å; M644-I662 HydrophobicContact CE-CG1 4.1Å; M644-I662 HydrophobicContact CG-CD1 4.21Å; M644-I662 HydrophobicContact CG-CG1 4.1Å |
| 645 | T | 52.6 | Low | 59.5 | Low | 66 Ų | 66 | 89.6 Ų | 89.6 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 152.1 | 173.1 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 646 | K | 47 | Very low | 56.8 | Low | 169 Ų | 169 | 97.1 Ų | 97.1 | 74% | 0.735 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -100.7 | 121.5 | 174.1 | -73 | -166.9 | 169.8 | -164.9 | 0 | 110.6 | ||
| 647 | L | 46.9 | Very low | 54.3 | Low | 145 Ų | 145 | 106.1 Ų | 106.1 | 76% | 0.759 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 136.8 | 171.5 | -67.2 | 168.5 | 0 | 0 | 0 | 110.5 | ||
| 648 | K | 41.3 | Very low | 51.4 | Low | 190 Ų | 190 | 113.9 Ų | 113.9 | 83% | 0.826 | 59% | 0.589 | S | S | * | * | trans | -118.4 | 119 | 168.4 | -71.2 | 176.4 | -179.6 | 168.3 | 0 | 108.5 | ||||
| 649 | E | 36.6 | Very low | 49.2 | Very low | 192 Ų | 192 | 119 Ų | 119 | 90% | 0.897 | 63% | 0.625 | S | S | * | * | trans | -104.5 | 138.2 | 163.6 | -70.9 | -161.2 | 137.9 | 0 | 0 | 110.6 | ||||
| 650 | N | 34.9 | Very low | 47.1 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 83% | 0.834 | 65% | 0.653 | S | S | * | * | trans | -105.9 | 90.1 | 174.8 | -70.2 | -45.2 | 0 | 0 | 0 | 109.3 | ||||
| 651 | I | 38.8 | Very low | 45.5 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 89% | 0.892 | 68% | 0.678 | S | S | * | * | trans | -155.4 | 150.2 | 162.3 | -95.7 | 135.8 | 0 | 0 | 0 | 107.5 | ||||
| 652 | G | 35.2 | Very low | 44.4 | Very low | 65 Ų | 65 | 128.3 Ų | 128.3 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | trans | -86.5 | 158.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 653 | E | 29.5 | Very low | 43.7 | Very low | 191 Ų | 191 | 132 Ų | 132 | 89% | 0.893 | 71% | 0.705 | S | S | * | * | trans | 57.8 | 77 | 153 | -58.1 | -171.8 | 170.6 | 0 | 0 | 119 | ||||
| 654 | S | 35.5 | Very low | 43.9 | Very low | 129 Ų | 129 | 130.3 Ų | 130.3 | 90% | 0.902 | 69% | 0.693 | S | S | * | * | -178.6 | 158.4 | 120.4 | 35.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 655 | E | 30.4 | Very low | 44.2 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 91% | 0.911 | 68% | 0.682 | S | S | * | * | trans | -83.8 | 121.2 | -173.4 | -58.5 | 175.9 | 131.4 | 0 | 0 | 112.6 | ||||
| 656 | M | 31.8 | Very low | 45.1 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 89% | 0.887 | 71% | 0.705 | S | S | * | * | trans | -156.6 | 169.4 | 155 | -122.5 | 177.5 | 168.3 | 0 | 0 | 112.4 | ||||
| 657 | E | 37 | Very low | 46.4 | Very low | 190 Ų | 190 | 124.5 Ų | 124.5 | 89% | 0.888 | 68% | 0.675 | S | S | * | * | trans | -68.5 | 140.4 | -157.4 | -60.1 | 174.6 | 134.1 | 0 | 0 | 115.3 | ||||
| 658 | I | 31.4 | Very low | 47.9 | Very low | 163 Ų | 163 | 118.2 Ų | 118.2 | 84% | 0.836 | 64% | 0.644 | S | S | * | * | trans | -91.9 | 125.3 | 176.5 | -56.9 | 171.7 | 0 | 0 | 0 | 109.8 | ||||
| 659 | S | 42.2 | Very low | 50 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | trans | -107.9 | 115.5 | 171.4 | 57.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 660 | D | 46.7 | Very low | 52.4 | Low | 112 Ų | 112 | 106.5 Ų | 106.5 | 60% | 0.599 | 60% | 0.596 | S | S | * | * | trans | -65.3 | 131.8 | 167 | -69.6 | -46.6 | 0 | 0 | 0 | 109.5 | M644 | M644-D660 HydrophobicContact CE-CB 4.11Š| ||
| 661 | G | 52.7 | Low | 55 | Low | 50 Ų | 50 | 100.3 Ų | 100.3 | 52% | 0.515 | 56% | 0.563 | S | S | . | * | trans | -156.3 | 144.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 662 | I | 59.3 | Low | 57.3 | Low | 54 Ų | 54 | 96.1 Ų | 96.1 | 28% | 0.277 | 54% | 0.539 | S | S | . | . | trans | -92.1 | 127.3 | 176.7 | -56.7 | 177 | 0 | 0 | 0 | 109.1 | Y497 T499 L642 M644 L664 | Y497-I662 HydrophobicContact CE2-CD1 4.31Å; T499-I662 HydrophobicContact CG2-CD1 3.59Å; L642-I662 HydrophobicContact CD1-CG2 4.4Å; M644-I662 HydrophobicContact CE-CG1 4.1Å; M644-I662 HydrophobicContact CG-CD1 4.21Å; M644-I662 HydrophobicContact CG-CG1 4.1Å; I662-L664 VanDerWaalsContact C-N 3.27Å; I662-L664 HydrophobicContact CB-CG 4.42Å; I662-L664 HydrophobicContact CG2-CD2 3.79Å; I662-L664 HydrophobicContact CG2-CG 4Å; I662-L664 PolarHBondContact O-N 2.75Å | ||
| 663 | L | 60.9 | Low | 59.6 | Low | 90 Ų | 90 | 93 Ų | 93 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | trans | -76.1 | 77.8 | 171.9 | -76.9 | 169.3 | 0 | 0 | 0 | 110.5 | L617 | L617-L663 HydrophobicContact CD1-CB 4.29Å; L617-L663 VanDerWaalsContact CD2-O 3.27Å; L617-L663 WeakPolarHBondContact CD2-O 3.31Å; L617-L663 HydrophobicContact CG-CB 4.29Å; L617-L663 WeakPolarHBondContact CG-O 3.33Å | ||
| 664 | L | 70.4 | Confident | 61.8 | Low | 54 Ų | 54 | 87 Ų | 87 | 28% | 0.283 | 49% | 0.486 | S | S | . | . | trans | -71.4 | 139 | 174.7 | -64.9 | 172.7 | 0 | 0 | 0 | 111.3 | Y497 L642 I662 T666 N670 | Y497-L664 HydrophobicContact CD1-CD2 4.37Å; Y497-L664 HydrophobicContact CE1-CD1 4.3Å; Y497-L664 HydrophobicContact CE1-CD2 3.88Å; Y497-L664 HydrophobicContact CE2-CD2 4.27Å; Y497-L664 WeakPolarHBondContact OH-CD1 3.46Å; L642-L664 HydrophobicContact CD1-CD2 4.05Å; I662-L664 VanDerWaalsContact C-N 3.27Å; I662-L664 HydrophobicContact CB-CG 4.42Å; I662-L664 HydrophobicContact CG2-CD2 3.79Å; I662-L664 HydrophobicContact CG2-CG 4Å; I662-L664 PolarHBondContact O-N 2.75Å; L664-T666 PolarHBondContact O-N 3.06Å; L664-N670 HydrophobicContact CD1-CB 4.26Å | ||
| 665 | P | 66.5 | Low | 63.4 | Low | 12 Ų | 12 | 85 Ų | 85 | 8% | 0.078 | 47% | 0.471 | C | S | . | . | trans | -63.8 | 130.6 | 175.8 | 24.6 | -32.9 | 0 | 0 | 0 | 111.7 | L495 L621 T667 S668 N670 | L495-P665 HydrophobicContact CD2-CG 4.04Å; L621-P665 HydrophobicContact CB-CG 4.24Å; P665-T667 PolarHBondContact O-N 2.98Å; P665-S668 WeakPolarHBondContact CG-OG 3.42Å; P665-N670 PolarHBondContact O-ND2 2.83Å; P665-N670 VanDerWaalsContact O-ND2 3.15Å | ||
| 666 | T | 72.8 | Confident | 65 | Low | 145 Ų | 145 | 80.2 Ų | 80.2 | 89% | 0.89 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 7.4 | 177.4 | 64.4 | 0 | 0 | 0 | 0 | 113.4 | L664 | L664-T666 PolarHBondContact O-N 3.06Š|
| 667 | T | 73.4 | Confident | 66.9 | Low | 19 Ų | 19 | 73.5 Ų | 73.5 | 12% | 0.117 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -1.3 | -177.8 | 49.3 | 0 | 0 | 0 | 0 | 113.6 | R628 P665 | R628-T667 HydrophobicContact CG-CG2 3.96Å; P665-T667 PolarHBondContact O-N 2.98Å |
| 668 | S | 78.2 | Confident | 68.7 | Low | 14 Ų | 14 | 67.2 Ų | 67.2 | 10% | 0.098 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -128.8 | 156.7 | 177.9 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | P493 P665 N670 | P493-S668 CarbonylContact O-C 3.59Å; P493-S668 WeakPolarHBondContact O-CA 3.47Å; P493-S668 WeakPolarHBondContact O-CB 3.38Å; P665-S668 WeakPolarHBondContact CG-OG 3.42Å; S668-N670 PolarHBondContact O-ND2 3.49Å; S668-N670 PolarHBondContact O-OD1 3.27Å; S668-N670 PolarHBondContact OG-OD1 3.24Å |
| 669 | L | 85.8 | Confident | 70.8 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.4 | 159.8 | -67.2 | 168.2 | 0 | 0 | 0 | 107.9 | Y482 V492 P493 M494 L495 | Y482-L669 HydrophobicContact CD2-CD1 3.96Å; Y482-L669 HydrophobicContact CE2-CD1 4.34Å; V492-L669 HydrophobicContact CG2-CD1 4.02Å; V492-L669 HydrophobicContact CG2-CG 3.75Å; P493-L669 PolarHBondContact O-N 3.4Å; M494-L669 CarbonylContact C-O 3.53Å; M494-L669 WeakPolarHBondContact CA-O 3.18Å; M494-L669 HydrophobicContact CE-CB 3.59Å; M494-L669 HydrophobicContact CE-CD1 3.87Å; M494-L669 HydrophobicContact CE-CG 4.37Å; L495-L669 PolarHBondContact N-O 3.47Å |
| 670 | N | 86.6 | Confident | 72.2 | Confident | 60 Ų | 60 | 58 Ų | 58 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.5 | -170.1 | -57 | -39.2 | 0 | 0 | 0 | 110.1 | L495 Y497 L664 P665 S668 | L495-N670 CarbonylContact O-C 3.55Å; L495-N670 WeakPolarHBondContact O-CA 3.4Å; Y497-N670 HydrophobicContact CE1-CB 4.24Å; L664-N670 HydrophobicContact CD1-CB 4.26Å; P665-N670 PolarHBondContact O-ND2 2.83Å; P665-N670 VanDerWaalsContact O-ND2 3.15Å; S668-N670 PolarHBondContact O-ND2 3.49Å; S668-N670 PolarHBondContact O-OD1 3.27Å; S668-N670 PolarHBondContact OG-OD1 3.24Å |
| 671 | L | 89.8 | Confident | 73.5 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 111.9 | -177.2 | 176.3 | 61.8 | 0 | 0 | 0 | 109.8 | T478 L479 L495 V496 Y497 | T478-L671 HydrophobicContact CG2-CD1 4.35Å; T478-L671 HydrophobicContact CG2-CD2 4.32Å; L479-L671 HydrophobicContact CD1-CD2 4.35Å; L479-L671 HydrophobicContact CD2-CD2 4.46Å; L479-L671 HydrophobicContact CG-CD2 4.01Å; L495-L671 PolarHBondContact O-N 2.72Å; V496-L671 WeakPolarHBondContact CA-O 3.26Å; V496-L671 HydrophobicContact CG1-CD2 4.43Å; V496-L671 HydrophobicContact CG2-CD2 4.39Å; Y497-L671 WeakPolarHBondContact CD1-O 3.41Å; Y497-L671 PolarHBondContact N-O 3.1Å |
| 672 | E | 87 | Confident | 74.9 | Confident | 85 Ų | 85 | 53 Ų | 53 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130 | 176.2 | -167 | 172.7 | 178.2 | 0 | 0 | 111.3 | Y497 T499 C674 | Y497-E672 HydrophobicContact CD2-CG 4.21Å; Y497-E672 HydrophobicContact CE1-CB 3.97Å; Y497-E672 HydrophobicContact CE2-CB 3.95Å; Y497-E672 HydrophobicContact CE2-CG 3.63Å; Y497-E672 CarbonylContact O-C 3.53Å; Y497-E672 WeakPolarHBondContact O-CA 3.24Å; T499-E672 HydrophobicContact CG2-CG 4.41Å; T499-E672 WeakPolarHBondContact CG2-OE1 3.37Å; T499-E672 PolarHBondContact OG1-OE1 3.2Å; E672-C674 PolarHBondContact OE1-SG 3.43Å |
| 673 | V | 84.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -113.8 | 86.2 | 177.7 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | Y472 V496 Y497 S498 L513 V517 | Y472-V673 HydrophobicContact CD1-CG1 4.26Å; V496-V673 HydrophobicContact CG1-CG2 3.47Å; V496-V673 VanDerWaalsContact CG1-CG2 3.47Å; Y497-V673 PolarHBondContact O-N 3.48Å; S498-V673 PolarHBondContact OG-O 3.04Å; L513-V673 HydrophobicContact CD2-CG1 3.79Å; L513-V673 HydrophobicContact CG-CG1 3.74Å; V517-V673 HydrophobicContact CB-CG2 4.49Å; V517-V673 HydrophobicContact CG2-CG1 3.76Å; V517-V673 HydrophobicContact CG2-CG2 4.38Å | ||
| 674 | C | 75.3 | Confident | 76.7 | Confident | 66 Ų | 66 | 49.8 Ų | 49.8 | 45% | 0.446 | 29% | 0.294 | S | S | . | . | trans | -73.7 | 133.2 | 174.6 | -79.6 | 0 | 0 | 0 | 0 | 111.9 | E672 K676 | E672-C674 PolarHBondContact OE1-SG 3.43Å; C674-K676 PolarHBondContact O-N 2.92Å | ||
| 675 | S | 67.7 | Low | 77.3 | Confident | 85 Ų | 85 | 47.2 Ų | 47.2 | 59% | 0.594 | 28% | 0.281 | S | S | * | . | trans | -70.4 | 128.8 | 169.6 | 81.5 | 0 | 0 | 0 | 0 | 110.4 | G677 | S675-G677 PolarHBondContact O-N 2.81Š| ||
| 676 | K | 65.8 | Low | 78.2 | Confident | 95 Ų | 95 | 48.7 Ų | 48.7 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | trans | -82.1 | 26.1 | -176.2 | -65.9 | 161.7 | -172.8 | 159 | 0 | 112.5 | Y472 E475 C674 S679 G680 | Y472-K676 HydrophobicContact CE1-CD 4.09Å; Y472-K676 HydrophobicContact CE1-CG 4.48Å; E475-K676 IonicContact OE1-NZ 3.86Å; E475-K676 PolarHBondContact OE1-NZ 3.08Å; E475-K676 IonicContact OE2-NZ 2.66Å; C674-K676 PolarHBondContact O-N 2.92Å; K676-S679 PolarHBondContact O-N 3.29Å; K676-S679 PolarHBondContact O-OG 3Å; K676-G680 PolarHBondContact O-N 2.81Å | ||
| 677 | G | 70.3 | Confident | 78.6 | Confident | 39 Ų | 39 | 44 Ų | 44 | 40% | 0.402 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | 50.6 | -139.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S675 S679 G680 G681 | S675-G677 PolarHBondContact O-N 2.81Å; G677-S679 PolarHBondContact O-N 2.92Å; G677-G680 WeakPolarHBondContact O-CA 3.03Å; G677-G680 PolarHBondContact O-N 3.07Å; G677-G681 PolarHBondContact O-N 2.99Å |
| 678 | L | 74.8 | Confident | 78.9 | Confident | 58 Ų | 58 | 43.6 Ų | 43.6 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -50.4 | -42 | 174.8 | -166.1 | 90.6 | 0 | 0 | 0 | 112.5 | G680 G681 F682 F708 Q709 | L678-G680 VanDerWaalsContact C-N 3.34Å; L678-G680 PolarHBondContact O-N 3.15Å; L678-G681 PolarHBondContact O-N 2.93Å; L678-F682 WeakPolarHBondContact O-CB 3.42Å; L678-F682 PolarHBondContact O-N 3.14Å; L678-F708 HydrophobicContact CD1-CB 4.07Å; L678-F708 WeakPolarHBondContact CD1-O 3.34Å; L678-Q709 HydrophobicContact CD1-CB 4.48Å |
| 679 | S | 76.1 | Confident | 79 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 51% | 0.51 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.6 | -34.4 | -179.9 | 77.3 | 0 | 0 | 0 | 0 | 112.3 | K676 G677 T683 | K676-S679 PolarHBondContact O-N 3.29Å; K676-S679 PolarHBondContact O-OG 3Å; G677-S679 PolarHBondContact O-N 2.92Å; S679-T683 VanDerWaalsContact O-CB 3.27Å; S679-T683 WeakPolarHBondContact O-CB 3.35Å; S679-T683 PolarHBondContact O-N 3.18Å; S679-T683 PolarHBondContact O-OG1 3.24Å |
| 680 | G | 70.9 | Confident | 78.8 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | K676 G677 L678 T683 N684 | K676-G680 PolarHBondContact O-N 2.81Å; G677-G680 WeakPolarHBondContact O-CA 3.03Å; G677-G680 PolarHBondContact O-N 3.07Å; L678-G680 VanDerWaalsContact C-N 3.34Å; L678-G680 PolarHBondContact O-N 3.15Å; G680-T683 PolarHBondContact O-N 2.89Å; G680-N684 VanDerWaalsContact O-CB 3.24Å; G680-N684 WeakPolarHBondContact O-CB 3.46Å; G680-N684 PolarHBondContact O-N 2.91Å |
| 681 | G | 75 | Confident | 78.3 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58 | -50.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G677 L678 T683 N684 C685 A721 | G677-G681 PolarHBondContact O-N 2.99Å; L678-G681 PolarHBondContact O-N 2.93Å; G681-T683 PolarHBondContact O-N 2.86Å; G681-N684 PolarHBondContact O-N 3Å; G681-C685 PolarHBondContact O-N 3.25Å; G681-A721 VanDerWaalsContact O-CB 3.27Å; G681-A721 WeakPolarHBondContact O-CB 3.44Å |
| 682 | F | 82.6 | Confident | 77.6 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 177.7 | -168.6 | -89.1 | 0 | 0 | 0 | 112.1 | L678 N684 C685 M686 L701 V704 H705 F708 | L678-F682 WeakPolarHBondContact O-CB 3.42Å; L678-F682 PolarHBondContact O-N 3.14Å; F682-N684 VanDerWaalsContact C-N 3.33Å; F682-N684 PolarHBondContact O-N 3.19Å; F682-C685 PolarHBondContact O-N 2.88Å; F682-M686 HydrophobicContact CD1-CG 3.88Å; F682-M686 HydrophobicContact CE1-CG 3.58Å; F682-M686 HydrophobicContact CE1-SD 4.4Å; F682-M686 HydrophobicContact CZ-CG 4.08Å; F682-M686 HydrophobicContact CZ-SD 4.35Å; F682-M686 WeakPolarHBondContact O-CB 3.44Å; F682-M686 WeakPolarHBondContact O-CG 3.39Å; F682-M686 PolarHBondContact O-N 2.89Å; F682-L701 HydrophobicContact CZ-CD2 3.95Å; F682-V704 HydrophobicContact CE2-CG1 4.36Å; F682-H705 HydrophobicContact CE2-CB 4.23Å; F682-F708 HydrophobicContact CD2-CD2 4.15Å |
| 683 | T | 80.2 | Confident | 77 | Confident | 74 Ų | 74 | 53 Ų | 53 | 45% | 0.454 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 178.1 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | S679 G680 G681 H687 | S679-T683 VanDerWaalsContact O-CB 3.27Å; S679-T683 WeakPolarHBondContact O-CB 3.35Å; S679-T683 PolarHBondContact O-N 3.18Å; S679-T683 PolarHBondContact O-OG1 3.24Å; G680-T683 PolarHBondContact O-N 2.89Å; G681-T683 PolarHBondContact O-N 2.86Å; T683-H687 VanDerWaalsContact O-CB 3.25Å; T683-H687 WeakPolarHBondContact O-CB 3.36Å; T683-H687 PolarHBondContact O-N 3.44Å |
| 684 | N | 77.3 | Confident | 76.6 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.011 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 177.3 | -169.1 | -2.8 | 0 | 0 | 0 | 112.2 | P467 V468 G680 G681 F682 H687 N688 P718 | P467-N684 PolarHBondContact O-OD1 3.22Å; V468-N684 PolarHBondContact O-ND2 3.18Å; G680-N684 VanDerWaalsContact O-CB 3.24Å; G680-N684 WeakPolarHBondContact O-CB 3.46Å; G680-N684 PolarHBondContact O-N 2.91Å; G681-N684 PolarHBondContact O-N 3Å; F682-N684 VanDerWaalsContact C-N 3.33Å; F682-N684 PolarHBondContact O-N 3.19Å; N684-H687 PolarHBondContact O-N 2.85Å; N684-N688 PolarHBondContact O-N 2.86Å; N684-N688 VanDerWaalsContact O-N 3.07Å; N684-N688 PolarHBondContact O-ND2 3.04Å; N684-N688 PolarHBondContact OD1-ND2 3.28Å; N684-P718 PolarHBondContact ND2-O 2.98Å |
| 685 | C | 82.5 | Confident | 76.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 173.8 | -171.7 | 0 | 0 | 0 | 0 | 111.4 | G681 F682 N688 L689 F708 A721 | G681-C685 PolarHBondContact O-N 3.25Å; F682-C685 PolarHBondContact O-N 2.88Å; C685-N688 PolarHBondContact O-N 3.37Å; C685-L689 WeakPolarHBondContact O-CG 3.36Å; C685-L689 PolarHBondContact O-N 3.35Å; C685-F708 HydrophobicContact CB-CE2 3.53Å; C685-F708 HydrophobicContact CB-CZ 3.57Å; C685-A721 HydrophobicContact CB-CB 4.26Å |
| 686 | M | 85.2 | Confident | 76.8 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 21% | 0.207 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -38.3 | 178.8 | -69.1 | -53.3 | -56.6 | 0 | 0 | 112.8 | F682 L689 T690 L696 L701 | F682-M686 HydrophobicContact CD1-CG 3.88Å; F682-M686 HydrophobicContact CE1-CG 3.58Å; F682-M686 HydrophobicContact CE1-SD 4.4Å; F682-M686 HydrophobicContact CZ-CG 4.08Å; F682-M686 HydrophobicContact CZ-SD 4.35Å; F682-M686 WeakPolarHBondContact O-CB 3.44Å; F682-M686 WeakPolarHBondContact O-CG 3.39Å; F682-M686 PolarHBondContact O-N 2.89Å; M686-L689 PolarHBondContact O-N 3.27Å; M686-L689 HydrophobicContact SD-CD1 3.98Å; M686-T690 PolarHBondContact O-N 2.85Å; M686-T690 PolarHBondContact O-OG1 2.81Å; M686-T690 VanDerWaalsContact O-OG1 3.08Å; M686-L696 HydrophobicContact SD-CD1 4.09Å; M686-L701 HydrophobicContact CE-CD2 3.83Å; M686-L701 HydrophobicContact SD-CD2 3.61Å |
| 687 | H | 82.2 | Confident | 77.5 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 22% | 0.222 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.8 | -50.1 | 174.8 | -179.7 | 98.6 | 0 | 0 | 0 | 110.7 | S470 T683 N684 L689 T690 K691 | S470-H687 PolarHBondContact O-CE1 3.13Å; S470-H687 VanDerWaalsContact O-CE1 3.31Å; S470-H687 PolarHBondContact OG-CD2 3.46Å; S470-H687 PolarHBondContact OG-NE2 2.95Å; T683-H687 VanDerWaalsContact O-CB 3.25Å; T683-H687 WeakPolarHBondContact O-CB 3.36Å; T683-H687 PolarHBondContact O-N 3.44Å; N684-H687 PolarHBondContact O-N 2.85Å; H687-L689 VanDerWaalsContact C-N 3.33Å; H687-L689 PolarHBondContact O-N 3.45Å; H687-T690 WeakPolarHBondContact CA-OG1 3.33Å; H687-T690 PolarHBondContact O-N 3.47Å; H687-T690 PolarHBondContact O-OG1 2.96Å; H687-K691 WeakPolarHBondContact O-CB 3.28Å; H687-K691 PolarHBondContact O-N 2.95Å |
| 688 | N | 79.7 | Confident | 78 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.048 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 177.7 | -82.4 | -77.9 | 0 | 0 | 0 | 112.4 | P467 N684 C685 K691 L692 S726 | P467-N688 PolarHBondContact O-ND2 3.45Å; P467-N688 VanDerWaalsContact O-ND2 3.12Å; N684-N688 PolarHBondContact O-N 2.86Å; N684-N688 VanDerWaalsContact O-N 3.07Å; N684-N688 PolarHBondContact O-ND2 3.04Å; N684-N688 PolarHBondContact OD1-ND2 3.28Å; C685-N688 PolarHBondContact O-N 3.37Å; N688-K691 PolarHBondContact O-N 2.77Å; N688-L692 WeakPolarHBondContact O-CG 3.48Å; N688-L692 PolarHBondContact O-N 3.22Å; N688-L692 VanDerWaalsContact O-N 3.09Å; N688-S726 VanDerWaalsContact CB-OG 3.3Å; N688-S726 WeakPolarHBondContact CB-OG 3.38Å; N688-S726 VanDerWaalsContact CG-OG 3.25Å; N688-S726 PolarHBondContact OD1-OG 2.98Å; N688-S726 VanDerWaalsContact OD1-OG 3.05Å |
| 689 | L | 80.5 | Confident | 78 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 172.8 | -74.6 | 164.8 | 0 | 0 | 0 | 112.3 | C685 M686 H687 K691 L692 N693 H694 L696 G725 L729 P730 | C685-L689 WeakPolarHBondContact O-CG 3.36Å; C685-L689 PolarHBondContact O-N 3.35Å; M686-L689 PolarHBondContact O-N 3.27Å; M686-L689 HydrophobicContact SD-CD1 3.98Å; H687-L689 VanDerWaalsContact C-N 3.33Å; H687-L689 PolarHBondContact O-N 3.45Å; L689-K691 VanDerWaalsContact C-N 3.32Å; L689-K691 PolarHBondContact O-N 3Å; L689-L692 CarbonylContact O-C 3.53Å; L689-L692 WeakPolarHBondContact O-CA 3.4Å; L689-L692 PolarHBondContact O-N 2.93Å; L689-L692 VanDerWaalsContact O-N 3.1Å; L689-N693 PolarHBondContact O-N 3.02Å; L689-H694 CarbonylContact C-O 3.52Å; L689-H694 HydrophobicContact CD2-CB 4.03Å; L689-H694 PolarHBondContact O-N 3.07Å; L689-L696 HydrophobicContact CD1-CD1 3.72Å; L689-L696 HydrophobicContact CD1-CG 4.08Å; L689-G725 WeakPolarHBondContact CD2-O 3.48Å; L689-L729 HydrophobicContact CD1-CD1 4.04Å; L689-L729 HydrophobicContact CD2-CB 4Å; L689-P730 HydrophobicContact CD2-CG 4.16Å |
| 690 | T | 81 | Confident | 78 | Confident | 82 Ų | 82 | 58.3 Ų | 58.3 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 175.3 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | M686 H687 L692 N693 | M686-T690 PolarHBondContact O-N 2.85Å; M686-T690 PolarHBondContact O-OG1 2.81Å; M686-T690 VanDerWaalsContact O-OG1 3.08Å; H687-T690 WeakPolarHBondContact CA-OG1 3.33Å; H687-T690 PolarHBondContact O-N 3.47Å; H687-T690 PolarHBondContact O-OG1 2.96Å; T690-L692 PolarHBondContact O-N 2.86Å; T690-N693 WeakPolarHBondContact O-CA 3.19Å; T690-N693 PolarHBondContact O-N 2.82Å |
| 691 | K | 76 | Confident | 78.5 | Confident | 129 Ų | 129 | 60.2 Ų | 60.2 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.8 | -23.7 | 174 | -167.1 | 169.6 | -175 | 169.5 | 0 | 112.6 | H687 N688 L689 | H687-K691 WeakPolarHBondContact O-CB 3.28Å; H687-K691 PolarHBondContact O-N 2.95Å; N688-K691 PolarHBondContact O-N 2.77Å; L689-K691 VanDerWaalsContact C-N 3.32Å; L689-K691 PolarHBondContact O-N 3Å |
| 692 | L | 74.6 | Confident | 78.9 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 8.4 | 170.4 | -66 | 175.3 | 0 | 0 | 0 | 113.5 | N688 L689 T690 H694 P730 | N688-L692 WeakPolarHBondContact O-CG 3.48Å; N688-L692 PolarHBondContact O-N 3.22Å; N688-L692 VanDerWaalsContact O-N 3.09Å; L689-L692 CarbonylContact O-C 3.53Å; L689-L692 WeakPolarHBondContact O-CA 3.4Å; L689-L692 PolarHBondContact O-N 2.93Å; L689-L692 VanDerWaalsContact O-N 3.1Å; T690-L692 PolarHBondContact O-N 2.86Å; L692-H694 PolarHBondContact O-N 3.01Å; L692-P730 HydrophobicContact CD1-CB 4.47Å; L692-P730 HydrophobicContact CD1-CG 3.72Å |
| 693 | N | 74.1 | Confident | 78.6 | Confident | 156 Ų | 156 | 63.8 Ų | 63.8 | 83% | 0.834 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 25.1 | -173.4 | -68.7 | -53.9 | 0 | 0 | 0 | 114.9 | L689 T690 | L689-N693 PolarHBondContact O-N 3.02Å; T690-N693 WeakPolarHBondContact O-CA 3.19Å; T690-N693 PolarHBondContact O-N 2.82Å |
| 694 | H | 76.2 | Confident | 78.6 | Confident | 58 Ų | 58 | 60.3 Ų | 60.3 | 27% | 0.269 | 33% | 0.325 | S | S | . | . | trans | -97.5 | 130.7 | 179.6 | -146.6 | -66.2 | 0 | 0 | 0 | 111.2 | L689 L692 | L689-H694 CarbonylContact C-O 3.52Å; L689-H694 HydrophobicContact CD2-CB 4.03Å; L689-H694 PolarHBondContact O-N 3.07Å; L692-H694 PolarHBondContact O-N 3.01Å | ||
| 695 | C | 72.5 | Confident | 78.9 | Confident | 104 Ų | 104 | 64 Ų | 64 | 70% | 0.703 | 34% | 0.342 | S | S | * | . | trans | -103.9 | 161.4 | 171.2 | -67.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 696 | L | 76.3 | Confident | 78.9 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 12% | 0.115 | 36% | 0.363 | C | S | . | . | trans | -119.6 | 147.4 | 172.1 | -64.9 | 177.9 | 0 | 0 | 0 | 109.3 | M686 L689 Q700 L701 V704 | M686-L696 HydrophobicContact SD-CD1 4.09Å; L689-L696 HydrophobicContact CD1-CD1 3.72Å; L689-L696 HydrophobicContact CD1-CG 4.08Å; L696-Q700 HydrophobicContact CB-CB 4.02Å; L696-Q700 HydrophobicContact CD2-CB 4.22Å; L696-L701 HydrophobicContact CB-CD2 3.95Å; L696-L701 HydrophobicContact CB-CG 3.83Å; L696-L701 HydrophobicContact CD1-CD2 4.01Å; L696-V704 HydrophobicContact CD1-CB 4.41Å; L696-V704 HydrophobicContact CD1-CG2 3.95Å | ||
| 697 | T | 79.5 | Confident | 78.5 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 45% | 0.454 | 35% | 0.354 | S | S | . | . | trans | -73.5 | 165.5 | 170.3 | 71.9 | 0 | 0 | 0 | 0 | 111.1 | D699 Q700 L701 | T697-D699 VanDerWaalsContact C-N 3.27Å; T697-D699 PolarHBondContact O-N 2.81Å; T697-Q700 CarbonylContact O-C 3.56Å; T697-Q700 PolarHBondContact O-N 2.86Å; T697-Q700 VanDerWaalsContact O-N 3.11Å; T697-Q700 VanDerWaalsContact OG1-CG 3.28Å; T697-Q700 WeakPolarHBondContact OG1-CG 3.47Å; T697-Q700 PolarHBondContact OG1-N 3.41Å; T697-L701 WeakPolarHBondContact O-CB 3.38Å; T697-L701 WeakPolarHBondContact O-CG 3.45Å; T697-L701 PolarHBondContact O-N 3.42Å | ||
| 698 | N | 80.6 | Confident | 78.4 | Confident | 131 Ų | 131 | 64.4 Ų | 64.4 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -56.5 | -40.2 | 177.6 | -72.1 | -9.7 | 0 | 0 | 0 | 112.8 | L701 L702 | N698-L701 PolarHBondContact O-N 3.47Å; N698-L702 WeakPolarHBondContact O-CB 3.38Å; N698-L702 PolarHBondContact O-N 2.65Å |
| 699 | D | 75.5 | Confident | 78.5 | Confident | 125 Ų | 125 | 69.4 Ų | 69.4 | 67% | 0.668 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -69.2 | -37.6 | 177.6 | -54.6 | -51.6 | 0 | 0 | 0 | 111.7 | T697 L702 S703 | T697-D699 VanDerWaalsContact C-N 3.27Å; T697-D699 PolarHBondContact O-N 2.81Å; D699-L702 WeakPolarHBondContact O-CB 3.3Å; D699-L702 PolarHBondContact O-N 2.86Å; D699-S703 PolarHBondContact O-N 2.79Å; D699-S703 PolarHBondContact O-OG 3.5Å; D699-S703 VanDerWaalsContact O-OG 3.14Å |
| 700 | Q | 76.6 | Confident | 78.3 | Confident | 15 Ų | 15 | 74.7 Ų | 74.7 | 7% | 0.07 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.1 | -39 | 174.3 | -66.8 | 170.7 | -11.7 | 0 | 0 | 111.8 | L696 T697 L702 S703 V704 C734 I737 | L696-Q700 HydrophobicContact CB-CB 4.02Å; L696-Q700 HydrophobicContact CD2-CB 4.22Å; T697-Q700 CarbonylContact O-C 3.56Å; T697-Q700 PolarHBondContact O-N 2.86Å; T697-Q700 VanDerWaalsContact O-N 3.11Å; T697-Q700 VanDerWaalsContact OG1-CG 3.28Å; T697-Q700 WeakPolarHBondContact OG1-CG 3.47Å; T697-Q700 PolarHBondContact OG1-N 3.41Å; Q700-L702 VanDerWaalsContact C-N 3.3Å; Q700-L702 PolarHBondContact O-N 3.45Å; Q700-S703 PolarHBondContact O-N 3.42Å; Q700-V704 WeakPolarHBondContact O-CB 3.19Å; Q700-V704 VanDerWaalsContact O-CG2 3.3Å; Q700-V704 WeakPolarHBondContact O-CG2 3.39Å; Q700-V704 PolarHBondContact O-N 2.98Å; Q700-C734 PolarHBondContact NE2-O 3.31Å; Q700-I737 HydrophobicContact CB-CD1 4.15Å; Q700-I737 HydrophobicContact CG-CD1 3.82Å; Q700-I737 HydrophobicContact CG-CG1 4.4Å |
| 701 | L | 81.5 | Confident | 78 | Confident | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.236 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.3 | -40 | 172.1 | -72.4 | 164.7 | 0 | 0 | 0 | 110.9 | F682 M686 L696 T697 N698 V704 H705 | F682-L701 HydrophobicContact CZ-CD2 3.95Å; M686-L701 HydrophobicContact CE-CD2 3.83Å; M686-L701 HydrophobicContact SD-CD2 3.61Å; L696-L701 HydrophobicContact CB-CD2 3.95Å; L696-L701 HydrophobicContact CB-CG 3.83Å; L696-L701 HydrophobicContact CD1-CD2 4.01Å; T697-L701 WeakPolarHBondContact O-CB 3.38Å; T697-L701 WeakPolarHBondContact O-CG 3.45Å; T697-L701 PolarHBondContact O-N 3.42Å; N698-L701 PolarHBondContact O-N 3.47Å; L701-V704 PolarHBondContact O-N 2.88Å; L701-H705 WeakPolarHBondContact O-CB 3.39Å; L701-H705 PolarHBondContact O-N 3.21Å |
| 702 | L | 82.3 | Confident | 77.9 | Confident | 106 Ų | 106 | 68.1 Ų | 68.1 | 56% | 0.555 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 174 | -132.3 | 119.3 | 0 | 0 | 0 | 111.4 | N698 D699 Q700 V704 H705 Q706 | N698-L702 WeakPolarHBondContact O-CB 3.38Å; N698-L702 PolarHBondContact O-N 2.65Å; D699-L702 WeakPolarHBondContact O-CB 3.3Å; D699-L702 PolarHBondContact O-N 2.86Å; Q700-L702 VanDerWaalsContact C-N 3.3Å; Q700-L702 PolarHBondContact O-N 3.45Å; L702-V704 VanDerWaalsContact C-N 3.34Å; L702-V704 PolarHBondContact O-N 3.39Å; L702-H705 PolarHBondContact O-N 2.72Å; L702-Q706 WeakPolarHBondContact O-CB 3.46Å; L702-Q706 VanDerWaalsContact O-CG 3.32Å; L702-Q706 WeakPolarHBondContact O-CG 3.4Å; L702-Q706 PolarHBondContact O-N 3.22Å |
| 703 | S | 77.4 | Confident | 77.6 | Confident | 27 Ų | 27 | 72.7 Ų | 72.7 | 19% | 0.189 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.7 | -34.3 | 175.2 | -65.4 | 0 | 0 | 0 | 0 | 113.1 | D699 Q700 L707 I737 | D699-S703 PolarHBondContact O-N 2.79Å; D699-S703 PolarHBondContact O-OG 3.5Å; D699-S703 VanDerWaalsContact O-OG 3.14Å; Q700-S703 PolarHBondContact O-N 3.42Å; S703-L707 WeakPolarHBondContact O-CB 3.33Å; S703-L707 PolarHBondContact O-N 3.15Å; S703-I737 PolarHBondContact OG-O 3.45Å |
| 704 | V | 79.4 | Confident | 77.2 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -77 | -34.8 | 175.9 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | F682 L696 Q700 L701 L702 L707 F708 L729 | F682-V704 HydrophobicContact CE2-CG1 4.36Å; L696-V704 HydrophobicContact CD1-CB 4.41Å; L696-V704 HydrophobicContact CD1-CG2 3.95Å; Q700-V704 WeakPolarHBondContact O-CB 3.19Å; Q700-V704 VanDerWaalsContact O-CG2 3.3Å; Q700-V704 WeakPolarHBondContact O-CG2 3.39Å; Q700-V704 PolarHBondContact O-N 2.98Å; L701-V704 PolarHBondContact O-N 2.88Å; L702-V704 VanDerWaalsContact C-N 3.34Å; L702-V704 PolarHBondContact O-N 3.39Å; V704-L707 WeakPolarHBondContact O-CB 3.34Å; V704-L707 PolarHBondContact O-N 2.74Å; V704-F708 HydrophobicContact CG1-CD2 3.85Å; V704-F708 HydrophobicContact CG1-CE2 3.41Å; V704-F708 VanDerWaalsContact CG1-CE2 3.41Å; V704-F708 HydrophobicContact CG1-CZ 4.27Å; V704-F708 VanDerWaalsContact O-CD2 3.24Å; V704-F708 WeakPolarHBondContact O-CD2 3.2Å; V704-F708 PolarHBondContact O-N 2.98Å; V704-L729 HydrophobicContact CG1-CD1 4.32Å; V704-L729 HydrophobicContact CG2-CD1 3.72Å; V704-L729 HydrophobicContact CG2-CD2 3.71Å; V704-L729 HydrophobicContact CG2-CG 4.4Å |
| 705 | H | 83.7 | Confident | 76.5 | Confident | 81 Ų | 81 | 71 Ų | 71 | 38% | 0.375 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 167.9 | -173.4 | -65.3 | 0 | 0 | 0 | 110.9 | F682 L701 L702 L707 F708 Q709 | F682-H705 HydrophobicContact CE2-CB 4.23Å; L701-H705 WeakPolarHBondContact O-CB 3.39Å; L701-H705 PolarHBondContact O-N 3.21Å; L702-H705 PolarHBondContact O-N 2.72Å; H705-L707 VanDerWaalsContact C-N 3.33Å; H705-L707 PolarHBondContact O-N 3.32Å; H705-F708 PolarHBondContact O-N 3.47Å; H705-Q709 PolarHBondContact CE1-OE1 3.23Å; H705-Q709 PolarHBondContact ND1-OE1 2.87Å; H705-Q709 WeakPolarHBondContact O-CB 3.43Å; H705-Q709 PolarHBondContact O-N 3.02Å |
| 706 | Q | 81.7 | Confident | 76.2 | Confident | 95 Ų | 95 | 69 Ų | 69 | 44% | 0.444 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 173.8 | -74.6 | 175 | 5.8 | 0 | 0 | 111.8 | L702 Q709 L710 | L702-Q706 WeakPolarHBondContact O-CB 3.46Å; L702-Q706 VanDerWaalsContact O-CG 3.32Å; L702-Q706 WeakPolarHBondContact O-CG 3.4Å; L702-Q706 PolarHBondContact O-N 3.22Å; Q706-Q709 CarbonylContact O-C 3.55Å; Q706-Q709 PolarHBondContact O-N 3.37Å; Q706-L710 VanDerWaalsContact O-CG 3.31Å; Q706-L710 WeakPolarHBondContact O-CG 3.47Å; Q706-L710 PolarHBondContact O-N 3.36Å |
| 707 | L | 77 | Confident | 76 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.3 | -51.3 | 174 | -176.2 | 72.7 | 0 | 0 | 0 | 111.3 | S703 V704 H705 Q709 L710 I711 L742 V743 L746 | S703-L707 WeakPolarHBondContact O-CB 3.33Å; S703-L707 PolarHBondContact O-N 3.15Å; V704-L707 WeakPolarHBondContact O-CB 3.34Å; V704-L707 PolarHBondContact O-N 2.74Å; H705-L707 VanDerWaalsContact C-N 3.33Å; H705-L707 PolarHBondContact O-N 3.32Å; L707-Q709 VanDerWaalsContact C-N 3.26Å; L707-Q709 PolarHBondContact O-N 3.45Å; L707-L710 PolarHBondContact O-N 3.2Å; L707-I711 HydrophobicContact CD1-CD1 3.82Å; L707-I711 HydrophobicContact CG-CD1 3.87Å; L707-I711 WeakPolarHBondContact O-CB 3.27Å; L707-I711 VanDerWaalsContact O-CG1 3.27Å; L707-I711 WeakPolarHBondContact O-CG1 3.29Å; L707-I711 PolarHBondContact O-N 3.49Å; L707-L742 HydrophobicContact CD1-CB 3.77Å; L707-L742 HydrophobicContact CD2-CB 4.29Å; L707-L742 HydrophobicContact CD2-CD2 3.88Å; L707-V743 HydrophobicContact CD1-CG2 3.93Å; L707-L746 HydrophobicContact CD1-CD1 4.45Å |
| 708 | F | 80.1 | Confident | 75.6 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.7 | -23 | 178 | -65.5 | -47.7 | 0 | 0 | 0 | 113.7 | L678 F682 C685 V704 H705 I711 S712 L717 A721 A724 | L678-F708 HydrophobicContact CD1-CB 4.07Å; L678-F708 WeakPolarHBondContact CD1-O 3.34Å; F682-F708 HydrophobicContact CD2-CD2 4.15Å; C685-F708 HydrophobicContact CB-CE2 3.53Å; C685-F708 HydrophobicContact CB-CZ 3.57Å; V704-F708 HydrophobicContact CG1-CD2 3.85Å; V704-F708 HydrophobicContact CG1-CE2 3.41Å; V704-F708 VanDerWaalsContact CG1-CE2 3.41Å; V704-F708 HydrophobicContact CG1-CZ 4.27Å; V704-F708 VanDerWaalsContact O-CD2 3.24Å; V704-F708 WeakPolarHBondContact O-CD2 3.2Å; V704-F708 PolarHBondContact O-N 2.98Å; H705-F708 PolarHBondContact O-N 3.47Å; F708-I711 CarbonylContact O-C 3.59Å; F708-I711 PolarHBondContact O-N 3.19Å; F708-S712 VanDerWaalsContact O-CA 3.3Å; F708-S712 WeakPolarHBondContact O-CA 3.32Å; F708-S712 VanDerWaalsContact O-CB 3.32Å; F708-S712 WeakPolarHBondContact O-CB 3.47Å; F708-S712 PolarHBondContact O-N 3.19Å; F708-L717 HydrophobicContact CB-CD1 4.42Å; F708-L717 HydrophobicContact CD1-CD1 3.79Å; F708-L717 HydrophobicContact CG-CD1 4.45Å; F708-A721 HydrophobicContact CD1-CB 4.42Å; F708-A721 VanDerWaalsContact CE1-CA 3.47Å; F708-A721 HydrophobicContact CE1-CB 3.66Å; F708-A721 HydrophobicContact CZ-CB 3.76Å; F708-A724 HydrophobicContact CE1-CB 4.33Å; F708-A724 HydrophobicContact CZ-CB 4.01Å |
| 709 | Q | 82 | Confident | 75.2 | Confident | 113 Ų | 113 | 61.1 Ų | 61.1 | 53% | 0.528 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -79.7 | -22.5 | 173.4 | -170.2 | 172.4 | 3.5 | 0 | 0 | 113 | L678 H705 Q706 L707 S712 | L678-Q709 HydrophobicContact CD1-CB 4.48Å; H705-Q709 PolarHBondContact CE1-OE1 3.23Å; H705-Q709 PolarHBondContact ND1-OE1 2.87Å; H705-Q709 WeakPolarHBondContact O-CB 3.43Å; H705-Q709 PolarHBondContact O-N 3.02Å; Q706-Q709 CarbonylContact O-C 3.55Å; Q706-Q709 PolarHBondContact O-N 3.37Å; L707-Q709 VanDerWaalsContact C-N 3.26Å; L707-Q709 PolarHBondContact O-N 3.45Å; Q709-S712 PolarHBondContact O-OG 3.21Å |
| 710 | L | 77.1 | Confident | 75.1 | Confident | 112 Ų | 112 | 55.8 Ų | 55.8 | 59% | 0.586 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -80.3 | -28.7 | 166.6 | -71.1 | 166 | 0 | 0 | 0 | 111.9 | Q706 L707 | Q706-L710 VanDerWaalsContact O-CG 3.31Å; Q706-L710 WeakPolarHBondContact O-CG 3.47Å; Q706-L710 PolarHBondContact O-N 3.36Å; L707-L710 PolarHBondContact O-N 3.2Å |
| 711 | I | 74.9 | Confident | 75 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -97.4 | 4.8 | -178.5 | -62.2 | 175.3 | 0 | 0 | 0 | 111.2 | L707 F708 E713 E714 L717 L720 V743 L746 | L707-I711 HydrophobicContact CD1-CD1 3.82Å; L707-I711 HydrophobicContact CG-CD1 3.87Å; L707-I711 WeakPolarHBondContact O-CB 3.27Å; L707-I711 VanDerWaalsContact O-CG1 3.27Å; L707-I711 WeakPolarHBondContact O-CG1 3.29Å; L707-I711 PolarHBondContact O-N 3.49Å; F708-I711 CarbonylContact O-C 3.59Å; F708-I711 PolarHBondContact O-N 3.19Å; I711-E713 PolarHBondContact O-N 2.87Å; I711-E713 VanDerWaalsContact O-N 3.07Å; I711-E714 HydrophobicContact CG2-CB 3.87Å; I711-E714 HydrophobicContact CG2-CG 4.04Å; I711-E714 WeakPolarHBondContact O-CB 3.36Å; I711-E714 PolarHBondContact O-N 2.93Å; I711-L717 HydrophobicContact CB-CD1 4.42Å; I711-L717 HydrophobicContact CG2-CD1 3.89Å; I711-L720 HydrophobicContact CG2-CB 4.28Å; I711-L720 HydrophobicContact CG2-CD1 3.51Å; I711-V743 HydrophobicContact CD1-CG2 4.38Å; I711-L746 HydrophobicContact CD1-CD1 3.74Å |
| 712 | S | 73.8 | Confident | 74.7 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -16.5 | -169.5 | 57.9 | 0 | 0 | 0 | 0 | 115.3 | F708 Q709 | F708-S712 VanDerWaalsContact O-CA 3.3Å; F708-S712 WeakPolarHBondContact O-CA 3.32Å; F708-S712 VanDerWaalsContact O-CB 3.32Å; F708-S712 WeakPolarHBondContact O-CB 3.47Å; F708-S712 PolarHBondContact O-N 3.19Å; Q709-S712 PolarHBondContact O-OG 3.21Å |
| 713 | E | 67.8 | Low | 74.1 | Confident | 186 Ų | 186 | 49.3 Ų | 49.3 | 87% | 0.869 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -10.3 | 177 | -59.8 | -174.6 | 166.9 | 0 | 0 | 112.7 | I711 K715 | I711-E713 PolarHBondContact O-N 2.87Å; I711-E713 VanDerWaalsContact O-N 3.07Å; E713-K715 PolarHBondContact O-N 3.26Å |
| 714 | E | 66.4 | Low | 74 | Confident | 91 Ų | 91 | 48 Ų | 48 | 43% | 0.425 | 24% | 0.242 | S | C | . | . | trans | -69 | 118.5 | 174.6 | -83.2 | -76.1 | 170.6 | 0 | 0 | 110.7 | I711 N716 L717 L720 | I711-E714 HydrophobicContact CG2-CB 3.87Å; I711-E714 HydrophobicContact CG2-CG 4.04Å; I711-E714 WeakPolarHBondContact O-CB 3.36Å; I711-E714 PolarHBondContact O-N 2.93Å; E714-N716 PolarHBondContact O-N 2.91Å; E714-L717 WeakPolarHBondContact O-CB 3.27Å; E714-L717 PolarHBondContact O-N 3.21Å; E714-L720 HydrophobicContact CB-CD1 3.8Å; E714-L720 HydrophobicContact CG-CD1 3.96Å | ||
| 715 | K | 60.2 | Low | 73.7 | Confident | 87 Ų | 87 | 48 Ų | 48 | 38% | 0.378 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.7 | 176 | -64.7 | 175.1 | -177.9 | 172.3 | 0 | 112.4 | D504 T506 E508 E713 | D504-K715 WeakPolarHBondContact OD2-CE 3.5Å; D504-K715 IonicContact OD2-NZ 3.22Å; D504-K715 PolarHBondContact OD2-NZ 3.36Å; D504-K715 VanDerWaalsContact OD2-NZ 3.11Å; T506-K715 PolarHBondContact OG1-NZ 3.03Å; E508-K715 IonicContact OE2-NZ 3.97Å; E508-K715 PolarHBondContact OE2-NZ 3.07Å; E713-K715 PolarHBondContact O-N 3.26Å |
| 716 | N | 66 | Low | 73.1 | Confident | 62 Ų | 62 | 46 Ų | 46 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 14 | 178.8 | -65.7 | -53.8 | 0 | 0 | 0 | 114.8 | E714 P718 I719 L720 | E714-N716 PolarHBondContact O-N 2.91Å; N716-P718 VanDerWaalsContact C-N 3.32Å; N716-P718 VanDerWaalsContact O-N 3.11Å; N716-I719 HydrophobicContact CB-CD1 4.25Å; N716-I719 WeakPolarHBondContact O-CB 3.19Å; N716-I719 PolarHBondContact O-N 3.03Å; N716-L720 HydrophobicContact CB-CD1 4.33Å; N716-L720 HydrophobicContact CB-CG 4.37Å; N716-L720 PolarHBondContact O-N 2.78Å |
| 717 | L | 73.1 | Confident | 72.4 | Confident | 16 Ų | 16 | 43.4 Ų | 43.4 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -45.6 | -40.7 | -178.1 | -178.7 | 66.5 | 0 | 0 | 0 | 115.3 | F708 I711 E714 L720 A721 | F708-L717 HydrophobicContact CB-CD1 4.42Å; F708-L717 HydrophobicContact CD1-CD1 3.79Å; F708-L717 HydrophobicContact CG-CD1 4.45Å; I711-L717 HydrophobicContact CB-CD1 4.42Å; I711-L717 HydrophobicContact CG2-CD1 3.89Å; E714-L717 WeakPolarHBondContact O-CB 3.27Å; E714-L717 PolarHBondContact O-N 3.21Å; L717-L720 PolarHBondContact O-N 3.2Å; L717-A721 WeakPolarHBondContact O-CB 3.37Å; L717-A721 PolarHBondContact O-N 3.06Å |
| 718 | P | 71.3 | Confident | 72.1 | Confident | 23 Ų | 23 | 44.2 Ų | 44.2 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 176 | -22.4 | 34.7 | 0 | 0 | 0 | 113.3 | V468 F511 N684 N716 A721 C722 | V468-P718 HydrophobicContact CG1-CB 3.72Å; F511-P718 HydrophobicContact CD1-CB 4.39Å; F511-P718 HydrophobicContact CD1-CG 4.37Å; F511-P718 HydrophobicContact CE1-CB 4.15Å; F511-P718 HydrophobicContact CE1-CG 4.49Å; N684-P718 PolarHBondContact ND2-O 2.98Å; N716-P718 VanDerWaalsContact C-N 3.32Å; N716-P718 VanDerWaalsContact O-N 3.11Å; P718-A721 PolarHBondContact O-N 3.09Å; P718-C722 WeakPolarHBondContact O-CB 3.18Å; P718-C722 PolarHBondContact O-N 3.18Å |
| 719 | I | 71.5 | Confident | 71.9 | Confident | 24 Ų | 24 | 44.3 Ų | 44.3 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.4 | -46 | 178.3 | -57.1 | 165 | 0 | 0 | 0 | 109.5 | W464 F511 N716 A721 C722 A723 | W464-I719 HydrophobicContact CH2-CD1 3.66Å; W464-I719 HydrophobicContact CH2-CG1 4Å; W464-I719 HydrophobicContact CZ2-CD1 3.91Å; W464-I719 HydrophobicContact CZ2-CG1 4.06Å; W464-I719 HydrophobicContact CZ2-CG2 3.88Å; F511-I719 HydrophobicContact CB-CD1 4.05Å; F511-I719 HydrophobicContact CD2-CD1 3.71Å; F511-I719 HydrophobicContact CD2-CG1 3.76Å; F511-I719 HydrophobicContact CE2-CD1 4.49Å; F511-I719 HydrophobicContact CE2-CG1 4.1Å; F511-I719 HydrophobicContact CG-CD1 4.04Å; F511-I719 HydrophobicContact CG-CG1 4.15Å; N716-I719 HydrophobicContact CB-CD1 4.25Å; N716-I719 WeakPolarHBondContact O-CB 3.19Å; N716-I719 PolarHBondContact O-N 3.03Å; I719-A721 VanDerWaalsContact C-N 3.32Å; I719-A721 PolarHBondContact O-N 3.03Å; I719-C722 PolarHBondContact O-N 3.47Å; I719-A723 WeakPolarHBondContact O-CB 3.49Å; I719-A723 PolarHBondContact O-N 3.18Å |
| 720 | L | 72.6 | Confident | 71.5 | Confident | 13 Ų | 13 | 40.6 Ų | 40.6 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.6 | -36.5 | 178.9 | -64.3 | 171.8 | 0 | 0 | 0 | 111.6 | I711 E714 N716 L717 A723 A724 L746 | I711-L720 HydrophobicContact CG2-CB 4.28Å; I711-L720 HydrophobicContact CG2-CD1 3.51Å; E714-L720 HydrophobicContact CB-CD1 3.8Å; E714-L720 HydrophobicContact CG-CD1 3.96Å; N716-L720 HydrophobicContact CB-CD1 4.33Å; N716-L720 HydrophobicContact CB-CG 4.37Å; N716-L720 PolarHBondContact O-N 2.78Å; L717-L720 PolarHBondContact O-N 3.2Å; L720-A723 PolarHBondContact O-N 2.96Å; L720-A724 VanDerWaalsContact O-CB 3.31Å; L720-A724 WeakPolarHBondContact O-CB 3.46Å; L720-A724 PolarHBondContact O-N 3.22Å; L720-L746 HydrophobicContact CD2-CD2 4.22Å |
| 721 | A | 76.3 | Confident | 71.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.9 | -41.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G681 C685 F708 L717 P718 I719 A724 G725 | G681-A721 VanDerWaalsContact O-CB 3.27Å; G681-A721 WeakPolarHBondContact O-CB 3.44Å; C685-A721 HydrophobicContact CB-CB 4.26Å; F708-A721 HydrophobicContact CD1-CB 4.42Å; F708-A721 VanDerWaalsContact CE1-CA 3.47Å; F708-A721 HydrophobicContact CE1-CB 3.66Å; F708-A721 HydrophobicContact CZ-CB 3.76Å; L717-A721 WeakPolarHBondContact O-CB 3.37Å; L717-A721 PolarHBondContact O-N 3.06Å; P718-A721 PolarHBondContact O-N 3.09Å; I719-A721 VanDerWaalsContact C-N 3.32Å; I719-A721 PolarHBondContact O-N 3.03Å; A721-A724 PolarHBondContact O-N 2.94Å; A721-G725 PolarHBondContact O-N 2.69Å |
| 722 | C | 74.9 | Confident | 70.5 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 8% | 0.081 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | 172.8 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | P467 V468 P718 I719 G725 S726 | P467-C722 WeakPolarHBondContact CB-SG 3.15Å; V468-C722 HydrophobicContact CG2-CB 4.06Å; P718-C722 WeakPolarHBondContact O-CB 3.18Å; P718-C722 PolarHBondContact O-N 3.18Å; I719-C722 PolarHBondContact O-N 3.47Å; C722-G725 PolarHBondContact O-N 3.18Å; C722-S726 WeakPolarHBondContact O-CB 3.47Å; C722-S726 PolarHBondContact O-N 3.22Å; C722-S726 PolarHBondContact O-OG 3.5Å; C722-S726 VanDerWaalsContact O-OG 3.07Å |
| 723 | A | 69 | Low | 69.9 | Low | 17 Ų | 17 | 43.8 Ų | 43.8 | 14% | 0.14 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | I719 L720 C727 I728 L746 L836 | I719-A723 WeakPolarHBondContact O-CB 3.49Å; I719-A723 PolarHBondContact O-N 3.18Å; L720-A723 PolarHBondContact O-N 2.96Å; A723-C727 WeakPolarHBondContact O-CA 3.27Å; A723-C727 WeakPolarHBondContact O-CB 3.41Å; A723-C727 PolarHBondContact O-N 3.46Å; A723-I728 PolarHBondContact O-N 2.82Å; A723-L746 HydrophobicContact CB-CD2 4.46Å; A723-L836 HydrophobicContact CB-CD2 4.24Å |
| 724 | A | 74.7 | Confident | 69.3 | Low | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -60.3 | -51.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | F708 L720 A721 I728 L729 | F708-A724 HydrophobicContact CE1-CB 4.33Å; F708-A724 HydrophobicContact CZ-CB 4.01Å; L720-A724 VanDerWaalsContact O-CB 3.31Å; L720-A724 WeakPolarHBondContact O-CB 3.46Å; L720-A724 PolarHBondContact O-N 3.22Å; A721-A724 PolarHBondContact O-N 2.94Å; A724-I728 PolarHBondContact O-N 3.19Å; A724-L729 HydrophobicContact CB-CD1 4.26Å; A724-L729 VanDerWaalsContact O-CB 3.31Å; A724-L729 WeakPolarHBondContact O-CB 3.21Å; A724-L729 WeakPolarHBondContact O-CG 3.16Å; A724-L729 PolarHBondContact O-N 3.37Å |
| 725 | G | 74.6 | Confident | 68.9 | Low | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -70.2 | -36.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L689 A721 C722 P730 | L689-G725 WeakPolarHBondContact CD2-O 3.48Å; A721-G725 PolarHBondContact O-N 2.69Å; C722-G725 PolarHBondContact O-N 3.18Å; G725-P730 VanDerWaalsContact O-CD 3.29Å; G725-P730 WeakPolarHBondContact O-CD 3.47Å; G725-P730 WeakPolarHBondContact O-CG 3.27Å |
| 726 | S | 70.9 | Confident | 68.9 | Low | 38 Ų | 38 | 47 Ų | 47 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -99.9 | -15.3 | -171.8 | -50.2 | 0 | 0 | 0 | 0 | 114.9 | N688 C722 | N688-S726 VanDerWaalsContact CB-OG 3.3Å; N688-S726 WeakPolarHBondContact CB-OG 3.38Å; N688-S726 VanDerWaalsContact CG-OG 3.25Å; N688-S726 PolarHBondContact OD1-OG 2.98Å; N688-S726 VanDerWaalsContact OD1-OG 3.05Å; C722-S726 WeakPolarHBondContact O-CB 3.47Å; C722-S726 PolarHBondContact O-N 3.22Å; C722-S726 PolarHBondContact O-OG 3.5Å; C722-S726 VanDerWaalsContact O-OG 3.07Å |
| 727 | C | 67.3 | Low | 68.7 | Low | 40 Ų | 40 | 45 Ų | 45 | 27% | 0.27 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -132.6 | -33 | -174.4 | -69.2 | 0 | 0 | 0 | 0 | 114.9 | A723 N731 | A723-C727 WeakPolarHBondContact O-CA 3.27Å; A723-C727 WeakPolarHBondContact O-CB 3.41Å; A723-C727 PolarHBondContact O-N 3.46Å; C727-N731 PolarHBondContact O-ND2 3.02Å |
| 728 | I | 70.4 | Confident | 68.4 | Low | 19 Ų | 19 | 50.3 Ų | 50.3 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -101.5 | -55 | -172.5 | -57.4 | -178.7 | 0 | 0 | 0 | 112.3 | A723 A724 N731 L732 L742 L746 L836 | A723-I728 PolarHBondContact O-N 2.82Å; A724-I728 PolarHBondContact O-N 3.19Å; I728-N731 PolarHBondContact O-N 3.3Å; I728-N731 VanDerWaalsContact O-N 3.09Å; I728-L732 HydrophobicContact CG2-CD1 3.89Å; I728-L732 HydrophobicContact CG2-CG 4.46Å; I728-L732 PolarHBondContact O-N 3.35Å; I728-L742 HydrophobicContact CG2-CD2 3.94Å; I728-L742 HydrophobicContact CG2-CG 4.31Å; I728-L746 HydrophobicContact CD1-CD2 3.45Å; I728-L746 VanDerWaalsContact CD1-CD2 3.45Å; I728-L746 HydrophobicContact CD1-CG 3.64Å; I728-L836 HydrophobicContact CD1-CD1 4.08Å |
| 729 | L | 75.2 | Confident | 67.9 | Low | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -62.2 | -39.3 | -177.6 | -67.1 | 167.1 | 0 | 0 | 0 | 113.3 | L689 V704 A724 N731 L732 I737 L742 | L689-L729 HydrophobicContact CD1-CD1 4.04Å; L689-L729 HydrophobicContact CD2-CB 4Å; V704-L729 HydrophobicContact CG1-CD1 4.32Å; V704-L729 HydrophobicContact CG2-CD1 3.72Å; V704-L729 HydrophobicContact CG2-CD2 3.71Å; V704-L729 HydrophobicContact CG2-CG 4.4Å; A724-L729 HydrophobicContact CB-CD1 4.26Å; A724-L729 VanDerWaalsContact O-CB 3.31Å; A724-L729 WeakPolarHBondContact O-CB 3.21Å; A724-L729 WeakPolarHBondContact O-CG 3.16Å; A724-L729 PolarHBondContact O-N 3.37Å; L729-N731 PolarHBondContact O-N 2.77Å; L729-N731 VanDerWaalsContact O-N 3.16Å; L729-L732 HydrophobicContact CD2-CD1 4.2Å; L729-L732 PolarHBondContact O-N 2.78Å; L729-I737 HydrophobicContact CD2-CD1 3.96Å; L729-L742 HydrophobicContact CD2-CD2 3.9Å |
| 730 | P | 73.9 | Confident | 67.7 | Low | 36 Ų | 36 | 54.2 Ų | 54.2 | 23% | 0.234 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -65.4 | -13.8 | 174.2 | -21.8 | 33.8 | 0 | 0 | 0 | 115.1 | L689 L692 G725 | L689-P730 HydrophobicContact CD2-CG 4.16Å; L692-P730 HydrophobicContact CD1-CB 4.47Å; L692-P730 HydrophobicContact CD1-CG 3.72Å; G725-P730 VanDerWaalsContact O-CD 3.29Å; G725-P730 WeakPolarHBondContact O-CD 3.47Å; G725-P730 WeakPolarHBondContact O-CG 3.27Å |
| 731 | N | 67.5 | Low | 67.4 | Low | 136 Ų | 136 | 57.4 Ų | 57.4 | 73% | 0.727 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -109.2 | 3.8 | -178.5 | -71.7 | -54.2 | 0 | 0 | 0 | 113 | C727 I728 L729 | C727-N731 PolarHBondContact O-ND2 3.02Å; I728-N731 PolarHBondContact O-N 3.3Å; I728-N731 VanDerWaalsContact O-N 3.09Å; L729-N731 PolarHBondContact O-N 2.77Å; L729-N731 VanDerWaalsContact O-N 3.16Å |
| 732 | L | 63.6 | Low | 66.9 | Low | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.147 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -94 | 121.4 | 177.8 | -83.1 | 165.7 | 0 | 0 | 0 | 111.1 | I728 L729 C734 L742 | I728-L732 HydrophobicContact CG2-CD1 3.89Å; I728-L732 HydrophobicContact CG2-CG 4.46Å; I728-L732 PolarHBondContact O-N 3.35Å; L729-L732 HydrophobicContact CD2-CD1 4.2Å; L729-L732 PolarHBondContact O-N 2.78Å; L732-C734 PolarHBondContact O-N 3.35Å; L732-L742 HydrophobicContact CD1-CD1 3.86Å; L732-L742 HydrophobicContact CD1-CD2 3.76Å; L732-L742 HydrophobicContact CD1-CG 3.92Å |
| 733 | A | 60.8 | Low | 66.4 | Low | 88 Ų | 88 | 59 Ų | 59 | 73% | 0.727 | 32% | 0.324 | S | S | * | . | trans | -58.6 | 135.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110.3 | E735 | A733-E735 PolarHBondContact O-N 3.5Š| ||
| 734 | C | 55 | Low | 65.9 | Low | 85 Ų | 85 | 62.2 Ų | 62.2 | 57% | 0.574 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.3 | -158.1 | -70.2 | 0 | 0 | 0 | 0 | 117.1 | Q700 L732 | Q700-C734 PolarHBondContact NE2-O 3.31Å; L732-C734 PolarHBondContact O-N 3.35Å |
| 735 | E | 58.8 | Low | 65.3 | Low | 165 Ų | 165 | 66.1 Ų | 66.1 | 77% | 0.771 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -23 | -161.1 | -60.1 | -172.6 | 159.1 | 0 | 0 | 115.3 | A733 | A733-E735 PolarHBondContact O-N 3.5Š|
| 736 | Y | 59 | Low | 64.6 | Low | 181 Ų | 181 | 66.2 Ų | 66.2 | 71% | 0.71 | 36% | 0.362 | S | S | * | . | trans | -141.9 | 88.7 | -175.5 | -66.5 | -80.3 | 0 | 0 | 0 | 113.8 | ||||
| 737 | I | 63.2 | Low | 64.1 | Low | 21 Ų | 21 | 68.7 Ų | 68.7 | 11% | 0.108 | 37% | 0.371 | C | S | . | . | trans | -101 | 92.1 | 169.4 | -59.8 | -167 | 0 | 0 | 0 | 108.9 | Q700 S703 L729 L742 | Q700-I737 HydrophobicContact CB-CD1 4.15Å; Q700-I737 HydrophobicContact CG-CD1 3.82Å; Q700-I737 HydrophobicContact CG-CG1 4.4Å; S703-I737 PolarHBondContact OG-O 3.45Å; L729-I737 HydrophobicContact CD2-CD1 3.96Å; I737-L742 HydrophobicContact CB-CD1 4.45Å; I737-L742 HydrophobicContact CG2-CD1 3.63Å | ||
| 738 | K | 65.8 | Low | 63.6 | Low | 126 Ų | 126 | 69.8 Ų | 69.8 | 55% | 0.548 | 37% | 0.372 | S | S | . | . | trans | -93.4 | 132 | 169.2 | -71.3 | -178.6 | -177.4 | 169.6 | 0 | 110.1 | N740 D741 L742 | K738-N740 PolarHBondContact O-N 2.97Å; K738-D741 HydrophobicContact CB-CB 4.17Å; K738-D741 WeakPolarHBondContact CD-OD2 3.28Å; K738-D741 PolarHBondContact O-N 3.15Å; K738-D741 VanDerWaalsContact O-N 3.16Å; K738-L742 WeakPolarHBondContact O-CD1 3.44Å; K738-L742 PolarHBondContact O-N 2.94Å | ||
| 739 | G | 62.1 | Low | 62.7 | Low | 14 Ų | 14 | 72.5 Ų | 72.5 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -51.4 | -51.9 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | D741 L742 V743 | G739-D741 VanDerWaalsContact C-N 3.34Å; G739-D741 PolarHBondContact O-N 3.01Å; G739-L742 PolarHBondContact O-N 2.87Å; G739-L742 VanDerWaalsContact O-N 3.11Å; G739-V743 WeakPolarHBondContact O-CG2 3.49Å; G739-V743 PolarHBondContact O-N 3.21Å |
| 740 | N | 67.1 | Low | 61.9 | Low | 116 Ų | 116 | 76.5 Ų | 76.5 | 62% | 0.62 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.3 | -39.5 | -179.5 | -61.9 | 20.9 | 0 | 0 | 0 | 113 | K738 L742 V743 C744 | K738-N740 PolarHBondContact O-N 2.97Å; N740-L742 VanDerWaalsContact C-N 3.26Å; N740-L742 PolarHBondContact O-N 2.62Å; N740-V743 PolarHBondContact O-N 2.92Å; N740-C744 PolarHBondContact O-N 2.98Å; N740-C744 PolarHBondContact O-SG 3.48Å |
| 741 | D | 66.1 | Low | 61.5 | Low | 79 Ų | 79 | 75.5 Ų | 75.5 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.3 | -27.5 | 179.7 | -64 | -12.5 | 0 | 0 | 0 | 111.7 | K738 G739 K745 | K738-D741 HydrophobicContact CB-CB 4.17Å; K738-D741 WeakPolarHBondContact CD-OD2 3.28Å; K738-D741 PolarHBondContact O-N 3.15Å; K738-D741 VanDerWaalsContact O-N 3.16Å; G739-D741 VanDerWaalsContact C-N 3.34Å; G739-D741 PolarHBondContact O-N 3.01Å; D741-K745 WeakPolarHBondContact O-CD 3.18Å; D741-K745 VanDerWaalsContact O-CG 3.28Å; D741-K745 WeakPolarHBondContact O-CG 3.41Å; D741-K745 PolarHBondContact O-N 2.85Å |
| 742 | L | 65 | Low | 61.4 | Low | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.016 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -77.2 | -39 | 170 | -86 | 92.8 | 0 | 0 | 0 | 112.4 | L707 I728 L729 L732 I737 K738 G739 N740 C744 K745 L746 | L707-L742 HydrophobicContact CD1-CB 3.77Å; L707-L742 HydrophobicContact CD2-CB 4.29Å; L707-L742 HydrophobicContact CD2-CD2 3.88Å; I728-L742 HydrophobicContact CG2-CD2 3.94Å; I728-L742 HydrophobicContact CG2-CG 4.31Å; L729-L742 HydrophobicContact CD2-CD2 3.9Å; L732-L742 HydrophobicContact CD1-CD1 3.86Å; L732-L742 HydrophobicContact CD1-CD2 3.76Å; L732-L742 HydrophobicContact CD1-CG 3.92Å; I737-L742 HydrophobicContact CB-CD1 4.45Å; I737-L742 HydrophobicContact CG2-CD1 3.63Å; K738-L742 WeakPolarHBondContact O-CD1 3.44Å; K738-L742 PolarHBondContact O-N 2.94Å; G739-L742 PolarHBondContact O-N 2.87Å; G739-L742 VanDerWaalsContact O-N 3.11Å; N740-L742 VanDerWaalsContact C-N 3.26Å; N740-L742 PolarHBondContact O-N 2.62Å; L742-C744 VanDerWaalsContact C-N 3.32Å; L742-C744 PolarHBondContact O-N 3.15Å; L742-K745 CarbonylContact O-C 3.6Å; L742-K745 PolarHBondContact O-N 3.47Å; L742-K745 VanDerWaalsContact O-N 3.11Å; L742-L746 WeakPolarHBondContact O-CG 3.47Å; L742-L746 PolarHBondContact O-N 3.36Å |
| 743 | V | 63.6 | Low | 61.4 | Low | 43 Ų | 43 | 76.9 Ų | 76.9 | 26% | 0.261 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.5 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | L707 I711 G739 N740 K745 L746 I747 | L707-V743 HydrophobicContact CD1-CG2 3.93Å; I711-V743 HydrophobicContact CD1-CG2 4.38Å; G739-V743 WeakPolarHBondContact O-CG2 3.49Å; G739-V743 PolarHBondContact O-N 3.21Å; N740-V743 PolarHBondContact O-N 2.92Å; V743-K745 VanDerWaalsContact C-N 3.29Å; V743-K745 PolarHBondContact O-N 2.81Å; V743-L746 PolarHBondContact O-N 3.19Å; V743-L746 VanDerWaalsContact O-N 3.11Å; V743-I747 HydrophobicContact CG1-CD1 4.12Å; V743-I747 PolarHBondContact O-N 3.25Å |
| 744 | C | 60.3 | Low | 61.6 | Low | 85 Ų | 85 | 73.3 Ų | 73.3 | 57% | 0.574 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.2 | -29.5 | 175.3 | -67.7 | 0 | 0 | 0 | 0 | 113.8 | N740 L742 H748 | N740-C744 PolarHBondContact O-N 2.98Å; N740-C744 PolarHBondContact O-SG 3.48Å; L742-C744 VanDerWaalsContact C-N 3.32Å; L742-C744 PolarHBondContact O-N 3.15Å; C744-H748 PolarHBondContact O-CE1 2.94Å; C744-H748 PolarHBondContact O-ND1 3.48Å |
| 745 | K | 61.7 | Low | 62.2 | Low | 82 Ų | 82 | 69.8 Ų | 69.8 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -79.7 | -21 | 173.5 | -73.4 | 170.2 | -177.8 | 176 | 0 | 113.5 | D741 L742 V743 | D741-K745 WeakPolarHBondContact O-CD 3.18Å; D741-K745 VanDerWaalsContact O-CG 3.28Å; D741-K745 WeakPolarHBondContact O-CG 3.41Å; D741-K745 PolarHBondContact O-N 2.85Å; L742-K745 CarbonylContact O-C 3.6Å; L742-K745 PolarHBondContact O-N 3.47Å; L742-K745 VanDerWaalsContact O-N 3.11Å; V743-K745 VanDerWaalsContact C-N 3.29Å; V743-K745 PolarHBondContact O-N 2.81Å |
| 746 | L | 60.2 | Low | 62.7 | Low | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -79.1 | -26.7 | 175.2 | -79.7 | 160 | 0 | 0 | 0 | 112.3 | L707 I711 L720 A723 I728 L742 V743 L836 | L707-L746 HydrophobicContact CD1-CD1 4.45Å; I711-L746 HydrophobicContact CD1-CD1 3.74Å; L720-L746 HydrophobicContact CD2-CD2 4.22Å; A723-L746 HydrophobicContact CB-CD2 4.46Å; I728-L746 HydrophobicContact CD1-CD2 3.45Å; I728-L746 VanDerWaalsContact CD1-CD2 3.45Å; I728-L746 HydrophobicContact CD1-CG 3.64Å; L742-L746 WeakPolarHBondContact O-CG 3.47Å; L742-L746 PolarHBondContact O-N 3.36Å; V743-L746 PolarHBondContact O-N 3.19Å; V743-L746 VanDerWaalsContact O-N 3.11Å; L746-L836 HydrophobicContact CD2-CD1 4.37Å |
| 747 | I | 59.6 | Low | 63 | Low | 90 Ų | 90 | 61.2 Ų | 61.2 | 46% | 0.462 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -134.8 | 59.6 | -164.3 | -39.7 | 176.8 | 0 | 0 | 0 | 112.6 | V743 | V743-I747 HydrophobicContact CG1-CD1 4.12Å; V743-I747 PolarHBondContact O-N 3.25Å |
| 748 | H | 56.3 | Low | 63.2 | Low | 63 Ų | 63 | 61.2 Ų | 61.2 | 29% | 0.292 | 32% | 0.321 | S | S | . | . | trans | -69.7 | 144.2 | 177.5 | -71.6 | -59.7 | 0 | 0 | 0 | 113.4 | C744 T837 | C744-H748 PolarHBondContact O-CE1 2.94Å; C744-H748 PolarHBondContact O-ND1 3.48Å; H748-T837 HydrophobicContact CB-CG2 3.87Å; H748-T837 WeakPolarHBondContact O-CG2 3.47Å | ||
| 749 | T | 52.5 | Low | 63.2 | Low | 76 Ų | 76 | 56 Ų | 56 | 47% | 0.466 | 30% | 0.303 | S | S | . | . | trans | -141 | -0.9 | -169.7 | 47.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 750 | H | 59 | Low | 63.4 | Low | 87 Ų | 87 | 64.4 Ų | 64.4 | 40% | 0.403 | 33% | 0.331 | S | S | . | . | trans | -137.6 | 148.5 | -176.4 | -69.4 | -92.5 | 0 | 0 | 0 | 114.4 | D753 F754 | H750-D753 PolarHBondContact O-N 2.86Å; H750-F754 PolarHBondContact O-N 3.01Å | ||
| 751 | L | 63.6 | Low | 63.3 | Low | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.079 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 178.3 | 176.2 | 65.1 | 0 | 0 | 0 | 112.9 | D753 F754 I755 I771 L857 N861 | L751-D753 VanDerWaalsContact C-N 3.3Å; L751-D753 PolarHBondContact O-N 3.07Å; L751-F754 WeakPolarHBondContact O-CB 3.36Å; L751-F754 PolarHBondContact O-N 2.89Å; L751-F754 VanDerWaalsContact O-N 3.13Å; L751-I755 HydrophobicContact CD1-CD1 3.78Å; L751-I755 HydrophobicContact CD1-CG1 4.02Å; L751-I755 HydrophobicContact CD2-CD1 4.48Å; L751-I755 HydrophobicContact CG-CD1 3.9Å; L751-I755 HydrophobicContact CG-CG1 4.39Å; L751-I755 PolarHBondContact O-N 3.44Å; L751-I771 HydrophobicContact CD1-CD1 4.19Å; L751-I771 HydrophobicContact CD1-CG2 4.21Å; L751-L857 HydrophobicContact CB-CD2 3.99Å; L751-L857 HydrophobicContact CD1-CB 4.28Å; L751-L857 HydrophobicContact CD1-CD1 3.95Å; L751-L857 HydrophobicContact CD1-CD2 3.84Å; L751-L857 HydrophobicContact CD1-CG 4.25Å; L751-N861 WeakPolarHBondContact CB-ND2 3.33Å; L751-N861 HydrophobicContact CD2-CB 3.87Å |
| 752 | N | 66.7 | Low | 63.2 | Low | 112 Ų | 112 | 64.1 Ų | 64.1 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.5 | -35.8 | -178.7 | -69.3 | -11.8 | 0 | 0 | 0 | 112 | S756 | N752-S756 WeakPolarHBondContact O-CB 3.43Å; N752-S756 PolarHBondContact O-N 3.27Å |
| 753 | D | 63.5 | Low | 63.3 | Low | 82 Ų | 82 | 72.9 Ų | 72.9 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 174.1 | -61.3 | -30.4 | 0 | 0 | 0 | 110.9 | H750 L751 S756 Y757 | H750-D753 PolarHBondContact O-N 2.86Å; L751-D753 VanDerWaalsContact C-N 3.3Å; L751-D753 PolarHBondContact O-N 3.07Å; D753-S756 PolarHBondContact O-N 3.22Å; D753-Y757 WeakPolarHBondContact O-CB 3.31Å; D753-Y757 PolarHBondContact O-N 3.24Å |
| 754 | F | 64.4 | Low | 63.6 | Low | 13 Ų | 13 | 75.5 Ų | 75.5 | 6% | 0.057 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.2 | -50.4 | 176.8 | -166.8 | -80 | 0 | 0 | 0 | 111.9 | H750 L751 Y757 F758 I771 F832 F853 | H750-F754 PolarHBondContact O-N 3.01Å; L751-F754 WeakPolarHBondContact O-CB 3.36Å; L751-F754 PolarHBondContact O-N 2.89Å; L751-F754 VanDerWaalsContact O-N 3.13Å; F754-Y757 PolarHBondContact O-N 2.85Å; F754-F758 AromaticContact CD1-CD2 3.78Å; F754-F758 HydrophobicContact CD1-CD2 3.78Å; F754-F758 HydrophobicContact CD1-CE2 4.34Å; F754-F758 HydrophobicContact CD2-CD2 4.22Å; F754-F758 AromaticContact CD2-CE2 3.98Å; F754-F758 HydrophobicContact CD2-CE2 3.98Å; F754-F758 AromaticContact CE1-CD2 3.38Å; F754-F758 HydrophobicContact CE1-CD2 3.38Å; F754-F758 AromaticContact CE1-CE2 3.84Å; F754-F758 HydrophobicContact CE1-CE2 3.84Å; F754-F758 HydrophobicContact CE1-CG 4.34Å; F754-F758 AromaticContact CE2-CD2 3.9Å; F754-F758 HydrophobicContact CE2-CD2 3.9Å; F754-F758 AromaticContact CE2-CE2 3.47Å; F754-F758 HydrophobicContact CE2-CE2 3.47Å; F754-F758 VanDerWaalsContact CE2-CE2 3.47Å; F754-F758 HydrophobicContact CG-CD2 4.15Å; F754-F758 HydrophobicContact CG-CE2 4.38Å; F754-F758 AromaticContact CZ-CD2 3.44Å; F754-F758 HydrophobicContact CZ-CD2 3.44Å; F754-F758 VanDerWaalsContact CZ-CD2 3.44Å; F754-F758 AromaticContact CZ-CE2 3.36Å; F754-F758 HydrophobicContact CZ-CE2 3.36Å; F754-F758 HydrophobicContact CZ-CZ 4.41Å; F754-F758 WeakPolarHBondContact O-CD2 3.24Å; F754-F758 PolarHBondContact O-N 2.84Å; F754-I771 HydrophobicContact CD1-CD1 4.19Å; F754-I771 HydrophobicContact CE1-CD1 4.4Å; F754-F832 HydrophobicContact CD1-CE1 4.35Å; F754-F832 AromaticContact CE1-CD1 3.83Å; F754-F832 HydrophobicContact CE1-CD1 3.83Å; F754-F832 AromaticContact CE1-CE1 3.2Å; F754-F832 HydrophobicContact CE1-CE1 3.2Å; F754-F832 AromaticContact CE1-CZ 3.73Å; F754-F832 HydrophobicContact CE1-CZ 3.73Å; F754-F832 HydrophobicContact CE2-CD1 4.37Å; F754-F832 HydrophobicContact CE2-CE1 4.47Å; F754-F832 AromaticContact CZ-CD1 3.37Å; F754-F832 HydrophobicContact CZ-CD1 3.37Å; F754-F832 AromaticContact CZ-CE1 3.29Å; F754-F832 HydrophobicContact CZ-CE1 3.29Å; F754-F832 HydrophobicContact CZ-CG 4.26Å; F754-F832 HydrophobicContact CZ-CZ 4.11Å; F754-F853 HydrophobicContact CD2-CZ 4.42Å; F754-F853 HydrophobicContact CE1-CZ 4.18Å; F754-F853 HydrophobicContact CE2-CE2 4.07Å; F754-F853 AromaticContact CE2-CZ 3.88Å; F754-F853 HydrophobicContact CE2-CZ 3.88Å; F754-F853 HydrophobicContact CZ-CE2 4.34Å; F754-F853 AromaticContact CZ-CZ 3.78Å; F754-F853 HydrophobicContact CZ-CZ 3.78Å |
| 755 | I | 69 | Low | 63.9 | Low | 11 Ų | 11 | 77.4 Ų | 77.4 | 6% | 0.056 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 176.4 | -62.9 | 177 | 0 | 0 | 0 | 110.7 | L751 Y757 G759 H764 V767 I771 | L751-I755 HydrophobicContact CD1-CD1 3.78Å; L751-I755 HydrophobicContact CD1-CG1 4.02Å; L751-I755 HydrophobicContact CD2-CD1 4.48Å; L751-I755 HydrophobicContact CG-CD1 3.9Å; L751-I755 HydrophobicContact CG-CG1 4.39Å; L751-I755 PolarHBondContact O-N 3.44Å; I755-Y757 VanDerWaalsContact C-N 3.31Å; I755-Y757 PolarHBondContact O-N 2.94Å; I755-G759 VanDerWaalsContact O-CA 3.25Å; I755-G759 WeakPolarHBondContact O-CA 3.24Å; I755-G759 PolarHBondContact O-N 3.25Å; I755-H764 WeakPolarHBondContact CG2-NE2 3.45Å; I755-V767 HydrophobicContact CG1-CG1 4.46Å; I755-I771 HydrophobicContact CD1-CD1 4.32Å; I755-I771 HydrophobicContact CG1-CD1 3.91Å |
| 756 | S | 69.3 | Low | 64 | Low | 62 Ų | 62 | 75.7 Ų | 75.7 | 43% | 0.434 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.8 | -28.3 | 176.7 | -172.1 | 0 | 0 | 0 | 0 | 113.3 | N752 D753 R760 | N752-S756 WeakPolarHBondContact O-CB 3.43Å; N752-S756 PolarHBondContact O-N 3.27Å; D753-S756 PolarHBondContact O-N 3.22Å; S756-R760 WeakPolarHBondContact O-CD 3.25Å; S756-R760 WeakPolarHBondContact O-CG 3.19Å; S756-R760 PolarHBondContact O-NE 2.85Å |
| 757 | Y | 65 | Low | 64.4 | Low | 103 Ų | 103 | 75.6 Ų | 75.6 | 40% | 0.404 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -76.5 | -55.5 | 174.3 | -170.6 | -96.1 | 0 | 0 | 0 | 111.4 | D753 F754 I755 Y761 | D753-Y757 WeakPolarHBondContact O-CB 3.31Å; D753-Y757 PolarHBondContact O-N 3.24Å; F754-Y757 PolarHBondContact O-N 2.85Å; I755-Y757 VanDerWaalsContact C-N 3.31Å; I755-Y757 PolarHBondContact O-N 2.94Å; Y757-Y761 WeakPolarHBondContact O-CD2 3.47Å |
| 758 | F | 67.3 | Low | 64.9 | Low | 21 Ų | 21 | 72.9 Ų | 72.9 | 9% | 0.092 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -80.8 | -26.5 | -174.9 | -68 | -67.2 | 0 | 0 | 0 | 114.3 | F754 R760 Y761 F762 V767 | F754-F758 AromaticContact CD1-CD2 3.78Å; F754-F758 HydrophobicContact CD1-CD2 3.78Å; F754-F758 HydrophobicContact CD1-CE2 4.34Å; F754-F758 HydrophobicContact CD2-CD2 4.22Å; F754-F758 AromaticContact CD2-CE2 3.98Å; F754-F758 HydrophobicContact CD2-CE2 3.98Å; F754-F758 AromaticContact CE1-CD2 3.38Å; F754-F758 HydrophobicContact CE1-CD2 3.38Å; F754-F758 AromaticContact CE1-CE2 3.84Å; F754-F758 HydrophobicContact CE1-CE2 3.84Å; F754-F758 HydrophobicContact CE1-CG 4.34Å; F754-F758 AromaticContact CE2-CD2 3.9Å; F754-F758 HydrophobicContact CE2-CD2 3.9Å; F754-F758 AromaticContact CE2-CE2 3.47Å; F754-F758 HydrophobicContact CE2-CE2 3.47Å; F754-F758 VanDerWaalsContact CE2-CE2 3.47Å; F754-F758 HydrophobicContact CG-CD2 4.15Å; F754-F758 HydrophobicContact CG-CE2 4.38Å; F754-F758 AromaticContact CZ-CD2 3.44Å; F754-F758 HydrophobicContact CZ-CD2 3.44Å; F754-F758 VanDerWaalsContact CZ-CD2 3.44Å; F754-F758 AromaticContact CZ-CE2 3.36Å; F754-F758 HydrophobicContact CZ-CE2 3.36Å; F754-F758 HydrophobicContact CZ-CZ 4.41Å; F754-F758 WeakPolarHBondContact O-CD2 3.24Å; F754-F758 PolarHBondContact O-N 2.84Å; F758-R760 PolarHBondContact O-N 3.18Å; F758-Y761 PolarHBondContact O-N 2.96Å; F758-F762 HydrophobicContact CB-CD2 4.43Å; F758-F762 HydrophobicContact CD1-CE2 4.35Å; F758-F762 PolarHBondContact O-N 3.07Å; F758-F762 VanDerWaalsContact O-N 3.08Å; F758-V767 HydrophobicContact CB-CG1 4.43Å; F758-V767 HydrophobicContact CB-CG2 4.44Å |
| 759 | G | 65.3 | Low | 65.4 | Low | 18 Ų | 18 | 73.1 Ų | 73.1 | 19% | 0.186 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.8 | -18 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I755 Y761 Y763 | I755-G759 VanDerWaalsContact O-CA 3.25Å; I755-G759 WeakPolarHBondContact O-CA 3.24Å; I755-G759 PolarHBondContact O-N 3.25Å; G759-Y761 PolarHBondContact O-N 3.4Å; G759-Y763 PolarHBondContact O-N 3.42Å |
| 760 | R | 67.1 | Low | 66.2 | Low | 190 Ų | 190 | 69.5 Ų | 69.5 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68 | -22.5 | 169.3 | -66.6 | 170.4 | -168 | -144.7 | -1.2 | 113.4 | S756 F758 | S756-R760 WeakPolarHBondContact O-CD 3.25Å; S756-R760 WeakPolarHBondContact O-CG 3.19Å; S756-R760 PolarHBondContact O-NE 2.85Å; F758-R760 PolarHBondContact O-N 3.18Å |
| 761 | Y | 63.7 | Low | 66.5 | Low | 156 Ų | 156 | 65.6 Ų | 65.6 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -108.1 | -34.9 | -175.1 | -60.8 | -80.9 | 0 | 0 | 0 | 112.5 | Y757 F758 G759 | Y757-Y761 WeakPolarHBondContact O-CD2 3.47Å; F758-Y761 PolarHBondContact O-N 2.96Å; G759-Y761 PolarHBondContact O-N 3.4Å |
| 762 | F | 63.2 | Low | 66.7 | Low | 32 Ų | 32 | 66.1 Ų | 66.1 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -121.6 | 15.3 | -167.8 | -56.8 | -71.5 | 0 | 0 | 0 | 115.4 | F758 T766 V767 L827 L828 | F758-F762 HydrophobicContact CB-CD2 4.43Å; F758-F762 HydrophobicContact CD1-CE2 4.35Å; F758-F762 PolarHBondContact O-N 3.07Å; F758-F762 VanDerWaalsContact O-N 3.08Å; F762-T766 WeakPolarHBondContact O-CB 3.31Å; F762-T766 PolarHBondContact O-OG1 3.21Å; F762-V767 HydrophobicContact CB-CG2 3.77Å; F762-L827 HydrophobicContact CE1-CB 3.65Å; F762-L827 HydrophobicContact CZ-CB 3.78Å; F762-L828 HydrophobicContact CB-CD1 4.06Å; F762-L828 HydrophobicContact CB-CD2 4.16Å; F762-L828 HydrophobicContact CB-CG 4.12Å; F762-L828 HydrophobicContact CD1-CD1 4.36Å; F762-L828 HydrophobicContact CD1-CG 3.94Å; F762-L828 HydrophobicContact CD2-CD2 3.49Å; F762-L828 VanDerWaalsContact CD2-CD2 3.49Å; F762-L828 HydrophobicContact CD2-CG 3.74Å; F762-L828 HydrophobicContact CE1-CG 4.27Å; F762-L828 HydrophobicContact CE2-CD2 3.97Å; F762-L828 HydrophobicContact CE2-CG 4.08Å; F762-L828 HydrophobicContact CG-CD1 4.1Å; F762-L828 HydrophobicContact CG-CD2 3.84Å; F762-L828 HydrophobicContact CG-CG 3.66Å; F762-L828 HydrophobicContact CZ-CG 4.34Å |
| 763 | Y | 67.5 | Low | 66.6 | Low | 188 Ų | 188 | 61.3 Ų | 61.3 | 74% | 0.737 | 28% | 0.278 | S | S | * | . | trans | 65 | 130.6 | -165.8 | -92.5 | -97.6 | 0 | 0 | 0 | 114 | G759 H765 T766 V767 | G759-Y763 PolarHBondContact O-N 3.42Å; Y763-H765 PolarHBondContact O-N 2.89Å; Y763-T766 WeakPolarHBondContact CB-OG1 3.46Å; Y763-T766 PolarHBondContact O-N 2.83Å; Y763-T766 VanDerWaalsContact O-N 3.15Å; Y763-V767 WeakPolarHBondContact O-CG2 2.75Å; Y763-V767 PolarHBondContact O-N 3.44Å; Y763-V767 VanDerWaalsContact O-N 3.16Å | ||
| 764 | H | 69.5 | Low | 66.6 | Low | 97 Ų | 97 | 57.7 Ų | 57.7 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -52 | -55.7 | -178.7 | -173.4 | -69.8 | 0 | 0 | 0 | 112.7 | I755 T766 V767 E768 | I755-H764 WeakPolarHBondContact CG2-NE2 3.45Å; H764-T766 VanDerWaalsContact C-N 3.27Å; H764-T766 PolarHBondContact O-N 3.09Å; H764-V767 PolarHBondContact O-N 3.39Å; H764-E768 IonicContact CE1-OE2 3.2Å; H764-E768 IonicContact ND1-OE2 2.75Å; H764-E768 PolarHBondContact ND1-OE2 3.32Å; H764-E768 VanDerWaalsContact O-CB 3.22Å; H764-E768 WeakPolarHBondContact O-CB 3.47Å; H764-E768 PolarHBondContact O-N 3.22Å |
| 765 | H | 67.3 | Low | 66.5 | Low | 125 Ų | 125 | 58.1 Ų | 58.1 | 58% | 0.579 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63.5 | -29.6 | -178.3 | -70.9 | -40.8 | 0 | 0 | 0 | 113.2 | Y763 E768 H769 | Y763-H765 PolarHBondContact O-N 2.89Å; H765-E768 IonicContact CE1-OE2 3.42Å; H765-E768 IonicContact CG-OE2 2.8Å; H765-E768 IonicContact ND1-OE2 3.53Å; H765-E768 PolarHBondContact ND1-OE2 2.65Å; H765-H769 WeakPolarHBondContact O-CB 3.31Å; H765-H769 PolarHBondContact O-N 2.96Å; H765-H769 PolarHBondContact O-ND1 2.89Å |
| 766 | T | 64.3 | Low | 66.2 | Low | 47 Ų | 47 | 58 Ų | 58 | 29% | 0.288 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -71.1 | -44.5 | 178.6 | -43.2 | 0 | 0 | 0 | 0 | 111.2 | F762 Y763 H764 E768 F770 F820 | F762-T766 WeakPolarHBondContact O-CB 3.31Å; F762-T766 PolarHBondContact O-OG1 3.21Å; Y763-T766 WeakPolarHBondContact CB-OG1 3.46Å; Y763-T766 PolarHBondContact O-N 2.83Å; Y763-T766 VanDerWaalsContact O-N 3.15Å; H764-T766 VanDerWaalsContact C-N 3.27Å; H764-T766 PolarHBondContact O-N 3.09Å; T766-E768 VanDerWaalsContact C-N 3.31Å; T766-F770 WeakPolarHBondContact O-CB 3.27Å; T766-F770 PolarHBondContact O-N 3.19Å; T766-F820 HydrophobicContact CG2-CD1 4.12Å; T766-F820 HydrophobicContact CG2-CE1 3.63Å; T766-F820 HydrophobicContact CG2-CZ 4.25Å |
| 767 | V | 68.8 | Low | 65.7 | Low | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 173.6 | 180 | 0 | 0 | 0 | 0 | 110.7 | I755 F758 F762 Y763 H764 F770 I771 L828 | I755-V767 HydrophobicContact CG1-CG1 4.46Å; F758-V767 HydrophobicContact CB-CG1 4.43Å; F758-V767 HydrophobicContact CB-CG2 4.44Å; F762-V767 HydrophobicContact CB-CG2 3.77Å; Y763-V767 WeakPolarHBondContact O-CG2 2.75Å; Y763-V767 PolarHBondContact O-N 3.44Å; Y763-V767 VanDerWaalsContact O-N 3.16Å; H764-V767 PolarHBondContact O-N 3.39Å; V767-F770 PolarHBondContact O-N 3.22Å; V767-I771 HydrophobicContact CG1-CD1 3.87Å; V767-I771 VanDerWaalsContact O-CG1 3.31Å; V767-I771 WeakPolarHBondContact O-CG1 3.23Å; V767-I771 PolarHBondContact O-N 3.42Å; V767-L828 HydrophobicContact CG2-CD2 4.09Å |
| 768 | E | 69.3 | Low | 65.2 | Low | 32 Ų | 32 | 52.3 Ų | 52.3 | 15% | 0.15 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.2 | -49.7 | 177.4 | 174.1 | 176.7 | -158.1 | 0 | 0 | 112.7 | H764 H765 T766 F770 I771 Y772 | H764-E768 IonicContact CE1-OE2 3.2Å; H764-E768 IonicContact ND1-OE2 2.75Å; H764-E768 PolarHBondContact ND1-OE2 3.32Å; H764-E768 VanDerWaalsContact O-CB 3.22Å; H764-E768 WeakPolarHBondContact O-CB 3.47Å; H764-E768 PolarHBondContact O-N 3.22Å; H765-E768 IonicContact CE1-OE2 3.42Å; H765-E768 IonicContact CG-OE2 2.8Å; H765-E768 IonicContact ND1-OE2 3.53Å; H765-E768 PolarHBondContact ND1-OE2 2.65Å; T766-E768 VanDerWaalsContact C-N 3.31Å; E768-F770 VanDerWaalsContact C-N 3.33Å; E768-F770 PolarHBondContact O-N 3.44Å; E768-I771 PolarHBondContact O-N 3.15Å; E768-Y772 HydrophobicContact CG-CD2 3.79Å; E768-Y772 HydrophobicContact CG-CE2 3.27Å; E768-Y772 VanDerWaalsContact O-CD2 3.22Å; E768-Y772 WeakPolarHBondContact O-CD2 3.12Å; E768-Y772 PolarHBondContact O-N 2.83Å |
| 769 | H | 66.3 | Low | 64.5 | Low | 69 Ų | 69 | 54.3 Ų | 54.3 | 32% | 0.319 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 175.8 | -76.6 | 80.4 | 0 | 0 | 0 | 112.1 | H765 Y772 L773 | H765-H769 WeakPolarHBondContact O-CB 3.31Å; H765-H769 PolarHBondContact O-N 2.96Å; H765-H769 PolarHBondContact O-ND1 2.89Å; H769-Y772 PolarHBondContact O-N 3.39Å; H769-L773 WeakPolarHBondContact O-CB 3.49Å; H769-L773 PolarHBondContact O-N 2.79Å |
| 770 | F | 69.3 | Low | 63.5 | Low | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 174 | -179.4 | -103.9 | 0 | 0 | 0 | 111.8 | T766 V767 E768 L773 L774 L796 F820 L825 L829 F832 | T766-F770 WeakPolarHBondContact O-CB 3.27Å; T766-F770 PolarHBondContact O-N 3.19Å; V767-F770 PolarHBondContact O-N 3.22Å; E768-F770 VanDerWaalsContact C-N 3.33Å; E768-F770 PolarHBondContact O-N 3.44Å; F770-L773 PolarHBondContact O-N 3.23Å; F770-L774 HydrophobicContact CD1-CD1 4.02Å; F770-L774 HydrophobicContact CE1-CD1 3.44Å; F770-L774 VanDerWaalsContact CE1-CD1 3.44Å; F770-L774 HydrophobicContact CE1-CG 4.2Å; F770-L774 HydrophobicContact CZ-CD1 3.84Å; F770-L774 HydrophobicContact CZ-CD2 4.49Å; F770-L774 HydrophobicContact CZ-CG 4.24Å; F770-L774 PolarHBondContact O-N 3.07Å; F770-L796 HydrophobicContact CD2-CD1 4.18Å; F770-L796 HydrophobicContact CD2-CD2 3.88Å; F770-L796 HydrophobicContact CE2-CD1 3.65Å; F770-L796 HydrophobicContact CE2-CD2 4.19Å; F770-F820 HydrophobicContact CB-CE1 4.06Å; F770-F820 HydrophobicContact CB-CZ 3.89Å; F770-F820 HydrophobicContact CD2-CE1 4.18Å; F770-F820 HydrophobicContact CD2-CZ 4.06Å; F770-F820 HydrophobicContact CG-CE1 4.44Å; F770-F820 HydrophobicContact CG-CZ 4.43Å; F770-L825 HydrophobicContact CD2-CD1 4.27Å; F770-L825 HydrophobicContact CE2-CD1 3.86Å; F770-L829 HydrophobicContact CZ-CD2 3.92Å; F770-F832 AromaticContact CD1-CE2 3.64Å; F770-F832 HydrophobicContact CD1-CE2 3.64Å; F770-F832 AromaticContact CD1-CZ 3.77Å; F770-F832 HydrophobicContact CD1-CZ 3.77Å; F770-F832 AromaticContact CE1-CD2 3.97Å; F770-F832 HydrophobicContact CE1-CD2 3.97Å; F770-F832 AromaticContact CE1-CE2 3.3Å; F770-F832 HydrophobicContact CE1-CE2 3.3Å; F770-F832 AromaticContact CE1-CZ 3.72Å; F770-F832 HydrophobicContact CE1-CZ 3.72Å; F770-F832 HydrophobicContact CZ-CE2 4.41Å |
| 771 | I | 66.8 | Low | 62.5 | Low | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.6 | -69.9 | 169 | 0 | 0 | 0 | 111.1 | L751 F754 I755 V767 E768 L773 L774 I775 F832 L857 | L751-I771 HydrophobicContact CD1-CD1 4.19Å; L751-I771 HydrophobicContact CD1-CG2 4.21Å; F754-I771 HydrophobicContact CD1-CD1 4.19Å; F754-I771 HydrophobicContact CE1-CD1 4.4Å; I755-I771 HydrophobicContact CD1-CD1 4.32Å; I755-I771 HydrophobicContact CG1-CD1 3.91Å; V767-I771 HydrophobicContact CG1-CD1 3.87Å; V767-I771 VanDerWaalsContact O-CG1 3.31Å; V767-I771 WeakPolarHBondContact O-CG1 3.23Å; V767-I771 PolarHBondContact O-N 3.42Å; E768-I771 PolarHBondContact O-N 3.15Å; I771-L773 VanDerWaalsContact C-N 3.29Å; I771-L773 PolarHBondContact O-N 2.96Å; I771-L774 PolarHBondContact O-N 2.93Å; I771-I775 HydrophobicContact CG2-CD1 3.8Å; I771-I775 HydrophobicContact CG2-CG1 4.43Å; I771-I775 WeakPolarHBondContact O-CB 3Å; I771-I775 VanDerWaalsContact O-CG1 3.29Å; I771-I775 WeakPolarHBondContact O-CG1 3.48Å; I771-I775 PolarHBondContact O-N 3.36Å; I771-F832 HydrophobicContact CD1-CZ 4.45Å; I771-F832 HydrophobicContact CG1-CE1 4.46Å; I771-F832 HydrophobicContact CG1-CZ 4.19Å; I771-L857 HydrophobicContact CG2-CD1 4.43Å |
| 772 | Y | 66.4 | Low | 61.4 | Low | 25 Ų | 25 | 54.4 Ų | 54.4 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65 | -30.8 | 174.4 | -68.5 | -43.9 | 0 | 0 | 0 | 113.2 | E768 H769 I775 I776 V863 T867 | E768-Y772 HydrophobicContact CG-CD2 3.79Å; E768-Y772 HydrophobicContact CG-CE2 3.27Å; E768-Y772 VanDerWaalsContact O-CD2 3.22Å; E768-Y772 WeakPolarHBondContact O-CD2 3.12Å; E768-Y772 PolarHBondContact O-N 2.83Å; H769-Y772 PolarHBondContact O-N 3.39Å; Y772-I775 HydrophobicContact CD1-CD1 4Å; Y772-I776 VanDerWaalsContact O-CG1 3.32Å; Y772-I776 WeakPolarHBondContact O-CG1 3.29Å; Y772-I776 PolarHBondContact O-N 2.95Å; Y772-V863 HydrophobicContact CD1-CG1 3.86Å; Y772-V863 HydrophobicContact CE1-CB 4.27Å; Y772-V863 HydrophobicContact CE1-CG1 3.7Å; Y772-V863 HydrophobicContact CE1-CG2 4.2Å; Y772-T867 HydrophobicContact CD2-CG2 3.49Å; Y772-T867 VanDerWaalsContact CD2-CG2 3.49Å; Y772-T867 HydrophobicContact CE2-CG2 3.9Å; Y772-T867 HydrophobicContact CG-CG2 4.39Å |
| 773 | L | 65.9 | Low | 60.3 | Low | 11 Ų | 11 | 59.4 Ų | 59.4 | 6% | 0.058 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.6 | -40.6 | 173.5 | -168.7 | 142.7 | 0 | 0 | 0 | 111.8 | H769 F770 I771 I776 V777 L792 I795 L796 V871 | H769-L773 WeakPolarHBondContact O-CB 3.49Å; H769-L773 PolarHBondContact O-N 2.79Å; F770-L773 PolarHBondContact O-N 3.23Å; I771-L773 VanDerWaalsContact C-N 3.29Å; I771-L773 PolarHBondContact O-N 2.96Å; L773-I776 PolarHBondContact O-N 3.32Å; L773-V777 HydrophobicContact CD2-CG2 4.3Å; L773-V777 WeakPolarHBondContact O-CG2 3.38Å; L773-V777 PolarHBondContact O-N 3.11Å; L773-L792 HydrophobicContact CD2-CD2 4.35Å; L773-I795 HydrophobicContact CD1-CG2 3.79Å; L773-I795 HydrophobicContact CD2-CG2 4.02Å; L773-I795 HydrophobicContact CG-CG2 4.42Å; L773-L796 HydrophobicContact CD1-CD2 4.36Å; L773-L796 HydrophobicContact CD2-CD2 4.27Å; L773-V871 HydrophobicContact CB-CG1 4.44Å; L773-V871 HydrophobicContact CD1-CG1 4.1Å; L773-V871 HydrophobicContact CG-CG1 4.26Å |
| 774 | L | 63.8 | Low | 59.2 | Low | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -40.4 | 171.3 | -71.3 | 176.3 | 0 | 0 | 0 | 112.3 | F770 I771 V777 S778 L792 V854 | F770-L774 HydrophobicContact CD1-CD1 4.02Å; F770-L774 HydrophobicContact CE1-CD1 3.44Å; F770-L774 VanDerWaalsContact CE1-CD1 3.44Å; F770-L774 HydrophobicContact CE1-CG 4.2Å; F770-L774 HydrophobicContact CZ-CD1 3.84Å; F770-L774 HydrophobicContact CZ-CD2 4.49Å; F770-L774 HydrophobicContact CZ-CG 4.24Å; F770-L774 PolarHBondContact O-N 3.07Å; I771-L774 PolarHBondContact O-N 2.93Å; L774-V777 PolarHBondContact O-N 3.36Å; L774-S778 WeakPolarHBondContact O-CB 3.29Å; L774-S778 PolarHBondContact O-N 2.89Å; L774-S778 PolarHBondContact O-OG 2.86Å; L774-L792 HydrophobicContact CD2-CD1 3.96Å; L774-L792 HydrophobicContact CD2-CD2 3.77Å; L774-V854 HydrophobicContact CB-CG2 4.26Å |
| 775 | I | 62.3 | Low | 58.1 | Low | 22 Ų | 22 | 53.9 Ų | 53.9 | 11% | 0.113 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 172.4 | -74.4 | 163 | 0 | 0 | 0 | 110.6 | I771 Y772 S778 V854 F858 V863 | I771-I775 HydrophobicContact CG2-CD1 3.8Å; I771-I775 HydrophobicContact CG2-CG1 4.43Å; I771-I775 WeakPolarHBondContact O-CB 3Å; I771-I775 VanDerWaalsContact O-CG1 3.29Å; I771-I775 WeakPolarHBondContact O-CG1 3.48Å; I771-I775 PolarHBondContact O-N 3.36Å; Y772-I775 HydrophobicContact CD1-CD1 4Å; I775-S778 PolarHBondContact O-N 2.95Å; I775-V854 HydrophobicContact CB-CG1 4.46Å; I775-V854 HydrophobicContact CG1-CG1 3.84Å; I775-F858 HydrophobicContact CD1-CD2 4.49Å; I775-F858 HydrophobicContact CG1-CD2 4.38Å; I775-F858 HydrophobicContact CG2-CD2 4.08Å; I775-F858 HydrophobicContact CG2-CE2 3.76Å; I775-V863 HydrophobicContact CD1-CG2 4.24Å |
| 776 | I | 61.6 | Low | 57.2 | Low | 9 Ų | 9 | 48.9 Ų | 48.9 | 5% | 0.046 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 179 | -74 | 164.9 | 0 | 0 | 0 | 111 | Y772 L773 S778 T868 V871 L875 F937 | Y772-I776 VanDerWaalsContact O-CG1 3.32Å; Y772-I776 WeakPolarHBondContact O-CG1 3.29Å; Y772-I776 PolarHBondContact O-N 2.95Å; L773-I776 PolarHBondContact O-N 3.32Å; I776-S778 PolarHBondContact O-N 2.93Å; I776-T868 HydrophobicContact CD1-CG2 3.99Å; I776-T868 HydrophobicContact CG1-CG2 4.08Å; I776-V871 HydrophobicContact CD1-CB 3.52Å; I776-V871 HydrophobicContact CD1-CG1 3.55Å; I776-V871 HydrophobicContact CD1-CG2 4.47Å; I776-L875 HydrophobicContact CG2-CD1 3.74Å; I776-F937 HydrophobicContact CG2-CE1 4.07Å; I776-F937 WeakPolarHBondContact O-CE1 3.34Å; I776-F937 WeakPolarHBondContact O-CZ 3.35Å |
| 777 | V | 59.6 | Low | 56.6 | Low | 22 Ų | 22 | 46.9 Ų | 46.9 | 13% | 0.133 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -78.9 | -5 | -177.9 | -177.1 | 0 | 0 | 0 | 0 | 113 | L773 L774 A787 | L773-V777 HydrophobicContact CD2-CG2 4.3Å; L773-V777 WeakPolarHBondContact O-CG2 3.38Å; L773-V777 PolarHBondContact O-N 3.11Å; L774-V777 PolarHBondContact O-N 3.36Å; V777-A787 HydrophobicContact CG1-CB 3.54Å |
| 778 | S | 54.5 | Low | 55.8 | Low | 23 Ų | 23 | 50.4 Ų | 50.4 | 16% | 0.161 | 28% | 0.284 | C | S | . | . | trans | -119.5 | 131.9 | -178.8 | -49.9 | 0 | 0 | 0 | 0 | 112.1 | L774 I775 I776 | L774-S778 WeakPolarHBondContact O-CB 3.29Å; L774-S778 PolarHBondContact O-N 2.89Å; L774-S778 PolarHBondContact O-OG 2.86Å; I775-S778 PolarHBondContact O-N 2.95Å; I776-S778 PolarHBondContact O-N 2.93Å | ||
| 779 | N | 51.2 | Low | 54.9 | Low | 63 Ų | 63 | 53 Ų | 53 | 34% | 0.337 | 30% | 0.298 | S | S | . | . | trans | -117.5 | 124 | -178.5 | -173.8 | -15 | 0 | 0 | 0 | 111.6 | K781 L782 F937 | N779-K781 PolarHBondContact O-N 3.16Å; N779-K781 PolarHBondContact OD1-N 3.42Å; N779-K781 VanDerWaalsContact OD1-N 3.13Å; N779-L782 HydrophobicContact CB-CB 4.47Å; N779-L782 HydrophobicContact CB-CD1 4.21Å; N779-L782 PolarHBondContact O-N 2.67Å; N779-F937 HydrophobicContact CB-CE2 4.34Å | ||
| 780 | E | 44.2 | Very low | 54.4 | Low | 114 Ų | 114 | 55.7 Ų | 55.7 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -19.4 | -180 | -63.9 | -168.9 | 117.2 | 0 | 0 | 114.7 | F858 | E780-F858 VanDerWaalsContact CD-CD1 3.42Å; E780-F858 HydrophobicContact CG-CD1 4.32Å; E780-F858 VanDerWaalsContact OE1-CD1 3.22Å; E780-F858 WeakPolarHBondContact OE1-CD1 3.48Å; E780-F858 WeakPolarHBondContact OE2-CE1 3.38Å |
| 781 | K | 46.7 | Very low | 53.8 | Low | 183 Ų | 183 | 57.5 Ų | 57.5 | 80% | 0.796 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 3 | -175.4 | -67.7 | -172.3 | 175.6 | -175.8 | 0 | 115.5 | N779 | N779-K781 PolarHBondContact O-N 3.16Å; N779-K781 PolarHBondContact OD1-N 3.42Å; N779-K781 VanDerWaalsContact OD1-N 3.13Å |
| 782 | L | 41.8 | Very low | 53.5 | Low | 68 Ų | 68 | 57.5 Ų | 57.5 | 36% | 0.356 | 32% | 0.319 | S | S | . | . | trans | -122.6 | 123.1 | -175.2 | -72 | 170.9 | 0 | 0 | 0 | 112.2 | N779 S784 | N779-L782 HydrophobicContact CB-CB 4.47Å; N779-L782 HydrophobicContact CB-CD1 4.21Å; N779-L782 PolarHBondContact O-N 2.67Å; L782-S784 PolarHBondContact O-N 2.82Å | ||
| 783 | S | 40 | Very low | 53.2 | Low | 137 Ų | 137 | 59.8 Ų | 59.8 | 96% | 0.958 | 33% | 0.33 | S | S | * | . | trans | -75.2 | 24.5 | 173.4 | 50.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 784 | S | 43.3 | Very low | 53.1 | Low | 75 Ų | 75 | 63.5 Ų | 63.5 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -93.6 | 140.7 | 178 | 56 | 0 | 0 | 0 | 0 | 111 | L782 | L782-S784 PolarHBondContact O-N 2.82Š|
| 785 | P | 46.4 | Very low | 53 | Low | 95 Ų | 95 | 63.7 Ų | 63.7 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | trans | -58.1 | 144.1 | 169.6 | 27.2 | -34.8 | 0 | 0 | 0 | 110.4 | ||||
| 786 | G | 48 | Very low | 53 | Low | 19 Ų | 19 | 63 Ų | 63 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | trans | -82 | -153.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | D850 | G786-D850 VanDerWaalsContact CA-CG 3.5Å; G786-D850 WeakPolarHBondContact CA-OD1 3.5Å; G786-D850 PolarHBondContact N-OD1 2.8Å; G786-D850 PolarHBondContact N-OD2 3.1Å | ||
| 787 | A | 51.9 | Low | 52.8 | Low | 6 Ų | 6 | 64.5 Ų | 64.5 | 5% | 0.05 | 36% | 0.362 | C | S | . | . | trans | -79.5 | 127.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V777 E791 L792 | V777-A787 HydrophobicContact CG1-CB 3.54Å; A787-E791 HydrophobicContact CB-CB 4.18Å; A787-L792 HydrophobicContact CB-CD2 3.96Å; A787-L792 HydrophobicContact CB-CG 3.9Å | ||
| 788 | T | 52.5 | Low | 52.9 | Low | 73 Ų | 73 | 64.7 Ų | 64.7 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | trans | -59 | 156.1 | 171.2 | 60.8 | 0 | 0 | 0 | 0 | 111.1 | H790 E791 L792 | T788-H790 PolarHBondContact O-N 3.11Å; T788-H790 VanDerWaalsContact O-N 3.1Å; T788-E791 WeakPolarHBondContact CB-OE2 3.48Å; T788-E791 WeakPolarHBondContact CG2-OE2 3.41Å; T788-E791 PolarHBondContact N-OE2 2.92Å; T788-E791 VanDerWaalsContact N-OE2 3.08Å; T788-E791 PolarHBondContact O-N 2.86Å; T788-E791 VanDerWaalsContact OG1-CG 3.26Å; T788-E791 WeakPolarHBondContact OG1-CG 3.28Å; T788-E791 PolarHBondContact OG1-N 2.99Å; T788-E791 PolarHBondContact OG1-OE2 2.65Å; T788-L792 PolarHBondContact O-N 2.87Å | ||
| 789 | I | 51.2 | Low | 53 | Low | 88 Ų | 88 | 65.8 Ų | 65.8 | 45% | 0.451 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -53.3 | -35.9 | 177.3 | -67.8 | 172.2 | 0 | 0 | 0 | 111.4 | Q793 | I789-Q793 WeakPolarHBondContact O-CB 3.45Å; I789-Q793 VanDerWaalsContact O-CG 3.23Å; I789-Q793 WeakPolarHBondContact O-CG 3.46Å; I789-Q793 PolarHBondContact O-N 3.27Å |
| 790 | H | 54.2 | Low | 53 | Low | 124 Ų | 124 | 69.5 Ų | 69.5 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -71.6 | -35.8 | 177.5 | -164.9 | -42.1 | 0 | 0 | 0 | 112.7 | T788 E794 | T788-H790 PolarHBondContact O-N 3.11Å; T788-H790 VanDerWaalsContact O-N 3.1Å; H790-E794 IonicContact CE1-OE1 3.89Å; H790-E794 PolarHBondContact O-N 3.46Å; H790-E794 VanDerWaalsContact O-N 3.14Å |
| 791 | E | 58.5 | Low | 53.4 | Low | 39 Ų | 39 | 69.8 Ų | 69.8 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72.2 | -36.6 | 175.2 | -72.2 | 168.7 | 120.6 | 0 | 0 | 112 | A787 T788 I795 R930 | A787-E791 HydrophobicContact CB-CB 4.18Å; T788-E791 WeakPolarHBondContact CB-OE2 3.48Å; T788-E791 WeakPolarHBondContact CG2-OE2 3.41Å; T788-E791 PolarHBondContact N-OE2 2.92Å; T788-E791 VanDerWaalsContact N-OE2 3.08Å; T788-E791 PolarHBondContact O-N 2.86Å; T788-E791 VanDerWaalsContact OG1-CG 3.26Å; T788-E791 WeakPolarHBondContact OG1-CG 3.28Å; T788-E791 PolarHBondContact OG1-N 2.99Å; T788-E791 PolarHBondContact OG1-OE2 2.65Å; E791-I795 WeakPolarHBondContact O-CD1 3.26Å; E791-I795 VanDerWaalsContact O-CG1 3.25Å; E791-I795 WeakPolarHBondContact O-CG1 3Å; E791-I795 PolarHBondContact O-N 3.36Å; E791-I795 VanDerWaalsContact O-N 3.12Å; E791-R930 PolarHBondContact O-NH2 3.33Å; E791-R930 WeakPolarHBondContact OE1-CD 3.48Å; E791-R930 IonicContact OE1-NE 3.61Å |
| 792 | L | 59.2 | Low | 53.6 | Low | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.026 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.8 | -51.7 | 170.1 | -71.5 | 172.6 | 0 | 0 | 0 | 110.5 | L773 L774 A787 T788 E794 I795 L796 L849 | L773-L792 HydrophobicContact CD2-CD2 4.35Å; L774-L792 HydrophobicContact CD2-CD1 3.96Å; L774-L792 HydrophobicContact CD2-CD2 3.77Å; A787-L792 HydrophobicContact CB-CD2 3.96Å; A787-L792 HydrophobicContact CB-CG 3.9Å; T788-L792 PolarHBondContact O-N 2.87Å; L792-E794 VanDerWaalsContact C-N 3.29Å; L792-E794 PolarHBondContact O-N 2.58Å; L792-I795 PolarHBondContact O-N 2.88Å; L792-L796 HydrophobicContact CB-CD1 4.07Å; L792-L796 WeakPolarHBondContact O-CB 3.41Å; L792-L796 WeakPolarHBondContact O-CD1 3.42Å; L792-L796 WeakPolarHBondContact O-CG 3.19Å; L792-L796 PolarHBondContact O-N 3.22Å; L792-L849 HydrophobicContact CD1-CD1 4.35Å |
| 793 | Q | 60.4 | Low | 54 | Low | 73 Ų | 73 | 64.1 Ų | 64.1 | 34% | 0.341 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -54.5 | -41.6 | 178.3 | -78.1 | 170.9 | -4.5 | 0 | 0 | 112.8 | I789 G797 L825 | I789-Q793 WeakPolarHBondContact O-CB 3.45Å; I789-Q793 VanDerWaalsContact O-CG 3.23Å; I789-Q793 WeakPolarHBondContact O-CG 3.46Å; I789-Q793 PolarHBondContact O-N 3.27Å; Q793-G797 PolarHBondContact O-N 2.86Å; Q793-L825 HydrophobicContact CG-CD2 4.39Å |
| 794 | E | 63.4 | Low | 54.5 | Low | 89 Ų | 89 | 60.8 Ų | 60.8 | 42% | 0.416 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.2 | -37.4 | 175.5 | -76.8 | -168.4 | 175.1 | 0 | 0 | 114.1 | H790 L792 L796 R930 | H790-E794 IonicContact CE1-OE1 3.89Å; H790-E794 PolarHBondContact O-N 3.46Å; H790-E794 VanDerWaalsContact O-N 3.14Å; L792-E794 VanDerWaalsContact C-N 3.29Å; L792-E794 PolarHBondContact O-N 2.58Å; E794-L796 VanDerWaalsContact C-N 3.33Å; E794-R930 IonicContact OE2-CZ 2.69Å; E794-R930 IonicContact OE2-NH1 3.96Å; E794-R930 PolarHBondContact OE2-NH1 2.77Å; E794-R930 IonicContact OE2-NH2 3.31Å |
| 795 | I | 62.8 | Low | 54.4 | Low | 10 Ų | 10 | 64.4 Ų | 64.4 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.2 | -35.5 | 178 | -68.8 | 164.3 | 0 | 0 | 0 | 110.7 | L773 E791 L792 L875 | L773-I795 HydrophobicContact CD1-CG2 3.79Å; L773-I795 HydrophobicContact CD2-CG2 4.02Å; L773-I795 HydrophobicContact CG-CG2 4.42Å; E791-I795 WeakPolarHBondContact O-CD1 3.26Å; E791-I795 VanDerWaalsContact O-CG1 3.25Å; E791-I795 WeakPolarHBondContact O-CG1 3Å; E791-I795 PolarHBondContact O-N 3.36Å; E791-I795 VanDerWaalsContact O-N 3.12Å; L792-I795 PolarHBondContact O-N 2.88Å; I795-L875 HydrophobicContact CG2-CD2 4.06Å |
| 796 | L | 60.9 | Low | 54 | Low | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -83.9 | -18.1 | -176 | -62.5 | 160.4 | 0 | 0 | 0 | 113.1 | F770 L773 L792 E794 L798 F820 L825 | F770-L796 HydrophobicContact CD2-CD1 4.18Å; F770-L796 HydrophobicContact CD2-CD2 3.88Å; F770-L796 HydrophobicContact CE2-CD1 3.65Å; F770-L796 HydrophobicContact CE2-CD2 4.19Å; L773-L796 HydrophobicContact CD1-CD2 4.36Å; L773-L796 HydrophobicContact CD2-CD2 4.27Å; L792-L796 HydrophobicContact CB-CD1 4.07Å; L792-L796 WeakPolarHBondContact O-CB 3.41Å; L792-L796 WeakPolarHBondContact O-CD1 3.42Å; L792-L796 WeakPolarHBondContact O-CG 3.19Å; L792-L796 PolarHBondContact O-N 3.22Å; E794-L796 VanDerWaalsContact C-N 3.33Å; L796-L798 PolarHBondContact O-N 3Å; L796-F820 HydrophobicContact CB-CD2 3.99Å; L796-F820 HydrophobicContact CB-CE2 4.45Å; L796-F820 HydrophobicContact CD2-CD2 3.83Å; L796-F820 HydrophobicContact CD2-CE2 3.41Å; L796-F820 VanDerWaalsContact CD2-CE2 3.41Å; L796-F820 HydrophobicContact CD2-CZ 4.02Å; L796-L825 HydrophobicContact CB-CD2 4.11Å; L796-L825 HydrophobicContact CD1-CD1 3.78Å; L796-L825 HydrophobicContact CD1-CD2 3.96Å |
| 797 | G | 58.6 | Low | 53.3 | Low | 41 Ų | 41 | 73.4 Ų | 73.4 | 42% | 0.423 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 3.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q793 | Q793-G797 PolarHBondContact O-N 2.86Š|
| 798 | L | 60.9 | Low | 52.6 | Low | 27 Ų | 27 | 77.4 Ų | 77.4 | 14% | 0.141 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -67.7 | 152.9 | 175.3 | -74.8 | 171.5 | 0 | 0 | 0 | 111.7 | L796 P818 V819 M874 Y878 | L796-L798 PolarHBondContact O-N 3Å; L798-P818 WeakPolarHBondContact O-CA 3.45Å; L798-V819 WeakPolarHBondContact O-CG2 3.27Å; L798-V819 PolarHBondContact O-N 3.37Å; L798-M874 HydrophobicContact CB-CE 4.13Å; L798-M874 HydrophobicContact CD1-CE 3.48Å; L798-M874 VanDerWaalsContact CD1-CE 3.48Å; L798-M874 HydrophobicContact CG-CE 4.42Å; L798-Y878 HydrophobicContact CD1-CD2 4.25Å; L798-Y878 HydrophobicContact CD2-CD2 4.33Å |
| 799 | P | 57 | Low | 51.7 | Low | 46 Ų | 46 | 82.9 Ų | 82.9 | 30% | 0.299 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -74.2 | 146.9 | -174.7 | -17.4 | 32.5 | 0 | 0 | 0 | 114 | E801 M802 T817 | P799-E801 VanDerWaalsContact C-N 3.26Å; P799-E801 PolarHBondContact O-N 2.82Å; P799-M802 WeakPolarHBondContact O-CB 3.43Å; P799-M802 PolarHBondContact O-N 2.74Å; P799-M802 VanDerWaalsContact O-N 3.15Å; P799-T817 WeakPolarHBondContact CA-O 3.39Å |
| 800 | Y | 51.2 | Low | 50.8 | Low | 140 Ų | 140 | 86.6 Ų | 86.6 | 55% | 0.549 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -58.9 | -32.5 | -178.5 | -177.9 | -92.7 | 0 | 0 | 0 | 114.4 | M802 L803 T817 | Y800-M802 PolarHBondContact O-N 3.44Å; Y800-L803 HydrophobicContact CD2-CD1 4.3Å; Y800-L803 HydrophobicContact CE2-CD1 4.47Å; Y800-L803 PolarHBondContact O-N 2.88Å; Y800-T817 PolarHBondContact N-O 2.88Å |
| 801 | E | 51.6 | Low | 49.6 | Very low | 121 Ų | 121 | 90.4 Ų | 90.4 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -55.6 | -23 | 178.3 | -63.7 | 173.8 | 178.8 | 0 | 0 | 113.2 | P799 L803 S804 | P799-E801 VanDerWaalsContact C-N 3.26Å; P799-E801 PolarHBondContact O-N 2.82Å; E801-L803 VanDerWaalsContact C-N 3.35Å; E801-L803 PolarHBondContact O-N 2.78Å; E801-S804 PolarHBondContact O-OG 2.95Å |
| 802 | M | 52.3 | Low | 48.4 | Very low | 84 Ų | 84 | 98.5 Ų | 98.5 | 41% | 0.414 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -79.8 | -8.3 | 179 | -62.7 | -62.3 | 179.5 | 0 | 0 | 114.7 | P799 Y800 W883 | P799-M802 WeakPolarHBondContact O-CB 3.43Å; P799-M802 PolarHBondContact O-N 2.74Å; P799-M802 VanDerWaalsContact O-N 3.15Å; Y800-M802 PolarHBondContact O-N 3.44Å; M802-W883 HydrophobicContact CB-CH2 3.92Å; M802-W883 HydrophobicContact CB-CZ3 4.38Å; M802-W883 HydrophobicContact CE-CD2 4.14Å; M802-W883 HydrophobicContact CE-CE3 3.72Å; M802-W883 HydrophobicContact CE-CH2 4.33Å; M802-W883 HydrophobicContact CE-CZ3 3.83Å; M802-W883 HydrophobicContact CG-CH2 3.68Å; M802-W883 HydrophobicContact CG-CZ2 4.49Å; M802-W883 HydrophobicContact CG-CZ3 3.69Å; M802-W883 HydrophobicContact SD-CD2 4.29Å; M802-W883 HydrophobicContact SD-CE3 4.02Å; M802-W883 HydrophobicContact SD-CH2 3.54Å; M802-W883 VanDerWaalsContact SD-CH2 3.54Å; M802-W883 HydrophobicContact SD-CZ2 3.81Å; M802-W883 HydrophobicContact SD-CZ3 3.64Å |
| 803 | L | 50.4 | Low | 47.1 | Very low | 47 Ų | 47 | 106 Ų | 106 | 25% | 0.246 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -23.6 | 174.3 | -71.8 | 172 | 0 | 0 | 0 | 112.9 | Y800 E801 N805 V819 M874 | Y800-L803 HydrophobicContact CD2-CD1 4.3Å; Y800-L803 HydrophobicContact CE2-CD1 4.47Å; Y800-L803 PolarHBondContact O-N 2.88Å; E801-L803 VanDerWaalsContact C-N 3.35Å; E801-L803 PolarHBondContact O-N 2.78Å; L803-N805 PolarHBondContact O-N 3.46Å; L803-V819 HydrophobicContact CD1-CB 4.42Å; L803-V819 HydrophobicContact CD1-CG1 3.73Å; L803-V819 HydrophobicContact CD1-CG2 3.68Å; L803-V819 HydrophobicContact CG-CG2 4.24Å; L803-M874 HydrophobicContact CD2-SD 4.22Å |
| 804 | S | 49.6 | Very low | 45.6 | Very low | 68 Ų | 68 | 110 Ų | 110 | 48% | 0.476 | 56% | 0.557 | S | S | . | * | trans | -98.3 | 88.9 | -170.5 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | E801 Q806 | E801-S804 PolarHBondContact O-OG 2.95Å; S804-Q806 VanDerWaalsContact C-N 3.26Å; S804-Q806 PolarHBondContact O-N 2.66Å | ||
| 805 | N | 40.7 | Very low | 44.3 | Very low | 150 Ų | 150 | 108.6 Ų | 108.6 | 80% | 0.802 | 56% | 0.557 | S | S | * | * | trans | -71.8 | 68.4 | 175.3 | -101.4 | -35.6 | 0 | 0 | 0 | 113.1 | L803 | L803-N805 PolarHBondContact O-N 3.46Š| ||
| 806 | Q | 39.5 | Very low | 43.4 | Very low | 163 Ų | 163 | 116.2 Ų | 116.2 | 76% | 0.762 | 60% | 0.598 | S | S | * | * | trans | -127.3 | 101 | 167.9 | -75 | -158.9 | -10.1 | 0 | 0 | 112 | S804 S808 | S804-Q806 VanDerWaalsContact C-N 3.26Å; S804-Q806 PolarHBondContact O-N 2.66Å; Q806-S808 VanDerWaalsContact C-N 3.33Å; Q806-S808 PolarHBondContact O-N 3.46Å | ||
| 807 | P | 32.9 | Very low | 42.9 | Very low | 140 Ų | 140 | 119.7 Ų | 119.7 | 91% | 0.909 | 62% | 0.619 | S | S | * | * | trans | -82.3 | 73.4 | 178 | 34 | -34.9 | 0 | 0 | 0 | 111.3 | ||||
| 808 | S | 37.4 | Very low | 42.5 | Very low | 91 Ų | 91 | 120.3 Ų | 120.3 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | trans | -133.7 | 122.4 | 175.8 | 55.3 | 0 | 0 | 0 | 0 | 112.5 | Q806 Q810 | Q806-S808 VanDerWaalsContact C-N 3.33Å; Q806-S808 PolarHBondContact O-N 3.46Å; S808-Q810 PolarHBondContact O-N 3.47Å | ||
| 809 | Q | 31.9 | Very low | 42.1 | Very low | 188 Ų | 188 | 120.9 Ų | 120.9 | 88% | 0.879 | 62% | 0.62 | S | S | * | * | trans | -58.8 | 125.1 | -177.1 | -58.9 | 157.8 | -26 | 0 | 0 | 112.7 | ||||
| 810 | Q | 34 | Very low | 42.1 | Very low | 166 Ų | 166 | 119.4 Ų | 119.4 | 78% | 0.776 | 61% | 0.609 | S | S | * | * | 173.4 | 129.4 | 123.3 | -93.4 | 165.6 | 23.6 | 0 | 0 | 112.8 | S808 | S808-Q810 PolarHBondContact O-N 3.47Š| |||
| 811 | Y | 29.1 | Very low | 42.5 | Very low | 204 Ų | 204 | 117.2 Ų | 117.2 | 80% | 0.8 | 61% | 0.607 | S | S | * | * | trans | 29.8 | 93.6 | 156.4 | -64.6 | -82.7 | 0 | 0 | 0 | 119.9 | ||||
| 812 | F | 31.8 | Very low | 42.8 | Very low | 208 Ų | 208 | 116.4 Ų | 116.4 | 91% | 0.912 | 61% | 0.606 | S | S | * | * | trans | -135.5 | 136.3 | 134.7 | -89.6 | -80 | 0 | 0 | 0 | 109.4 | ||||
| 813 | E | 32 | Very low | 43.2 | Very low | 162 Ų | 162 | 113.8 Ų | 113.8 | 76% | 0.757 | 60% | 0.602 | S | S | * | * | trans | -108.8 | 133.3 | 176.5 | -65.1 | -177.2 | 144.7 | 0 | 0 | 109.6 | ||||
| 814 | N | 29.9 | Very low | 43.8 | Very low | 159 Ų | 159 | 114.1 Ų | 114.1 | 85% | 0.85 | 61% | 0.607 | S | S | * | * | trans | 62 | 84 | 165.2 | -55.8 | -53.3 | 0 | 0 | 0 | 118.2 | ||||
| 815 | S | 36.3 | Very low | 44.3 | Very low | 59 Ų | 59 | 111 Ų | 111 | 41% | 0.413 | 59% | 0.585 | S | S | . | * | trans | -144 | 87.8 | 158.4 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | T817 | S815-T817 PolarHBondContact O-N 2.87Š| ||
| 816 | N | 44.1 | Very low | 45.1 | Very low | 170 Ų | 170 | 108.8 Ų | 108.8 | 91% | 0.909 | 57% | 0.573 | S | S | * | * | trans | -69.6 | 58.6 | 169.8 | -76.3 | -13.8 | 0 | 0 | 0 | 112 | ||||
| 817 | T | 49.5 | Very low | 46.2 | Very low | 80 Ų | 80 | 105.7 Ų | 105.7 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | trans | -94.3 | 118.2 | -179.8 | 47.3 | 0 | 0 | 0 | 0 | 110.5 | P799 Y800 S815 | P799-T817 WeakPolarHBondContact CA-O 3.39Å; Y800-T817 PolarHBondContact N-O 2.88Å; S815-T817 PolarHBondContact O-N 2.87Å | ||
| 818 | P | 51.3 | Low | 47.8 | Very low | 54 Ų | 54 | 99.1 Ų | 99.1 | 35% | 0.351 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 155.1 | 174.6 | 29.4 | -34.9 | 0 | 0 | 0 | 110.8 | L798 F820 | L798-P818 WeakPolarHBondContact O-CA 3.45Å; P818-F820 VanDerWaalsContact CG-O 3.32Å; P818-F820 WeakPolarHBondContact CG-O 3.2Å; P818-F820 PolarHBondContact O-N 3.28Å |
| 819 | V | 51.2 | Low | 49 | Very low | 38 Ų | 38 | 95.9 Ų | 95.9 | 23% | 0.23 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -55.8 | -35.8 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | L798 L803 | L798-V819 WeakPolarHBondContact O-CG2 3.27Å; L798-V819 PolarHBondContact O-N 3.37Å; L803-V819 HydrophobicContact CD1-CB 4.42Å; L803-V819 HydrophobicContact CD1-CG1 3.73Å; L803-V819 HydrophobicContact CD1-CG2 3.68Å; L803-V819 HydrophobicContact CG-CG2 4.24Å |
| 820 | F | 57 | Low | 50.4 | Low | 15 Ų | 15 | 91.7 Ų | 91.7 | 7% | 0.066 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -116.9 | 129.4 | 173.7 | -61.5 | -100.4 | 0 | 0 | 0 | 109.8 | T766 F770 L796 P818 N822 L825 L828 | T766-F820 HydrophobicContact CG2-CD1 4.12Å; T766-F820 HydrophobicContact CG2-CE1 3.63Å; T766-F820 HydrophobicContact CG2-CZ 4.25Å; F770-F820 HydrophobicContact CB-CE1 4.06Å; F770-F820 HydrophobicContact CB-CZ 3.89Å; F770-F820 HydrophobicContact CD2-CE1 4.18Å; F770-F820 HydrophobicContact CD2-CZ 4.06Å; F770-F820 HydrophobicContact CG-CE1 4.44Å; F770-F820 HydrophobicContact CG-CZ 4.43Å; L796-F820 HydrophobicContact CB-CD2 3.99Å; L796-F820 HydrophobicContact CB-CE2 4.45Å; L796-F820 HydrophobicContact CD2-CD2 3.83Å; L796-F820 HydrophobicContact CD2-CE2 3.41Å; L796-F820 VanDerWaalsContact CD2-CE2 3.41Å; L796-F820 HydrophobicContact CD2-CZ 4.02Å; P818-F820 VanDerWaalsContact CG-O 3.32Å; P818-F820 WeakPolarHBondContact CG-O 3.2Å; P818-F820 PolarHBondContact O-N 3.28Å; F820-N822 PolarHBondContact O-N 3.34Å; F820-L825 HydrophobicContact CB-CB 4.08Å; F820-L825 HydrophobicContact CB-CD1 4.43Å; F820-L825 HydrophobicContact CD1-CD1 4.04Å; F820-L825 HydrophobicContact CG-CD1 4.2Å; F820-L828 HydrophobicContact CE1-CD1 4.38Å |
| 821 | D | 60.8 | Low | 51.6 | Low | 95 Ų | 95 | 85.1 Ų | 85.1 | 51% | 0.508 | 45% | 0.446 | S | S | . | . | trans | -58.5 | 133 | 156.1 | 158.9 | 44.8 | 0 | 0 | 0 | 108.7 | G823 C824 L825 | D821-G823 VanDerWaalsContact CG-N 3.27Å; D821-G823 PolarHBondContact O-N 2.97Å; D821-G823 PolarHBondContact OD1-N 3.07Å; D821-G823 VanDerWaalsContact OD2-CA 3.31Å; D821-G823 WeakPolarHBondContact OD2-CA 3.31Å; D821-G823 PolarHBondContact OD2-N 3.08Å; D821-C824 HydrophobicContact CB-CB 4.1Å; D821-C824 PolarHBondContact O-N 3.39Å; D821-C824 VanDerWaalsContact O-N 3.13Å; D821-C824 PolarHBondContact OD2-N 2.71Å; D821-C824 PolarHBondContact OD2-SG 2.98Å; D821-L825 PolarHBondContact O-N 3.07Å | ||
| 822 | N | 58.4 | Low | 53.2 | Low | 103 Ų | 103 | 75.5 Ų | 75.5 | 55% | 0.551 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -58 | -32.4 | 177.1 | -77.2 | -28.3 | 0 | 0 | 0 | 112 | F820 L826 | F820-N822 PolarHBondContact O-N 3.34Å; N822-L826 WeakPolarHBondContact O-CB 3.49Å; N822-L826 WeakPolarHBondContact O-CD1 3.42Å; N822-L826 WeakPolarHBondContact O-CG 3.5Å; N822-L826 PolarHBondContact O-N 3.34Å |
| 823 | G | 60.2 | Low | 54.3 | Low | 30 Ų | 30 | 70.8 Ų | 70.8 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.2 | -54.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D821 L825 L826 L827 | D821-G823 VanDerWaalsContact CG-N 3.27Å; D821-G823 PolarHBondContact O-N 2.97Å; D821-G823 PolarHBondContact OD1-N 3.07Å; D821-G823 VanDerWaalsContact OD2-CA 3.31Å; D821-G823 WeakPolarHBondContact OD2-CA 3.31Å; D821-G823 PolarHBondContact OD2-N 3.08Å; G823-L825 VanDerWaalsContact C-N 3.3Å; G823-L825 PolarHBondContact O-N 2.6Å; G823-L826 PolarHBondContact O-N 3.11Å; G823-L827 WeakPolarHBondContact O-CB 3.32Å; G823-L827 VanDerWaalsContact O-CG 3.26Å; G823-L827 WeakPolarHBondContact O-CG 3.3Å; G823-L827 PolarHBondContact O-N 3.24Å |
| 824 | C | 61.5 | Low | 55.2 | Low | 54 Ų | 54 | 68.2 Ų | 68.2 | 37% | 0.365 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.2 | -38.2 | 175.2 | -66.2 | 0 | 0 | 0 | 0 | 113 | D821 L827 L828 | D821-C824 HydrophobicContact CB-CB 4.1Å; D821-C824 PolarHBondContact O-N 3.39Å; D821-C824 VanDerWaalsContact O-N 3.13Å; D821-C824 PolarHBondContact OD2-N 2.71Å; D821-C824 PolarHBondContact OD2-SG 2.98Å; C824-L827 PolarHBondContact O-N 3.48Å; C824-L828 WeakPolarHBondContact O-CB 3.38Å; C824-L828 PolarHBondContact O-N 2.77Å |
| 825 | L | 61.7 | Low | 56.5 | Low | 3 Ų | 3 | 61.1 Ų | 61.1 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.9 | -47.8 | 177.8 | -174.1 | 65.9 | 0 | 0 | 0 | 111.6 | F770 Q793 L796 F820 D821 G823 L827 L828 L829 | F770-L825 HydrophobicContact CD2-CD1 4.27Å; F770-L825 HydrophobicContact CE2-CD1 3.86Å; Q793-L825 HydrophobicContact CG-CD2 4.39Å; L796-L825 HydrophobicContact CB-CD2 4.11Å; L796-L825 HydrophobicContact CD1-CD1 3.78Å; L796-L825 HydrophobicContact CD1-CD2 3.96Å; F820-L825 HydrophobicContact CB-CB 4.08Å; F820-L825 HydrophobicContact CB-CD1 4.43Å; F820-L825 HydrophobicContact CD1-CD1 4.04Å; F820-L825 HydrophobicContact CG-CD1 4.2Å; D821-L825 PolarHBondContact O-N 3.07Å; G823-L825 VanDerWaalsContact C-N 3.3Å; G823-L825 PolarHBondContact O-N 2.6Å; L825-L827 VanDerWaalsContact C-N 3.29Å; L825-L827 PolarHBondContact O-N 3.1Å; L825-L828 WeakPolarHBondContact O-CB 3.33Å; L825-L828 PolarHBondContact O-N 3.1Å; L825-L829 HydrophobicContact CG-CD1 4.01Å; L825-L829 HydrophobicContact CG-CG 4.42Å; L825-L829 VanDerWaalsContact O-CG 3.27Å; L825-L829 WeakPolarHBondContact O-CG 3.18Å; L825-L829 PolarHBondContact O-N 2.9Å |
| 826 | L | 57.8 | Low | 57.3 | Low | 102 Ų | 102 | 59.3 Ų | 59.3 | 53% | 0.534 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 175.7 | -72.8 | 168 | 0 | 0 | 0 | 111.3 | N822 G823 H830 | N822-L826 WeakPolarHBondContact O-CB 3.49Å; N822-L826 WeakPolarHBondContact O-CD1 3.42Å; N822-L826 WeakPolarHBondContact O-CG 3.5Å; N822-L826 PolarHBondContact O-N 3.34Å; G823-L826 PolarHBondContact O-N 3.11Å; L826-H830 WeakPolarHBondContact O-CB 3.43Å; L826-H830 PolarHBondContact O-N 2.96Å |
| 827 | L | 62 | Low | 57.8 | Low | 98 Ų | 98 | 52.3 Ų | 52.3 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 174.6 | -73 | 169.6 | 0 | 0 | 0 | 112.7 | F762 G823 C824 L825 S831 | F762-L827 HydrophobicContact CE1-CB 3.65Å; F762-L827 HydrophobicContact CZ-CB 3.78Å; G823-L827 WeakPolarHBondContact O-CB 3.32Å; G823-L827 VanDerWaalsContact O-CG 3.26Å; G823-L827 WeakPolarHBondContact O-CG 3.3Å; G823-L827 PolarHBondContact O-N 3.24Å; C824-L827 PolarHBondContact O-N 3.48Å; L825-L827 VanDerWaalsContact C-N 3.29Å; L825-L827 PolarHBondContact O-N 3.1Å; L827-S831 VanDerWaalsContact O-CB 3.3Å; L827-S831 WeakPolarHBondContact O-CB 3.41Å; L827-S831 PolarHBondContact O-N 3.3Å; L827-S831 PolarHBondContact O-OG 3.25Å |
| 828 | L | 65.4 | Low | 57.9 | Low | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -55.7 | 172 | -94.1 | 164.8 | 0 | 0 | 0 | 111 | F762 V767 F820 C824 L825 H830 S831 F832 | F762-L828 HydrophobicContact CB-CD1 4.06Å; F762-L828 HydrophobicContact CB-CD2 4.16Å; F762-L828 HydrophobicContact CB-CG 4.12Å; F762-L828 HydrophobicContact CD1-CD1 4.36Å; F762-L828 HydrophobicContact CD1-CG 3.94Å; F762-L828 HydrophobicContact CD2-CD2 3.49Å; F762-L828 VanDerWaalsContact CD2-CD2 3.49Å; F762-L828 HydrophobicContact CD2-CG 3.74Å; F762-L828 HydrophobicContact CE1-CG 4.27Å; F762-L828 HydrophobicContact CE2-CD2 3.97Å; F762-L828 HydrophobicContact CE2-CG 4.08Å; F762-L828 HydrophobicContact CG-CD1 4.1Å; F762-L828 HydrophobicContact CG-CD2 3.84Å; F762-L828 HydrophobicContact CG-CG 3.66Å; F762-L828 HydrophobicContact CZ-CG 4.34Å; V767-L828 HydrophobicContact CG2-CD2 4.09Å; F820-L828 HydrophobicContact CE1-CD1 4.38Å; C824-L828 WeakPolarHBondContact O-CB 3.38Å; C824-L828 PolarHBondContact O-N 2.77Å; L825-L828 WeakPolarHBondContact O-CB 3.33Å; L825-L828 PolarHBondContact O-N 3.1Å; L828-H830 VanDerWaalsContact C-N 3.31Å; L828-H830 PolarHBondContact O-N 3.41Å; L828-S831 CarbonylContact O-C 3.59Å; L828-S831 WeakPolarHBondContact O-CA 3.38Å; L828-S831 VanDerWaalsContact O-CB 3.24Å; L828-S831 WeakPolarHBondContact O-CB 3.35Å; L828-S831 PolarHBondContact O-N 2.93Å; L828-F832 HydrophobicContact CB-CE2 4.39Å; L828-F832 HydrophobicContact CD2-CE2 3.91Å; L828-F832 WeakPolarHBondContact O-CD2 3.34Å; L828-F832 PolarHBondContact O-N 2.78Å |
| 829 | L | 63.2 | Low | 57.8 | Low | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -53.3 | -48.4 | 179.1 | -67.4 | 168.7 | 0 | 0 | 0 | 111.2 | F770 L825 S831 F832 E833 L849 | F770-L829 HydrophobicContact CZ-CD2 3.92Å; L825-L829 HydrophobicContact CG-CD1 4.01Å; L825-L829 HydrophobicContact CG-CG 4.42Å; L825-L829 VanDerWaalsContact O-CG 3.27Å; L825-L829 WeakPolarHBondContact O-CG 3.18Å; L825-L829 PolarHBondContact O-N 2.9Å; L829-S831 PolarHBondContact O-N 3.44Å; L829-F832 WeakPolarHBondContact O-CB 3.27Å; L829-F832 PolarHBondContact O-N 3.23Å; L829-F832 VanDerWaalsContact O-N 3.13Å; L829-E833 WeakPolarHBondContact O-CG 3.46Å; L829-E833 PolarHBondContact O-N 3.06Å; L829-L849 HydrophobicContact CD2-CD1 3.37Å |
| 830 | H | 60.8 | Low | 57.6 | Low | 100 Ų | 100 | 54.3 Ų | 54.3 | 46% | 0.463 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64 | -25.3 | 176.2 | -170 | 59.8 | 0 | 0 | 0 | 113.8 | L826 L828 E833 K834 | L826-H830 WeakPolarHBondContact O-CB 3.43Å; L826-H830 PolarHBondContact O-N 2.96Å; L828-H830 VanDerWaalsContact C-N 3.31Å; L828-H830 PolarHBondContact O-N 3.41Å; H830-E833 IonicContact CE1-OE2 2.66Å; H830-E833 PolarHBondContact CE1-OE2 3.47Å; H830-E833 IonicContact ND1-OE2 2.64Å; H830-E833 PolarHBondContact ND1-OE2 2.67Å; H830-K834 WeakPolarHBondContact O-CB 3.39Å; H830-K834 WeakPolarHBondContact O-CG 3.49Å; H830-K834 PolarHBondContact O-N 2.89Å |
| 831 | S | 60.2 | Low | 57.1 | Low | 28 Ų | 28 | 55.3 Ų | 55.3 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -77 | -39 | 172.7 | -62.7 | 0 | 0 | 0 | 0 | 112.1 | L827 L828 L829 K834 S835 | L827-S831 VanDerWaalsContact O-CB 3.3Å; L827-S831 WeakPolarHBondContact O-CB 3.41Å; L827-S831 PolarHBondContact O-N 3.3Å; L827-S831 PolarHBondContact O-OG 3.25Å; L828-S831 CarbonylContact O-C 3.59Å; L828-S831 WeakPolarHBondContact O-CA 3.38Å; L828-S831 VanDerWaalsContact O-CB 3.24Å; L828-S831 WeakPolarHBondContact O-CB 3.35Å; L828-S831 PolarHBondContact O-N 2.93Å; L829-S831 PolarHBondContact O-N 3.44Å; S831-K834 PolarHBondContact O-N 3.43Å; S831-S835 PolarHBondContact O-N 3.43Å; S831-S835 VanDerWaalsContact O-N 3.16Å |
| 832 | F | 62.3 | Low | 56.4 | Low | 3 Ų | 3 | 57.3 Ų | 57.3 | 1% | 0.013 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 170.2 | -72.9 | -83.6 | 0 | 0 | 0 | 110.6 | F754 F770 I771 L828 L829 K834 S835 L849 F853 | F754-F832 HydrophobicContact CD1-CE1 4.35Å; F754-F832 AromaticContact CE1-CD1 3.83Å; F754-F832 HydrophobicContact CE1-CD1 3.83Å; F754-F832 AromaticContact CE1-CE1 3.2Å; F754-F832 HydrophobicContact CE1-CE1 3.2Å; F754-F832 AromaticContact CE1-CZ 3.73Å; F754-F832 HydrophobicContact CE1-CZ 3.73Å; F754-F832 HydrophobicContact CE2-CD1 4.37Å; F754-F832 HydrophobicContact CE2-CE1 4.47Å; F754-F832 AromaticContact CZ-CD1 3.37Å; F754-F832 HydrophobicContact CZ-CD1 3.37Å; F754-F832 AromaticContact CZ-CE1 3.29Å; F754-F832 HydrophobicContact CZ-CE1 3.29Å; F754-F832 HydrophobicContact CZ-CG 4.26Å; F754-F832 HydrophobicContact CZ-CZ 4.11Å; F770-F832 AromaticContact CD1-CE2 3.64Å; F770-F832 HydrophobicContact CD1-CE2 3.64Å; F770-F832 AromaticContact CD1-CZ 3.77Å; F770-F832 HydrophobicContact CD1-CZ 3.77Å; F770-F832 AromaticContact CE1-CD2 3.97Å; F770-F832 HydrophobicContact CE1-CD2 3.97Å; F770-F832 AromaticContact CE1-CE2 3.3Å; F770-F832 HydrophobicContact CE1-CE2 3.3Å; F770-F832 AromaticContact CE1-CZ 3.72Å; F770-F832 HydrophobicContact CE1-CZ 3.72Å; F770-F832 HydrophobicContact CZ-CE2 4.41Å; I771-F832 HydrophobicContact CD1-CZ 4.45Å; I771-F832 HydrophobicContact CG1-CE1 4.46Å; I771-F832 HydrophobicContact CG1-CZ 4.19Å; L828-F832 HydrophobicContact CB-CE2 4.39Å; L828-F832 HydrophobicContact CD2-CE2 3.91Å; L828-F832 WeakPolarHBondContact O-CD2 3.34Å; L828-F832 PolarHBondContact O-N 2.78Å; L829-F832 WeakPolarHBondContact O-CB 3.27Å; L829-F832 PolarHBondContact O-N 3.23Å; L829-F832 VanDerWaalsContact O-N 3.13Å; F832-K834 PolarHBondContact O-N 3.06Å; F832-K834 VanDerWaalsContact O-N 3.15Å; F832-S835 WeakPolarHBondContact O-CB 3.48Å; F832-S835 PolarHBondContact O-N 2.84Å; F832-L849 HydrophobicContact CB-CD2 4.08Å; F832-L849 HydrophobicContact CG-CD2 4.41Å; F832-F853 HydrophobicContact CD1-CD1 4.42Å; F832-F853 AromaticContact CD1-CE1 3.57Å; F832-F853 HydrophobicContact CD1-CE1 3.57Å; F832-F853 HydrophobicContact CD1-CE2 4.08Å; F832-F853 AromaticContact CD1-CZ 3.39Å; F832-F853 HydrophobicContact CD1-CZ 3.39Å; F832-F853 AromaticContact CE1-CE1 3.46Å; F832-F853 HydrophobicContact CE1-CE1 3.46Å; F832-F853 VanDerWaalsContact CE1-CE1 3.46Å; F832-F853 AromaticContact CE1-CZ 3.46Å; F832-F853 HydrophobicContact CE1-CZ 3.46Å; F832-F853 VanDerWaalsContact CE1-CZ 3.46Å |
| 833 | E | 54.2 | Low | 55.7 | Low | 109 Ų | 109 | 58.4 Ų | 58.4 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.7 | -28 | 175.2 | -73.7 | -175 | 140.1 | 0 | 0 | 113.9 | L829 H830 R839 | L829-E833 WeakPolarHBondContact O-CG 3.46Å; L829-E833 PolarHBondContact O-N 3.06Å; H830-E833 IonicContact CE1-OE2 2.66Å; H830-E833 PolarHBondContact CE1-OE2 3.47Å; H830-E833 IonicContact ND1-OE2 2.64Å; H830-E833 PolarHBondContact ND1-OE2 2.67Å; E833-R839 VanDerWaalsContact O-CZ 3.24Å; E833-R839 PolarHBondContact O-NE 2.97Å; E833-R839 PolarHBondContact O-NH2 2.69Å |
| 834 | K | 51.7 | Low | 54.9 | Low | 107 Ų | 107 | 60.7 Ų | 60.7 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -89.9 | -11.4 | 178.3 | -81.7 | 175.2 | 166.6 | 171.5 | 0 | 113.9 | H830 S831 F832 | H830-K834 WeakPolarHBondContact O-CB 3.39Å; H830-K834 WeakPolarHBondContact O-CG 3.49Å; H830-K834 PolarHBondContact O-N 2.89Å; S831-K834 PolarHBondContact O-N 3.43Å; F832-K834 PolarHBondContact O-N 3.06Å; F832-K834 VanDerWaalsContact O-N 3.15Å |
| 835 | S | 57 | Low | 53.9 | Low | 11 Ų | 11 | 61.7 Ų | 61.7 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | trans | -69.9 | 132.6 | -179.5 | -172 | 0 | 0 | 0 | 0 | 112 | S831 F832 T837 A838 R839 | S831-S835 PolarHBondContact O-N 3.43Å; S831-S835 VanDerWaalsContact O-N 3.16Å; F832-S835 WeakPolarHBondContact O-CB 3.48Å; F832-S835 PolarHBondContact O-N 2.84Å; S835-T837 PolarHBondContact O-N 3.22Å; S835-T837 PolarHBondContact OG-N 3.08Å; S835-T837 PolarHBondContact OG-OG1 2.88Å; S835-A838 PolarHBondContact O-N 3.34Å; S835-R839 PolarHBondContact O-N 3.11Å | ||
| 836 | L | 53.1 | Low | 52.8 | Low | 21 Ų | 21 | 66.9 Ų | 66.9 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -23.5 | 172.9 | -81.4 | 128.4 | 0 | 0 | 0 | 112.8 | A723 I728 L746 A838 R839 L840 | A723-L836 HydrophobicContact CB-CD2 4.24Å; I728-L836 HydrophobicContact CD1-CD1 4.08Å; L746-L836 HydrophobicContact CD2-CD1 4.37Å; L836-A838 VanDerWaalsContact C-N 3.27Å; L836-A838 PolarHBondContact O-N 2.67Å; L836-R839 PolarHBondContact O-N 3.3Å; L836-L840 HydrophobicContact CB-CD1 4.07Å; L836-L840 HydrophobicContact CB-CG 4.41Å; L836-L840 HydrophobicContact CD2-CD1 3.87Å; L836-L840 HydrophobicContact CD2-CD2 4.41Å; L836-L840 HydrophobicContact CD2-CG 4.08Å; L836-L840 VanDerWaalsContact O-CB 3.28Å; L836-L840 WeakPolarHBondContact O-CB 3.49Å; L836-L840 VanDerWaalsContact O-CG 3.31Å; L836-L840 WeakPolarHBondContact O-CG 3.5Å; L836-L840 PolarHBondContact O-N 3.34Å |
| 837 | T | 54.2 | Low | 51.9 | Low | 22 Ų | 22 | 65.4 Ų | 65.4 | 14% | 0.135 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.5 | -28.8 | 170.8 | 44.7 | 0 | 0 | 0 | 0 | 113.9 | H748 S835 | H748-T837 HydrophobicContact CB-CG2 3.87Å; H748-T837 WeakPolarHBondContact O-CG2 3.47Å; S835-T837 PolarHBondContact O-N 3.22Å; S835-T837 PolarHBondContact OG-N 3.08Å; S835-T837 PolarHBondContact OG-OG1 2.88Å |
| 838 | A | 51.5 | Low | 51.2 | Low | 45 Ų | 45 | 63.6 Ų | 63.6 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -86.8 | -21.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S835 L836 F853 | S835-A838 PolarHBondContact O-N 3.34Å; L836-A838 VanDerWaalsContact C-N 3.27Å; L836-A838 PolarHBondContact O-N 2.67Å; A838-F853 HydrophobicContact CB-CD2 4.42Å |
| 839 | R | 49.1 | Very low | 50.3 | Low | 105 Ų | 105 | 65 Ų | 65 | 40% | 0.396 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -97.8 | -16.6 | -177.9 | -63 | 177 | 176.8 | -148.8 | -9.4 | 114.9 | E833 S835 L836 | E833-R839 VanDerWaalsContact O-CZ 3.24Å; E833-R839 PolarHBondContact O-NE 2.97Å; E833-R839 PolarHBondContact O-NH2 2.69Å; S835-R839 PolarHBondContact O-N 3.11Å; L836-R839 PolarHBondContact O-N 3.3Å |
| 840 | L | 48.5 | Very low | 49.6 | Very low | 65 Ų | 65 | 65.7 Ų | 65.7 | 34% | 0.34 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -106.6 | 54.8 | 178.5 | -59.9 | 174.4 | 0 | 0 | 0 | 110.6 | L836 K856 | L836-L840 HydrophobicContact CB-CD1 4.07Å; L836-L840 HydrophobicContact CB-CG 4.41Å; L836-L840 HydrophobicContact CD2-CD1 3.87Å; L836-L840 HydrophobicContact CD2-CD2 4.41Å; L836-L840 HydrophobicContact CD2-CG 4.08Å; L836-L840 VanDerWaalsContact O-CB 3.28Å; L836-L840 WeakPolarHBondContact O-CB 3.49Å; L836-L840 VanDerWaalsContact O-CG 3.31Å; L836-L840 WeakPolarHBondContact O-CG 3.5Å; L836-L840 PolarHBondContact O-N 3.34Å; L840-K856 PolarHBondContact O-NZ 2.93Å |
| 841 | G | 46.2 | Very low | 49 | Very low | 35 Ų | 35 | 62.7 Ų | 62.7 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | trans | -111.5 | 136.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 842 | H | 46.1 | Very low | 48.3 | Very low | 137 Ų | 137 | 65.2 Ų | 65.2 | 63% | 0.634 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -72.2 | 137.1 | 168.8 | -73.9 | -93.8 | 0 | 0 | 0 | 110 | S844 | H842-S844 PolarHBondContact O-N 3.45Š|
| 843 | Q | 43.2 | Very low | 47.8 | Very low | 127 Ų | 127 | 66 Ų | 66 | 59% | 0.593 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 48.4 | 61.7 | 157.6 | -63.8 | -178.4 | -21.4 | 0 | 0 | 117.3 | E509 | E509-Q843 PolarHBondContact OE1-NE2 3.2Å; E509-Q843 PolarHBondContact OE2-NE2 2.94Å |
| 844 | S | 42.6 | Very low | 47.9 | Very low | 78 Ų | 78 | 61.3 Ų | 61.3 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | trans | -153.7 | 133.2 | 152.2 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | H842 | H842-S844 PolarHBondContact O-N 3.45Š| ||
| 845 | P | 41.2 | Very low | 47.9 | Very low | 74 Ų | 74 | 62.1 Ų | 62.1 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | trans | -71.5 | 151.4 | -179.3 | 30.7 | -35.7 | 0 | 0 | 0 | 112.7 | N457 C847 | N457-P845 HydrophobicContact CB-CB 3.64Å; N457-P845 HydrophobicContact CB-CG 4.24Å; N457-P845 VanDerWaalsContact CG-CB 3.42Å; N457-P845 WeakPolarHBondContact ND2-CG 3.34Å; P845-C847 PolarHBondContact O-N 3.16Å | ||
| 846 | I | 38.2 | Very low | 47.5 | Very low | 112 Ų | 112 | 65.4 Ų | 65.4 | 57% | 0.574 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -84.1 | 82.9 | -168.3 | -49.7 | 166.3 | 0 | 0 | 0 | 110.2 | N460 | N460-I846 PolarHBondContact ND2-O 3.38Š|
| 847 | C | 39.9 | Very low | 47.6 | Very low | 72 Ų | 72 | 65.2 Ų | 65.2 | 49% | 0.486 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -132.9 | 10.5 | -179.5 | -103.6 | 0 | 0 | 0 | 0 | 116.2 | N457 P845 | N457-C847 WeakPolarHBondContact OD1-CB 3.37Å; N457-C847 PolarHBondContact OD1-SG 3.44Å; P845-C847 PolarHBondContact O-N 3.16Å |
| 848 | S | 46 | Very low | 47.6 | Very low | 59 Ų | 59 | 67.5 Ų | 67.5 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | trans | -167.8 | 173.3 | 170.6 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | D850 | S848-D850 WeakPolarHBondContact CB-OD2 3.49Å; S848-D850 PolarHBondContact O-N 3.2Å; S848-D850 VanDerWaalsContact OG-CB 3.3Å; S848-D850 WeakPolarHBondContact OG-CB 3.37Å; S848-D850 PolarHBondContact OG-OD2 3.05Å | ||
| 849 | L | 46.9 | Very low | 47.7 | Very low | 34 Ų | 34 | 68.8 Ų | 68.8 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -85.7 | 12.9 | 169.9 | -93.7 | 156.5 | 0 | 0 | 0 | 112.5 | L792 L829 F832 | L792-L849 HydrophobicContact CD1-CD1 4.35Å; L829-L849 HydrophobicContact CD2-CD1 3.37Å; F832-L849 HydrophobicContact CB-CD2 4.08Å; F832-L849 HydrophobicContact CG-CD2 4.41Å |
| 850 | D | 49.3 | Very low | 47.7 | Very low | 35 Ų | 35 | 69.8 Ų | 69.8 | 19% | 0.187 | 38% | 0.375 | C | S | . | . | trans | -70.2 | 162.4 | -163.3 | -65.9 | -17.7 | 0 | 0 | 0 | 114.1 | G786 S848 Y852 F853 | G786-D850 VanDerWaalsContact CA-CG 3.5Å; G786-D850 WeakPolarHBondContact CA-OD1 3.5Å; G786-D850 PolarHBondContact N-OD1 2.8Å; G786-D850 PolarHBondContact N-OD2 3.1Å; S848-D850 WeakPolarHBondContact CB-OD2 3.49Å; S848-D850 PolarHBondContact O-N 3.2Å; S848-D850 VanDerWaalsContact OG-CB 3.3Å; S848-D850 WeakPolarHBondContact OG-CB 3.37Å; S848-D850 PolarHBondContact OG-OD2 3.05Å; D850-Y852 PolarHBondContact O-N 3.28Å; D850-F853 PolarHBondContact O-N 3.25Å | ||
| 851 | G | 47.1 | Very low | 47.9 | Very low | 38 Ų | 38 | 68.5 Ų | 68.5 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -90.3 | 147.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F853 V854 Y855 | G851-F853 PolarHBondContact O-N 3.38Å; G851-V854 PolarHBondContact O-N 3.38Å; G851-Y855 WeakPolarHBondContact O-CB 3.22Å; G851-Y855 PolarHBondContact O-N 2.97Å |
| 852 | Y | 45.9 | Very low | 48.3 | Very low | 81 Ų | 81 | 76.2 Ų | 76.2 | 32% | 0.318 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.5 | -42.8 | -175.5 | -168.4 | -100.5 | 0 | 0 | 0 | 114.1 | D850 Y855 K856 | D850-Y852 PolarHBondContact O-N 3.28Å; Y852-Y855 PolarHBondContact O-N 2.7Å; Y852-K856 HydrophobicContact CE1-CD 3.68Å; Y852-K856 WeakPolarHBondContact O-CB 3.29Å; Y852-K856 PolarHBondContact O-N 3.01Å; Y852-K856 WeakPolarHBondContact OH-CE 3.26Å; Y852-K856 PolarHBondContact OH-NZ 2.85Å |
| 853 | F | 52.3 | Low | 48.8 | Very low | 18 Ų | 18 | 71.8 Ų | 71.8 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 178.7 | -176.8 | -97.7 | 0 | 0 | 0 | 111.3 | F754 F832 A838 D850 G851 L857 | F754-F853 HydrophobicContact CD2-CZ 4.42Å; F754-F853 HydrophobicContact CE1-CZ 4.18Å; F754-F853 HydrophobicContact CE2-CE2 4.07Å; F754-F853 AromaticContact CE2-CZ 3.88Å; F754-F853 HydrophobicContact CE2-CZ 3.88Å; F754-F853 HydrophobicContact CZ-CE2 4.34Å; F754-F853 AromaticContact CZ-CZ 3.78Å; F754-F853 HydrophobicContact CZ-CZ 3.78Å; F832-F853 HydrophobicContact CD1-CD1 4.42Å; F832-F853 AromaticContact CD1-CE1 3.57Å; F832-F853 HydrophobicContact CD1-CE1 3.57Å; F832-F853 HydrophobicContact CD1-CE2 4.08Å; F832-F853 AromaticContact CD1-CZ 3.39Å; F832-F853 HydrophobicContact CD1-CZ 3.39Å; F832-F853 AromaticContact CE1-CE1 3.46Å; F832-F853 HydrophobicContact CE1-CE1 3.46Å; F832-F853 VanDerWaalsContact CE1-CE1 3.46Å; F832-F853 AromaticContact CE1-CZ 3.46Å; F832-F853 HydrophobicContact CE1-CZ 3.46Å; F832-F853 VanDerWaalsContact CE1-CZ 3.46Å; A838-F853 HydrophobicContact CB-CD2 4.42Å; D850-F853 PolarHBondContact O-N 3.25Å; G851-F853 PolarHBondContact O-N 3.38Å; F853-L857 HydrophobicContact CD1-CD1 4.01Å; F853-L857 HydrophobicContact CE1-CD1 3.39Å; F853-L857 HydrophobicContact CE1-CG 4.45Å; F853-L857 HydrophobicContact CE2-CD1 4.49Å; F853-L857 HydrophobicContact CZ-CD1 3.66Å; F853-L857 HydrophobicContact CZ-CG 4.46Å; F853-L857 WeakPolarHBondContact O-CG 3.39Å; F853-L857 PolarHBondContact O-N 3.48Å |
| 854 | V | 55.8 | Low | 49.8 | Very low | 11 Ų | 11 | 68.9 Ų | 68.9 | 7% | 0.067 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.8 | -49.1 | 175 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | L774 I775 G851 K856 L857 F858 | L774-V854 HydrophobicContact CB-CG2 4.26Å; I775-V854 HydrophobicContact CB-CG1 4.46Å; I775-V854 HydrophobicContact CG1-CG1 3.84Å; G851-V854 PolarHBondContact O-N 3.38Å; V854-K856 PolarHBondContact O-N 3.23Å; V854-L857 CarbonylContact O-C 3.28Å; V854-L857 WeakPolarHBondContact O-CA 3.34Å; V854-L857 WeakPolarHBondContact O-CB 3.32Å; V854-L857 PolarHBondContact O-N 2.86Å; V854-F858 WeakPolarHBondContact O-CB 3.45Å; V854-F858 PolarHBondContact O-N 3.32Å |
| 855 | Y | 51.1 | Low | 50.8 | Low | 125 Ų | 125 | 69.8 Ų | 69.8 | 49% | 0.49 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.4 | -45 | 179.9 | 173.4 | -101.1 | 0 | 0 | 0 | 112.9 | G851 Y852 L857 F858 T859 | G851-Y855 WeakPolarHBondContact O-CB 3.22Å; G851-Y855 PolarHBondContact O-N 2.97Å; Y852-Y855 PolarHBondContact O-N 2.7Å; Y855-L857 PolarHBondContact O-N 3.36Å; Y855-F858 PolarHBondContact O-N 2.98Å; Y855-T859 HydrophobicContact CD1-CG2 4.31Å; Y855-T859 HydrophobicContact CD2-CG2 3.67Å; Y855-T859 HydrophobicContact CE1-CG2 4.08Å; Y855-T859 HydrophobicContact CE2-CG2 3.41Å; Y855-T859 VanDerWaalsContact CE2-CG2 3.41Å; Y855-T859 HydrophobicContact CG-CG2 4.13Å; Y855-T859 WeakPolarHBondContact O-CB 3.31Å; Y855-T859 VanDerWaalsContact O-CG2 3.28Å; Y855-T859 WeakPolarHBondContact O-CG2 3.41Å; Y855-T859 PolarHBondContact O-N 3.46Å; Y855-T859 PolarHBondContact O-OG1 3.34Å |
| 856 | K | 48.9 | Very low | 51.9 | Low | 80 Ų | 80 | 73.8 Ų | 73.8 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.7 | -15.7 | 178.6 | -147 | 170.1 | -170.7 | 169.9 | 0 | 112.8 | L840 Y852 V854 | L840-K856 PolarHBondContact O-NZ 2.93Å; Y852-K856 HydrophobicContact CE1-CD 3.68Å; Y852-K856 WeakPolarHBondContact O-CB 3.29Å; Y852-K856 PolarHBondContact O-N 3.01Å; Y852-K856 WeakPolarHBondContact OH-CE 3.26Å; Y852-K856 PolarHBondContact OH-NZ 2.85Å; V854-K856 PolarHBondContact O-N 3.23Å |
| 857 | L | 55.3 | Low | 52.9 | Low | 16 Ų | 16 | 69.5 Ų | 69.5 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -92.7 | -39.5 | 168.9 | -63.2 | 174.5 | 0 | 0 | 0 | 112.5 | L751 I771 F853 V854 Y855 N861 | L751-L857 HydrophobicContact CB-CD2 3.99Å; L751-L857 HydrophobicContact CD1-CB 4.28Å; L751-L857 HydrophobicContact CD1-CD1 3.95Å; L751-L857 HydrophobicContact CD1-CD2 3.84Å; L751-L857 HydrophobicContact CD1-CG 4.25Å; I771-L857 HydrophobicContact CG2-CD1 4.43Å; F853-L857 HydrophobicContact CD1-CD1 4.01Å; F853-L857 HydrophobicContact CE1-CD1 3.39Å; F853-L857 HydrophobicContact CE1-CG 4.45Å; F853-L857 HydrophobicContact CE2-CD1 4.49Å; F853-L857 HydrophobicContact CZ-CD1 3.66Å; F853-L857 HydrophobicContact CZ-CG 4.46Å; F853-L857 WeakPolarHBondContact O-CG 3.39Å; F853-L857 PolarHBondContact O-N 3.48Å; V854-L857 CarbonylContact O-C 3.28Å; V854-L857 WeakPolarHBondContact O-CA 3.34Å; V854-L857 WeakPolarHBondContact O-CB 3.32Å; V854-L857 PolarHBondContact O-N 2.86Å; Y855-L857 PolarHBondContact O-N 3.36Å; L857-N861 PolarHBondContact O-ND2 2.87Å |
| 858 | F | 54.9 | Low | 54.1 | Low | 71 Ų | 71 | 68 Ų | 68 | 31% | 0.311 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73 | -41.3 | -173.6 | -155.4 | -90.3 | 0 | 0 | 0 | 112.3 | I775 E780 V854 Y855 K860 N861 V863 | I775-F858 HydrophobicContact CD1-CD2 4.49Å; I775-F858 HydrophobicContact CG1-CD2 4.38Å; I775-F858 HydrophobicContact CG2-CD2 4.08Å; I775-F858 HydrophobicContact CG2-CE2 3.76Å; E780-F858 VanDerWaalsContact CD-CD1 3.42Å; E780-F858 HydrophobicContact CG-CD1 4.32Å; E780-F858 VanDerWaalsContact OE1-CD1 3.22Å; E780-F858 WeakPolarHBondContact OE1-CD1 3.48Å; E780-F858 WeakPolarHBondContact OE2-CE1 3.38Å; V854-F858 WeakPolarHBondContact O-CB 3.45Å; V854-F858 PolarHBondContact O-N 3.32Å; Y855-F858 PolarHBondContact O-N 2.98Å; F858-K860 PolarHBondContact O-N 2.87Å; F858-N861 PolarHBondContact O-N 3.25Å; F858-V863 HydrophobicContact CD2-CG2 4.29Å; F858-V863 HydrophobicContact CE2-CG2 3.9Å |
| 859 | T | 52.9 | Low | 55 | Low | 71 Ų | 71 | 69.2 Ų | 69.2 | 44% | 0.436 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -2.8 | 179.4 | 47 | 0 | 0 | 0 | 0 | 116.2 | Y855 | Y855-T859 HydrophobicContact CD1-CG2 4.31Å; Y855-T859 HydrophobicContact CD2-CG2 3.67Å; Y855-T859 HydrophobicContact CE1-CG2 4.08Å; Y855-T859 HydrophobicContact CE2-CG2 3.41Å; Y855-T859 VanDerWaalsContact CE2-CG2 3.41Å; Y855-T859 HydrophobicContact CG-CG2 4.13Å; Y855-T859 WeakPolarHBondContact O-CB 3.31Å; Y855-T859 VanDerWaalsContact O-CG2 3.28Å; Y855-T859 WeakPolarHBondContact O-CG2 3.41Å; Y855-T859 PolarHBondContact O-N 3.46Å; Y855-T859 PolarHBondContact O-OG1 3.34Å |
| 860 | K | 49.7 | Very low | 55.8 | Low | 126 Ų | 126 | 70.3 Ų | 70.3 | 55% | 0.548 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | -0.1 | 179 | -69.1 | -173.6 | 179 | 177.6 | 0 | 115.8 | F858 | F858-K860 PolarHBondContact O-N 2.87Š|
| 861 | N | 52.2 | Low | 56.5 | Low | 39 Ų | 39 | 68.9 Ų | 68.9 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | trans | -139.4 | 145.8 | -169.2 | -58.3 | -83.7 | 0 | 0 | 0 | 113.3 | L751 L857 F858 | L751-N861 WeakPolarHBondContact CB-ND2 3.33Å; L751-N861 HydrophobicContact CD2-CB 3.87Å; L857-N861 PolarHBondContact O-ND2 2.87Å; F858-N861 PolarHBondContact O-N 3.25Å | ||
| 862 | Q | 53.9 | Low | 57.4 | Low | 197 Ų | 197 | 67.1 Ų | 67.1 | 92% | 0.921 | 33% | 0.332 | S | S | * | . | trans | -88.5 | 140.2 | 172.8 | -66.6 | -179.4 | -8.6 | 0 | 0 | 110.6 | ||||
| 863 | V | 58.4 | Low | 58.5 | Low | 43 Ų | 43 | 66 Ų | 66 | 26% | 0.261 | 33% | 0.331 | S | S | . | . | trans | -101.6 | 139.9 | -178 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | Y772 I775 F858 P865 T868 | Y772-V863 HydrophobicContact CD1-CG1 3.86Å; Y772-V863 HydrophobicContact CE1-CB 4.27Å; Y772-V863 HydrophobicContact CE1-CG1 3.7Å; Y772-V863 HydrophobicContact CE1-CG2 4.2Å; I775-V863 HydrophobicContact CD1-CG2 4.24Å; F858-V863 HydrophobicContact CD2-CG2 4.29Å; F858-V863 HydrophobicContact CE2-CG2 3.9Å; V863-P865 VanDerWaalsContact O-CD 3.3Å; V863-P865 WeakPolarHBondContact O-CD 3.37Å; V863-T868 WeakPolarHBondContact CG1-OG1 3.36Å | ||
| 864 | D | 63.7 | Low | 59.2 | Low | 66 Ų | 66 | 66 Ų | 66 | 35% | 0.353 | 33% | 0.331 | S | S | . | . | trans | -72.6 | 114.3 | 176.7 | -175.4 | -12.5 | 0 | 0 | 0 | 111.5 | K866 T867 T868 | D864-K866 PolarHBondContact O-N 3.11Å; D864-K866 VanDerWaalsContact O-N 3.16Å; D864-K866 WeakPolarHBondContact OD1-CB 3.37Å; D864-K866 PolarHBondContact OD1-N 2.72Å; D864-T867 PolarHBondContact O-N 2.84Å; D864-T868 PolarHBondContact O-N 3.37Å; D864-T868 PolarHBondContact O-OG1 3.32Å; D864-T868 VanDerWaalsContact O-OG1 3.06Å | ||
| 865 | P | 63.4 | Low | 59.7 | Low | 98 Ų | 98 | 65.7 Ų | 65.7 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.6 | -18.8 | -178.7 | 28.2 | -36.8 | 0 | 0 | 0 | 114.2 | V863 N869 | V863-P865 VanDerWaalsContact O-CD 3.3Å; V863-P865 WeakPolarHBondContact O-CD 3.37Å; P865-N869 WeakPolarHBondContact O-CB 3.43Å; P865-N869 PolarHBondContact O-N 3.23Å |
| 866 | K | 64.1 | Low | 60.6 | Low | 158 Ų | 158 | 61.2 Ų | 61.2 | 69% | 0.687 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68 | -51.8 | 174.6 | -68.2 | 177.3 | 179.3 | 172.9 | 0 | 110.7 | D864 T868 N869 V870 | D864-K866 PolarHBondContact O-N 3.11Å; D864-K866 VanDerWaalsContact O-N 3.16Å; D864-K866 WeakPolarHBondContact OD1-CB 3.37Å; D864-K866 PolarHBondContact OD1-N 2.72Å; K866-T868 VanDerWaalsContact C-N 3.28Å; K866-T868 PolarHBondContact O-N 2.86Å; K866-N869 PolarHBondContact O-N 2.97Å; K866-N869 VanDerWaalsContact O-N 3.15Å; K866-V870 PolarHBondContact O-N 2.68Å; K866-V870 VanDerWaalsContact O-N 3.14Å |
| 867 | T | 60 | Low | 61.6 | Low | 21 Ų | 21 | 58.2 Ų | 58.2 | 13% | 0.129 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -38.1 | -178.6 | -40.2 | 0 | 0 | 0 | 0 | 110.4 | Y772 D864 N869 V870 V871 | Y772-T867 HydrophobicContact CD2-CG2 3.49Å; Y772-T867 VanDerWaalsContact CD2-CG2 3.49Å; Y772-T867 HydrophobicContact CE2-CG2 3.9Å; Y772-T867 HydrophobicContact CG-CG2 4.39Å; D864-T867 PolarHBondContact O-N 2.84Å; T867-N869 PolarHBondContact O-N 2.85Å; T867-V870 PolarHBondContact O-N 3.41Å; T867-V871 PolarHBondContact O-N 3.46Å |
| 868 | T | 63.4 | Low | 62.1 | Low | 42 Ų | 42 | 60 Ų | 60 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58 | -46.1 | 172.4 | -46.2 | 0 | 0 | 0 | 0 | 112.5 | I776 V863 D864 K866 V870 V871 S872 | I776-T868 HydrophobicContact CD1-CG2 3.99Å; I776-T868 HydrophobicContact CG1-CG2 4.08Å; V863-T868 WeakPolarHBondContact CG1-OG1 3.36Å; D864-T868 PolarHBondContact O-N 3.37Å; D864-T868 PolarHBondContact O-OG1 3.32Å; D864-T868 VanDerWaalsContact O-OG1 3.06Å; K866-T868 VanDerWaalsContact C-N 3.28Å; K866-T868 PolarHBondContact O-N 2.86Å; T868-V870 PolarHBondContact O-N 3.48Å; T868-V871 PolarHBondContact O-N 3.19Å; T868-S872 WeakPolarHBondContact O-CB 3.47Å; T868-S872 PolarHBondContact O-N 2.92Å |
| 869 | N | 65.5 | Low | 62.8 | Low | 84 Ų | 84 | 57.1 Ų | 57.1 | 45% | 0.449 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | -177.6 | -167.6 | 23.1 | 0 | 0 | 0 | 112.5 | P865 K866 T867 S872 N873 | P865-N869 WeakPolarHBondContact O-CB 3.43Å; P865-N869 PolarHBondContact O-N 3.23Å; K866-N869 PolarHBondContact O-N 2.97Å; K866-N869 VanDerWaalsContact O-N 3.15Å; T867-N869 PolarHBondContact O-N 2.85Å; N869-S872 PolarHBondContact O-N 3.08Å; N869-N873 PolarHBondContact O-N 3.34Å; N869-N873 VanDerWaalsContact O-N 3.12Å; N869-N873 PolarHBondContact O-ND2 3.44Å; N869-N873 PolarHBondContact OD1-ND2 3.42Å |
| 870 | V | 64.6 | Low | 63.3 | Low | 57 Ų | 57 | 54.2 Ų | 54.2 | 35% | 0.345 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.3 | -50.8 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 111 | K866 T867 T868 S872 N873 M874 | K866-V870 PolarHBondContact O-N 2.68Å; K866-V870 VanDerWaalsContact O-N 3.14Å; T867-V870 PolarHBondContact O-N 3.41Å; T868-V870 PolarHBondContact O-N 3.48Å; V870-S872 PolarHBondContact O-N 2.97Å; V870-N873 PolarHBondContact O-N 2.89Å; V870-M874 PolarHBondContact O-N 2.77Å; V870-M874 VanDerWaalsContact O-N 3.12Å |
| 871 | V | 63.8 | Low | 64 | Low | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.024 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -35.8 | -179.5 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | L773 I776 T867 T868 N873 M874 L875 | L773-V871 HydrophobicContact CB-CG1 4.44Å; L773-V871 HydrophobicContact CD1-CG1 4.1Å; L773-V871 HydrophobicContact CG-CG1 4.26Å; I776-V871 HydrophobicContact CD1-CB 3.52Å; I776-V871 HydrophobicContact CD1-CG1 3.55Å; I776-V871 HydrophobicContact CD1-CG2 4.47Å; T867-V871 PolarHBondContact O-N 3.46Å; T868-V871 PolarHBondContact O-N 3.19Å; V871-N873 VanDerWaalsContact C-N 3.35Å; V871-N873 PolarHBondContact O-N 2.91Å; V871-M874 PolarHBondContact O-N 3.47Å; V871-L875 HydrophobicContact CG1-CD1 4.26Å; V871-L875 WeakPolarHBondContact O-CG 3.28Å; V871-L875 PolarHBondContact O-N 2.87Å |
| 872 | S | 64.7 | Low | 64.5 | Low | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.3 | -36.9 | 175.7 | -163.1 | 0 | 0 | 0 | 0 | 113.1 | T868 N869 V870 K876 N941 S942 | T868-S872 WeakPolarHBondContact O-CB 3.47Å; T868-S872 PolarHBondContact O-N 2.92Å; N869-S872 PolarHBondContact O-N 3.08Å; V870-S872 PolarHBondContact O-N 2.97Å; S872-K876 WeakPolarHBondContact O-CB 3.49Å; S872-K876 PolarHBondContact O-N 3.34Å; S872-N941 VanDerWaalsContact OG-CB 3.25Å; S872-N941 WeakPolarHBondContact OG-CB 3.43Å; S872-S942 PolarHBondContact OG-N 3.04Å |
| 873 | N | 68.8 | Low | 64.4 | Low | 56 Ų | 56 | 47.9 Ų | 47.9 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -71.7 | -40.1 | 176.7 | -77.2 | -69.9 | 0 | 0 | 0 | 112.1 | N869 V870 V871 L875 K876 S877 | N869-N873 PolarHBondContact O-N 3.34Å; N869-N873 VanDerWaalsContact O-N 3.12Å; N869-N873 PolarHBondContact O-ND2 3.44Å; N869-N873 PolarHBondContact OD1-ND2 3.42Å; V870-N873 PolarHBondContact O-N 2.89Å; V871-N873 VanDerWaalsContact C-N 3.35Å; V871-N873 PolarHBondContact O-N 2.91Å; N873-L875 VanDerWaalsContact C-N 3.35Å; N873-L875 PolarHBondContact O-N 3.47Å; N873-K876 WeakPolarHBondContact O-CB 3.4Å; N873-K876 PolarHBondContact O-N 2.66Å; N873-S877 PolarHBondContact O-N 3.23Å; N873-S877 PolarHBondContact O-OG 3.21Å |
| 874 | M | 68.4 | Low | 64 | Low | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.089 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.9 | -48.2 | 171.8 | 170.3 | -169.8 | 165.3 | 0 | 0 | 111.7 | L798 L803 V870 V871 Y878 | L798-M874 HydrophobicContact CB-CE 4.13Å; L798-M874 HydrophobicContact CD1-CE 3.48Å; L798-M874 VanDerWaalsContact CD1-CE 3.48Å; L798-M874 HydrophobicContact CG-CE 4.42Å; L803-M874 HydrophobicContact CD2-SD 4.22Å; V870-M874 PolarHBondContact O-N 2.77Å; V870-M874 VanDerWaalsContact O-N 3.12Å; V871-M874 PolarHBondContact O-N 3.47Å; M874-Y878 PolarHBondContact O-N 3.02Å |
| 875 | L | 66.3 | Low | 63 | Low | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 177.8 | -68.5 | 172.9 | 0 | 0 | 0 | 112.3 | I776 I795 V871 N873 S877 Y878 F879 C938 | I776-L875 HydrophobicContact CG2-CD1 3.74Å; I795-L875 HydrophobicContact CG2-CD2 4.06Å; V871-L875 HydrophobicContact CG1-CD1 4.26Å; V871-L875 WeakPolarHBondContact O-CG 3.28Å; V871-L875 PolarHBondContact O-N 2.87Å; N873-L875 VanDerWaalsContact C-N 3.35Å; N873-L875 PolarHBondContact O-N 3.47Å; L875-S877 PolarHBondContact O-N 2.99Å; L875-Y878 PolarHBondContact O-N 2.94Å; L875-F879 VanDerWaalsContact O-CD2 3.24Å; L875-F879 WeakPolarHBondContact O-CD2 3.46Å; L875-F879 PolarHBondContact O-N 3.46Å; L875-C938 HydrophobicContact CB-CB 4.49Å |
| 876 | K | 70.2 | Confident | 62.2 | Low | 31 Ų | 31 | 64.7 Ų | 64.7 | 14% | 0.135 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -51.4 | -55.5 | 174 | 168.7 | -172.2 | 167.9 | -170.1 | 0 | 111.2 | S872 N873 Y878 F879 L880 L939 D944 | S872-K876 WeakPolarHBondContact O-CB 3.49Å; S872-K876 PolarHBondContact O-N 3.34Å; N873-K876 WeakPolarHBondContact O-CB 3.4Å; N873-K876 PolarHBondContact O-N 2.66Å; K876-Y878 VanDerWaalsContact C-N 3.32Å; K876-Y878 PolarHBondContact O-N 3.44Å; K876-F879 PolarHBondContact O-N 2.92Å; K876-L880 HydrophobicContact CD-CD1 4.28Å; K876-L880 HydrophobicContact CG-CD1 3.69Å; K876-L880 HydrophobicContact CG-CG 4.33Å; K876-L880 WeakPolarHBondContact O-CB 3.47Å; K876-L880 PolarHBondContact O-N 2.91Å; K876-L939 HydrophobicContact CD-CD2 4.32Å; K876-L939 HydrophobicContact CG-CD2 4.03Å; K876-D944 WeakPolarHBondContact CE-OD2 3.44Å; K876-D944 IonicContact NZ-OD2 2.7Å; K876-D944 PolarHBondContact NZ-OD2 2.89Å |
| 877 | S | 68.7 | Low | 61.3 | Low | 18 Ų | 18 | 63.3 Ų | 63.3 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -35.3 | -176.1 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | N873 L875 N881 E882 W883 | N873-S877 PolarHBondContact O-N 3.23Å; N873-S877 PolarHBondContact O-OG 3.21Å; L875-S877 PolarHBondContact O-N 2.99Å; S877-N881 WeakPolarHBondContact O-CA 3.08Å; S877-N881 PolarHBondContact O-N 3.44Å; S877-E882 WeakPolarHBondContact CA-OE2 3.49Å; S877-E882 WeakPolarHBondContact CB-OE2 3.4Å; S877-E882 PolarHBondContact O-N 3.05Å; S877-E882 PolarHBondContact OG-OE2 3.26Å; S877-W883 VanDerWaalsContact CB-NE1 3.32Å |
| 878 | Y | 67.3 | Low | 60.8 | Low | 53 Ų | 53 | 64.9 Ų | 64.9 | 21% | 0.208 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 172.6 | 174.4 | -89.8 | 0 | 0 | 0 | 112.1 | L798 M874 L875 K876 N881 K888 | L798-Y878 HydrophobicContact CD1-CD2 4.25Å; L798-Y878 HydrophobicContact CD2-CD2 4.33Å; M874-Y878 PolarHBondContact O-N 3.02Å; L875-Y878 PolarHBondContact O-N 2.94Å; K876-Y878 VanDerWaalsContact C-N 3.32Å; K876-Y878 PolarHBondContact O-N 3.44Å; Y878-N881 PolarHBondContact O-N 2.86Å; Y878-K888 PolarHBondContact O-NZ 3.37Å |
| 879 | F | 67.9 | Low | 60.1 | Low | 10 Ų | 10 | 66.9 Ų | 66.9 | 4% | 0.044 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.6 | -39.5 | -178.9 | -75.9 | -68.3 | 0 | 0 | 0 | 113.4 | L875 K876 N881 R930 Y931 H934 L935 C938 | L875-F879 VanDerWaalsContact O-CD2 3.24Å; L875-F879 WeakPolarHBondContact O-CD2 3.46Å; L875-F879 PolarHBondContact O-N 3.46Å; K876-F879 PolarHBondContact O-N 2.92Å; F879-N881 PolarHBondContact O-N 2.75Å; F879-R930 HydrophobicContact CE1-CG 4.47Å; F879-Y931 WeakPolarHBondContact O-CE2 3.41Å; F879-H934 HydrophobicContact CD2-CB 4.34Å; F879-H934 HydrophobicContact CE1-CB 3.91Å; F879-H934 HydrophobicContact CE2-CB 3.71Å; F879-H934 HydrophobicContact CZ-CB 3.46Å; F879-H934 VanDerWaalsContact CZ-CB 3.46Å; F879-L935 HydrophobicContact CB-CD1 4.07Å; F879-C938 HydrophobicContact CD2-CB 4.43Å; F879-C938 VanDerWaalsContact CD2-SG 3.53Å |
| 880 | L | 64.6 | Low | 59.2 | Low | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.2 | -17.7 | 172.5 | -70.8 | 179.3 | 0 | 0 | 0 | 113.3 | K876 E882 L935 L939 | K876-L880 HydrophobicContact CD-CD1 4.28Å; K876-L880 HydrophobicContact CG-CD1 3.69Å; K876-L880 HydrophobicContact CG-CG 4.33Å; K876-L880 WeakPolarHBondContact O-CB 3.47Å; K876-L880 PolarHBondContact O-N 2.91Å; L880-E882 VanDerWaalsContact C-N 3.32Å; L880-E882 HydrophobicContact CB-CG 3.84Å; L880-E882 HydrophobicContact CD1-CG 4.37Å; L880-E882 WeakPolarHBondContact CD1-OE1 3.33Å; L880-L935 HydrophobicContact CD2-CD1 3.95Å; L880-L935 HydrophobicContact CG-CD1 4.46Å; L880-L939 HydrophobicContact CD1-CD2 4.09Å; L880-L939 HydrophobicContact CD2-CD2 4.43Å; L880-L939 HydrophobicContact CG-CD2 4.41Å |
| 881 | N | 64.5 | Low | 58.2 | Low | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 29.2 | -176.7 | -144.1 | 50.5 | 0 | 0 | 0 | 114.1 | S877 Y878 F879 W883 Y884 K886 K888 | S877-N881 WeakPolarHBondContact O-CA 3.08Å; S877-N881 PolarHBondContact O-N 3.44Å; Y878-N881 PolarHBondContact O-N 2.86Å; F879-N881 PolarHBondContact O-N 2.75Å; N881-W883 PolarHBondContact O-N 2.69Å; N881-Y884 PolarHBondContact O-N 3.27Å; N881-K886 PolarHBondContact ND2-O 3.05Å; N881-K888 HydrophobicContact CB-CB 4.36Å; N881-K888 HydrophobicContact CB-CD 3.87Å; N881-K888 HydrophobicContact CB-CG 3.79Å; N881-K888 WeakPolarHBondContact OD1-CE 3.35Å; N881-K888 PolarHBondContact OD1-NZ 3.21Å |
| 882 | E | 62 | Low | 57.1 | Low | 101 Ų | 101 | 66.7 Ų | 66.7 | 47% | 0.472 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.5 | -176.9 | -68.2 | 172.7 | 158 | 0 | 0 | 113.5 | S877 L880 | S877-E882 WeakPolarHBondContact CA-OE2 3.49Å; S877-E882 WeakPolarHBondContact CB-OE2 3.4Å; S877-E882 PolarHBondContact O-N 3.05Å; S877-E882 PolarHBondContact OG-OE2 3.26Å; L880-E882 VanDerWaalsContact C-N 3.32Å; L880-E882 HydrophobicContact CB-CG 3.84Å; L880-E882 HydrophobicContact CD1-CG 4.37Å; L880-E882 WeakPolarHBondContact CD1-OE1 3.33Å |
| 883 | W | 52.6 | Low | 55.6 | Low | 102 Ų | 102 | 72.3 Ų | 72.3 | 39% | 0.386 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 0.5 | -178.2 | -53.2 | -12.8 | 0 | 0 | 0 | 114 | M802 S877 N881 | M802-W883 HydrophobicContact CB-CH2 3.92Å; M802-W883 HydrophobicContact CB-CZ3 4.38Å; M802-W883 HydrophobicContact CE-CD2 4.14Å; M802-W883 HydrophobicContact CE-CE3 3.72Å; M802-W883 HydrophobicContact CE-CH2 4.33Å; M802-W883 HydrophobicContact CE-CZ3 3.83Å; M802-W883 HydrophobicContact CG-CH2 3.68Å; M802-W883 HydrophobicContact CG-CZ2 4.49Å; M802-W883 HydrophobicContact CG-CZ3 3.69Å; M802-W883 HydrophobicContact SD-CD2 4.29Å; M802-W883 HydrophobicContact SD-CE3 4.02Å; M802-W883 HydrophobicContact SD-CH2 3.54Å; M802-W883 VanDerWaalsContact SD-CH2 3.54Å; M802-W883 HydrophobicContact SD-CZ2 3.81Å; M802-W883 HydrophobicContact SD-CZ3 3.64Å; S877-W883 VanDerWaalsContact CB-NE1 3.32Å; N881-W883 PolarHBondContact O-N 2.69Å |
| 884 | Y | 49.5 | Very low | 53.9 | Low | 175 Ų | 175 | 77.3 Ų | 77.3 | 69% | 0.686 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -134.5 | 137.3 | 170 | -66.5 | -81.9 | 0 | 0 | 0 | 109.6 | N881 K886 | N881-Y884 PolarHBondContact O-N 3.27Å; Y884-K886 PolarHBondContact O-N 3.39Å |
| 885 | E | 43.2 | Very low | 51.9 | Low | 211 Ų | 211 | 82.8 Ų | 82.8 | 99% | 0.986 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -67.1 | 17.9 | -178.1 | -58.8 | -173.7 | 133.3 | 0 | 0 | 115.4 | ||
| 886 | K | 45.3 | Very low | 50.1 | Low | 173 Ų | 173 | 90.6 Ų | 90.6 | 75% | 0.752 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -124.3 | 118.5 | 174.5 | -69.2 | -176.3 | 178.6 | 179.3 | 0 | 109.8 | N881 Y884 | N881-K886 PolarHBondContact ND2-O 3.05Å; Y884-K886 PolarHBondContact O-N 3.39Å |
| 887 | I | 46 | Very low | 48.1 | Very low | 130 Ų | 130 | 97.6 Ų | 97.6 | 67% | 0.667 | 47% | 0.471 | S | S | * | . | trans | -56.5 | 137.8 | 170.8 | -59.1 | 171.1 | 0 | 0 | 0 | 108.9 | D889 | I887-D889 PolarHBondContact O-N 3.5Š| ||
| 888 | K | 49.7 | Very low | 46 | Very low | 54 Ų | 54 | 100.4 Ų | 100.4 | 24% | 0.235 | 48% | 0.483 | C | S | . | . | trans | -68.8 | 99.9 | 168 | -86.7 | 169.7 | -179.7 | 162.1 | 0 | 108.8 | Y878 N881 Y931 | Y878-K888 PolarHBondContact O-NZ 3.37Å; N881-K888 HydrophobicContact CB-CB 4.36Å; N881-K888 HydrophobicContact CB-CD 3.87Å; N881-K888 HydrophobicContact CB-CG 3.79Å; N881-K888 WeakPolarHBondContact OD1-CE 3.35Å; N881-K888 PolarHBondContact OD1-NZ 3.21Å; K888-Y931 HydrophobicContact CB-CE2 4.44Å | ||
| 889 | D | 49.5 | Very low | 44.1 | Very low | 83 Ų | 83 | 102 Ų | 102 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | trans | -58.6 | 126.1 | 171.8 | -168.4 | -26.5 | 0 | 0 | 0 | 109.4 | I887 F891 | I887-D889 PolarHBondContact O-N 3.5Å; D889-F891 WeakPolarHBondContact CB-O 3.35Å; D889-F891 PolarHBondContact O-N 2.76Å; D889-F891 WeakPolarHBondContact OD1-CB 3.25Å; D889-F891 WeakPolarHBondContact OD1-CD2 3.39Å; D889-F891 PolarHBondContact OD1-N 2.66Å | ||
| 890 | P | 45.3 | Very low | 42 | Very low | 22 Ų | 22 | 110.8 Ų | 110.8 | 14% | 0.143 | 54% | 0.541 | C | S | . | . | S | Bend | trans | -61.3 | -21.8 | 175.7 | 25.4 | -34.5 | 0 | 0 | 0 | 112.5 | Y931 | P890-Y931 HydrophobicContact CB-CE1 4.2Š|
| 891 | F | 44.7 | Very low | 40.2 | Very low | 39 Ų | 39 | 118.8 Ų | 118.8 | 17% | 0.171 | 58% | 0.577 | C | S | . | * | B | Isolated β-bridge | trans | -97.1 | 124.7 | 171.9 | -49.1 | -71.3 | 0 | 0 | 0 | 109.7 | D889 L893 L925 Y927 E957 | D889-F891 WeakPolarHBondContact CB-O 3.35Å; D889-F891 PolarHBondContact O-N 2.76Å; D889-F891 WeakPolarHBondContact OD1-CB 3.25Å; D889-F891 WeakPolarHBondContact OD1-CD2 3.39Å; D889-F891 PolarHBondContact OD1-N 2.66Å; F891-L893 HydrophobicContact CB-CD1 4.16Å; F891-L893 HydrophobicContact CB-CG 4.37Å; F891-L893 PolarHBondContact O-N 3.47Å; F891-L925 HydrophobicContact CD1-CD2 3.45Å; F891-L925 VanDerWaalsContact CD1-CD2 3.45Å; F891-L925 HydrophobicContact CE1-CD2 3.73Å; F891-Y927 HydrophobicContact CD1-CE1 4.21Å; F891-Y927 HydrophobicContact CE1-CD1 4.48Å; F891-Y927 AromaticContact CE1-CE1 3.78Å; F891-Y927 HydrophobicContact CE1-CE1 3.78Å; F891-E957 HydrophobicContact CE2-CB 4.06Å; F891-E957 HydrophobicContact CE2-CG 4.2Å; F891-E957 HydrophobicContact CZ-CB 4.11Å; F891-E957 HydrophobicContact CZ-CG 4.43Å |
| 892 | S | 39.7 | Very low | 38.4 | Very low | 80 Ų | 80 | 121 Ų | 121 | 56% | 0.559 | 60% | 0.596 | S | S | * | * | trans | -77 | 48.1 | 179.9 | 82.4 | 0 | 0 | 0 | 0 | 113.7 | K894 | S892-K894 VanDerWaalsContact C-N 3.3Å; S892-K894 PolarHBondContact O-N 2.79Å | ||
| 893 | L | 32.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 120.3 Ų | 120.3 | 63% | 0.628 | 60% | 0.598 | S | S | * | * | trans | -75.1 | 75.4 | 179.3 | -81.3 | 165 | 0 | 0 | 0 | 111.3 | F891 P895 | F891-L893 HydrophobicContact CB-CD1 4.16Å; F891-L893 HydrophobicContact CB-CG 4.37Å; F891-L893 PolarHBondContact O-N 3.47Å; L893-P895 WeakPolarHBondContact O-CD 3.46Å | ||
| 894 | K | 33 | Very low | 35.6 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 70% | 0.7 | 62% | 0.616 | S | S | * | * | trans | -58.2 | 122.3 | 162.5 | -74.6 | -170.4 | 178.5 | -179.8 | 0 | 108.3 | S892 Y896 | S892-K894 VanDerWaalsContact C-N 3.3Å; S892-K894 PolarHBondContact O-N 2.79Å; K894-Y896 VanDerWaalsContact C-N 3.3Å; K894-Y896 HydrophobicContact CB-CD2 3.84Å; K894-Y896 HydrophobicContact CB-CE2 3.98Å; K894-Y896 HydrophobicContact CD-CE2 4.15Å; K894-Y896 PolarHBondContact O-N 3.27Å | ||
| 895 | P | 27.3 | Very low | 34.6 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 86% | 0.864 | 62% | 0.62 | S | S | * | * | trans | -76.8 | 80.2 | -172.7 | 31 | -36 | 0 | 0 | 0 | 111.2 | L893 | L893-P895 WeakPolarHBondContact O-CD 3.46Š| ||
| 896 | Y | 28.1 | Very low | 33.8 | Very low | 170 Ų | 170 | 123 Ų | 123 | 67% | 0.667 | 62% | 0.617 | S | S | * | * | trans | -96.8 | 112 | 173.2 | -85.1 | -77.2 | 0 | 0 | 0 | 110.4 | K894 I898 | K894-Y896 VanDerWaalsContact C-N 3.3Å; K894-Y896 HydrophobicContact CB-CD2 3.84Å; K894-Y896 HydrophobicContact CB-CE2 3.98Å; K894-Y896 HydrophobicContact CD-CE2 4.15Å; K894-Y896 PolarHBondContact O-N 3.27Å; Y896-I898 HydrophobicContact CD1-CD1 3.95Å; Y896-I898 HydrophobicContact CG-CD1 4.13Å; Y896-I898 PolarHBondContact O-N 3.22Å | ||
| 897 | N | 27.8 | Very low | 32.9 | Very low | 177 Ų | 177 | 121 Ų | 121 | 95% | 0.947 | 62% | 0.619 | S | S | * | * | trans | -67.2 | 75.1 | 168.2 | -81.9 | -17.5 | 0 | 0 | 0 | 110.1 | ||||
| 898 | I | 26.3 | Very low | 31.8 | Very low | 77 Ų | 77 | 120.7 Ų | 120.7 | 40% | 0.395 | 63% | 0.625 | S | S | . | * | trans | -124.6 | 117.4 | -178.5 | -67.8 | 178.8 | 0 | 0 | 0 | 107.9 | Y896 V903 | Y896-I898 HydrophobicContact CD1-CD1 3.95Å; Y896-I898 HydrophobicContact CG-CD1 4.13Å; Y896-I898 PolarHBondContact O-N 3.22Å; I898-V903 HydrophobicContact CD1-CG2 3.67Å; I898-V903 HydrophobicContact CG2-CG2 4.22Å | ||
| 899 | S | 25.7 | Very low | 30.6 | Very low | 86 Ų | 86 | 124.6 Ų | 124.6 | 60% | 0.601 | 66% | 0.658 | S | S | * | * | trans | -61.5 | 158.6 | 169.8 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | H901 | S899-H901 PolarHBondContact O-N 3.36Š| ||
| 900 | F | 25.7 | Very low | 29.3 | Very low | 195 Ų | 195 | 124.2 Ų | 124.2 | 86% | 0.855 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 24.5 | -171.4 | -113.4 | -97.1 | 0 | 0 | 0 | 115.7 | ||
| 901 | H | 26.7 | Very low | 28.4 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | -9.2 | -170.4 | -84.8 | 13.1 | 0 | 0 | 0 | 116.2 | S899 | S899-H901 PolarHBondContact O-N 3.36Š|
| 902 | S | 25.8 | Very low | 27.4 | Very low | 75 Ų | 75 | 132 Ų | 132 | 52% | 0.524 | 72% | 0.724 | S | S | . | * | trans | -138.4 | 55.4 | -165.4 | 61.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 903 | V | 28.9 | Very low | 27 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 52% | 0.515 | 74% | 0.735 | S | S | . | * | trans | -139.5 | 100.1 | 144.3 | -172.2 | 0 | 0 | 0 | 0 | 109.5 | I898 | I898-V903 HydrophobicContact CD1-CG2 3.67Å; I898-V903 HydrophobicContact CG2-CG2 4.22Å | ||
| 904 | Y | 27.4 | Very low | 27 | Very low | 195 Ų | 195 | 135.4 Ų | 135.4 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | trans | -124.1 | 150.2 | 164.9 | -102.9 | -91.9 | 0 | 0 | 0 | 107.4 | ||||
| 905 | Y | 28.8 | Very low | 26.8 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | trans | 63 | 100.7 | 177.5 | -57.8 | -77.4 | 0 | 0 | 0 | 117.8 | ||||
| 906 | T | 25.8 | Very low | 26.8 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 91% | 0.914 | 75% | 0.746 | S | S | * | * | -171 | 82.4 | 123.3 | 16.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 907 | V | 25.6 | Very low | 26.7 | Very low | 131 Ų | 131 | 134 Ų | 134 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -101.4 | 142.2 | 154.5 | 175.9 | 0 | 0 | 0 | 0 | 106 | C909 | V907-C909 PolarHBondContact O-N 3.39Š|
| 908 | P | 24.1 | Very low | 26.7 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 136.1 | -176.8 | -28.2 | 36.5 | 0 | 0 | 0 | 113.4 | G910 | P908-G910 PolarHBondContact O-N 3.04Š|
| 909 | C | 23.5 | Very low | 26.7 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 92% | 0.919 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 119.6 | -175.9 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | V907 | V907-C909 PolarHBondContact O-N 3.39Š|
| 910 | G | 23.5 | Very low | 26.7 | Very low | 75 Ų | 75 | 136.4 Ų | 136.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -99.7 | -8.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P908 | P908-G910 PolarHBondContact O-N 3.04Š| ||
| 911 | S | 24.6 | Very low | 27.1 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | trans | 63.1 | 130.4 | 177.8 | 139.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 912 | N | 25.4 | Very low | 27.2 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | cis | -162.1 | 163.7 | 6 | -100.4 | -26.1 | 0 | 0 | 0 | 111.4 | ||||
| 913 | N | 30 | Very low | 27.5 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | trans | 69 | 99.5 | 159.4 | -61 | -15.7 | 0 | 0 | 0 | 120.3 | ||||
| 914 | P | 34.1 | Very low | 28 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -97.9 | 167.2 | 165.4 | 38.8 | -34.1 | 0 | 0 | 0 | 113.4 | ||||
| 915 | K | 28.1 | Very low | 28.6 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | trans | -163.9 | 140.7 | 151.9 | -112.5 | 171.7 | -173.1 | -174.3 | 0 | 113.6 | ||||
| 916 | E | 27.9 | Very low | 29.5 | Very low | 180 Ų | 180 | 127.4 Ų | 127.4 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | trans | 67.5 | 133.1 | 161.3 | -65.4 | 156.9 | -134.5 | 0 | 0 | 118.1 | ||||
| 917 | G | 25.9 | Very low | 30.7 | Very low | 71 Ų | 71 | 121.5 Ų | 121.5 | 73% | 0.732 | 69% | 0.688 | S | S | * | * | trans | -179.7 | -70.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 918 | Y | 27.3 | Very low | 32.3 | Very low | 225 Ų | 225 | 118.4 Ų | 118.4 | 88% | 0.882 | 67% | 0.667 | S | S | * | * | trans | 80.5 | 121.8 | -177.9 | -72.9 | -87.1 | 0 | 0 | 0 | 122.2 | ||||
| 919 | S | 25.7 | Very low | 34.1 | Very low | 97 Ų | 97 | 115.2 Ų | 115.2 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | trans | 62.8 | 123.2 | 146 | 59.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 920 | C | 26.4 | Very low | 35.8 | Very low | 70 Ų | 70 | 110.8 Ų | 110.8 | 47% | 0.473 | 61% | 0.609 | S | S | . | * | cis | -171.7 | 150.1 | 48.4 | -123.6 | 0 | 0 | 0 | 0 | 113.6 | R437 | R437-C920 VanDerWaalsContact NH1-CB 3.35Š| ||
| 921 | D | 34.1 | Very low | 37.9 | Very low | 107 Ų | 107 | 108.1 Ų | 108.1 | 57% | 0.572 | 58% | 0.576 | S | S | * | * | trans | 43 | 88.7 | 153.1 | -57.8 | -54.3 | 0 | 0 | 0 | 122.3 | ||||
| 922 | L | 29.6 | Very low | 40 | Very low | 162 Ų | 162 | 103.7 Ų | 103.7 | 85% | 0.848 | 55% | 0.545 | S | S | * | . | trans | -102.7 | 89 | 153.3 | -81 | 162.7 | 0 | 0 | 0 | 110.4 | ||||
| 923 | R | 32.1 | Very low | 41.8 | Very low | 175 Ų | 175 | 103.4 Ų | 103.4 | 66% | 0.66 | 53% | 0.534 | S | S | * | . | trans | 168.1 | 145.2 | 170.6 | -102.9 | 165.8 | -80.5 | -163.2 | -4.6 | 107 | ||||
| 924 | V | 38.3 | Very low | 43.6 | Very low | 98 Ų | 98 | 98 Ų | 98 | 59% | 0.594 | 50% | 0.504 | S | S | * | . | S | Bend | cis | -138.1 | 128.7 | 5.9 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 925 | L | 40.8 | Very low | 45.5 | Very low | 69 Ų | 69 | 92.3 Ų | 92.3 | 36% | 0.361 | 47% | 0.467 | S | S | . | . | trans | 171.4 | 73.1 | 148.8 | -96.9 | 166.6 | 0 | 0 | 0 | 109.4 | F891 Y927 | F891-L925 HydrophobicContact CD1-CD2 3.45Å; F891-L925 VanDerWaalsContact CD1-CD2 3.45Å; F891-L925 HydrophobicContact CE1-CD2 3.73Å; L925-Y927 VanDerWaalsContact C-N 3.28Å; L925-Y927 HydrophobicContact CB-CD2 4.3Å; L925-Y927 HydrophobicContact CB-CE2 3.89Å; L925-Y927 HydrophobicContact CD1-CE2 4.21Å; L925-Y927 HydrophobicContact CD2-CE1 4.01Å; L925-Y927 HydrophobicContact CD2-CE2 4.2Å; L925-Y927 HydrophobicContact CG-CE2 4.32Å; L925-Y927 WeakPolarHBondContact O-CD2 3.29Å; L925-Y927 PolarHBondContact O-N 3.42Å | ||
| 926 | N | 46.2 | Very low | 47.6 | Very low | 127 Ų | 127 | 83.7 Ų | 83.7 | 68% | 0.679 | 43% | 0.43 | S | S | * | . | trans | -76.6 | 84.3 | 171.3 | -77.4 | 26.3 | 0 | 0 | 0 | 109 | ||||
| 927 | Y | 52.4 | Low | 49.5 | Very low | 25 Ų | 25 | 77.1 Ų | 77.1 | 10% | 0.098 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -61.7 | 135.5 | 169.8 | -68 | -74 | 0 | 0 | 0 | 110.4 | F891 L925 V929 L932 Y960 Y964 | F891-Y927 HydrophobicContact CD1-CE1 4.21Å; F891-Y927 HydrophobicContact CE1-CD1 4.48Å; F891-Y927 AromaticContact CE1-CE1 3.78Å; F891-Y927 HydrophobicContact CE1-CE1 3.78Å; L925-Y927 VanDerWaalsContact C-N 3.28Å; L925-Y927 HydrophobicContact CB-CD2 4.3Å; L925-Y927 HydrophobicContact CB-CE2 3.89Å; L925-Y927 HydrophobicContact CD1-CE2 4.21Å; L925-Y927 HydrophobicContact CD2-CE1 4.01Å; L925-Y927 HydrophobicContact CD2-CE2 4.2Å; L925-Y927 HydrophobicContact CG-CE2 4.32Å; L925-Y927 WeakPolarHBondContact O-CD2 3.29Å; L925-Y927 PolarHBondContact O-N 3.42Å; Y927-V929 VanDerWaalsContact C-N 3.29Å; Y927-V929 PolarHBondContact O-N 2.71Å; Y927-L932 HydrophobicContact CD1-CD1 4.25Å; Y927-L932 HydrophobicContact CG-CD1 4.43Å; Y927-Y960 VanDerWaalsContact OH-CE1 3.28Å; Y927-Y960 WeakPolarHBondContact OH-CE1 3.41Å; Y927-Y964 HydrophobicContact CD2-CD1 4.42Å; Y927-Y964 AromaticContact CE2-CD1 3.52Å; Y927-Y964 HydrophobicContact CE2-CD1 3.52Å; Y927-Y964 HydrophobicContact CE2-CE1 4.2Å; Y927-Y964 HydrophobicContact CE2-CG 4.09Å |
| 928 | N | 59.5 | Low | 51.5 | Low | 67 Ų | 67 | 73.9 Ų | 73.9 | 36% | 0.358 | 37% | 0.365 | S | S | . | . | trans | -76 | 83 | 171.5 | -173.4 | -16.2 | 0 | 0 | 0 | 109.7 | R930 Y931 L932 | N928-R930 PolarHBondContact O-N 3.3Å; N928-Y931 VanDerWaalsContact CG-CB 3.44Å; N928-Y931 WeakPolarHBondContact O-CA 3.36Å; N928-Y931 WeakPolarHBondContact O-CB 3.36Å; N928-Y931 PolarHBondContact O-N 3.35Å; N928-Y931 PolarHBondContact OD1-N 2.84Å; N928-Y931 VanDerWaalsContact OD1-N 3.07Å; N928-L932 PolarHBondContact O-N 3.35Å | ||
| 929 | V | 60.6 | Low | 53.6 | Low | 56 Ų | 56 | 63.2 Ų | 63.2 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.3 | -36 | -176.5 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | Y927 L932 R933 I966 | Y927-V929 VanDerWaalsContact C-N 3.29Å; Y927-V929 PolarHBondContact O-N 2.71Å; V929-L932 PolarHBondContact O-N 3.15Å; V929-R933 HydrophobicContact CG1-CG 4.24Å; V929-R933 WeakPolarHBondContact O-CB 3.38Å; V929-R933 WeakPolarHBondContact O-CG 3.41Å; V929-R933 PolarHBondContact O-N 2.94Å; V929-I966 HydrophobicContact CG1-CD1 4.36Å |
| 930 | R | 59.6 | Low | 55.8 | Low | 44 Ų | 44 | 58.8 Ų | 58.8 | 17% | 0.166 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 175.7 | -166.8 | 177.2 | 175.9 | -158.4 | 6.7 | 111.8 | E791 E794 F879 N928 R933 H934 | E791-R930 PolarHBondContact O-NH2 3.33Å; E791-R930 WeakPolarHBondContact OE1-CD 3.48Å; E791-R930 IonicContact OE1-NE 3.61Å; E794-R930 IonicContact OE2-CZ 2.69Å; E794-R930 IonicContact OE2-NH1 3.96Å; E794-R930 PolarHBondContact OE2-NH1 2.77Å; E794-R930 IonicContact OE2-NH2 3.31Å; F879-R930 HydrophobicContact CE1-CG 4.47Å; N928-R930 PolarHBondContact O-N 3.3Å; R930-R933 PolarHBondContact O-N 2.94Å; R930-H934 PolarHBondContact O-CD2 2.9Å; R930-H934 PolarHBondContact O-N 3.49Å |
| 931 | Y | 68 | Low | 57.7 | Low | 18 Ų | 18 | 58.6 Ų | 58.6 | 7% | 0.071 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 171.9 | 176.9 | -102.7 | 0 | 0 | 0 | 111.9 | F879 K888 P890 N928 R933 L935 | F879-Y931 WeakPolarHBondContact O-CE2 3.41Å; K888-Y931 HydrophobicContact CB-CE2 4.44Å; P890-Y931 HydrophobicContact CB-CE1 4.2Å; N928-Y931 VanDerWaalsContact CG-CB 3.44Å; N928-Y931 WeakPolarHBondContact O-CA 3.36Å; N928-Y931 WeakPolarHBondContact O-CB 3.36Å; N928-Y931 PolarHBondContact O-N 3.35Å; N928-Y931 PolarHBondContact OD1-N 2.84Å; N928-Y931 VanDerWaalsContact OD1-N 3.07Å; Y931-R933 VanDerWaalsContact C-N 3.32Å; Y931-R933 PolarHBondContact O-N 3.18Å; Y931-L935 HydrophobicContact CD2-CB 4.44Å; Y931-L935 HydrophobicContact CE1-CD2 4.08Å; Y931-L935 HydrophobicContact CE2-CB 4.48Å; Y931-L935 HydrophobicContact CE2-CD1 4.02Å; Y931-L935 HydrophobicContact CE2-CD2 3.92Å; Y931-L935 HydrophobicContact CE2-CG 4.36Å; Y931-L935 WeakPolarHBondContact O-CB 3.39Å; Y931-L935 PolarHBondContact O-N 3.12Å |
| 932 | L | 67.5 | Low | 59.4 | Low | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -25.9 | 179 | -63.4 | 176.5 | 0 | 0 | 0 | 113.8 | Y927 N928 V929 W958 K962 S965 I966 | Y927-L932 HydrophobicContact CD1-CD1 4.25Å; Y927-L932 HydrophobicContact CG-CD1 4.43Å; N928-L932 PolarHBondContact O-N 3.35Å; V929-L932 PolarHBondContact O-N 3.15Å; L932-W958 HydrophobicContact CD2-CG 4.32Å; L932-K962 WeakPolarHBondContact O-CE 3.45Å; L932-K962 PolarHBondContact O-NZ 3.05Å; L932-S965 VanDerWaalsContact CD1-OG 3.25Å; L932-S965 WeakPolarHBondContact CD1-OG 3.44Å; L932-I966 HydrophobicContact CB-CD1 4.1Å |
| 933 | R | 64.8 | Low | 61.4 | Low | 126 Ų | 126 | 53.3 Ų | 53.3 | 48% | 0.475 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -78.6 | -55.1 | 172 | -75.5 | -178.8 | 178.9 | -172.2 | -0.5 | 112.5 | V929 R930 Y931 I966 | V929-R933 HydrophobicContact CG1-CG 4.24Å; V929-R933 WeakPolarHBondContact O-CB 3.38Å; V929-R933 WeakPolarHBondContact O-CG 3.41Å; V929-R933 PolarHBondContact O-N 2.94Å; R930-R933 PolarHBondContact O-N 2.94Å; Y931-R933 VanDerWaalsContact C-N 3.32Å; Y931-R933 PolarHBondContact O-N 3.18Å; R933-I966 HydrophobicContact CG-CD1 3.8Å |
| 934 | H | 67.2 | Low | 63.3 | Low | 36 Ų | 36 | 47.8 Ų | 47.8 | 17% | 0.167 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -91.7 | -17.2 | -167 | -62.2 | -77.4 | 0 | 0 | 0 | 115.1 | F879 R930 F937 C938 | F879-H934 HydrophobicContact CD2-CB 4.34Å; F879-H934 HydrophobicContact CE1-CB 3.91Å; F879-H934 HydrophobicContact CE2-CB 3.71Å; F879-H934 HydrophobicContact CZ-CB 3.46Å; F879-H934 VanDerWaalsContact CZ-CB 3.46Å; R930-H934 PolarHBondContact O-CD2 2.9Å; R930-H934 PolarHBondContact O-N 3.49Å; H934-F937 PolarHBondContact O-N 3.33Å; H934-C938 PolarHBondContact O-N 3.29Å; H934-C938 PolarHBondContact O-SG 2.82Å |
| 935 | L | 72.8 | Confident | 65.1 | Low | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -46.5 | -179.3 | -178.5 | 73 | 0 | 0 | 0 | 112.5 | F879 L880 Y931 F937 C938 L939 T952 | F879-L935 HydrophobicContact CB-CD1 4.07Å; L880-L935 HydrophobicContact CD2-CD1 3.95Å; L880-L935 HydrophobicContact CG-CD1 4.46Å; Y931-L935 HydrophobicContact CD2-CB 4.44Å; Y931-L935 HydrophobicContact CE1-CD2 4.08Å; Y931-L935 HydrophobicContact CE2-CB 4.48Å; Y931-L935 HydrophobicContact CE2-CD1 4.02Å; Y931-L935 HydrophobicContact CE2-CD2 3.92Å; Y931-L935 HydrophobicContact CE2-CG 4.36Å; Y931-L935 WeakPolarHBondContact O-CB 3.39Å; Y931-L935 PolarHBondContact O-N 3.12Å; L935-F937 VanDerWaalsContact C-N 3.32Å; L935-F937 PolarHBondContact O-N 3.09Å; L935-C938 PolarHBondContact O-N 2.62Å; L935-L939 HydrophobicContact CD1-CD1 3.93Å; L935-L939 HydrophobicContact CD1-CG 4.31Å; L935-L939 HydrophobicContact CD2-CD1 4.47Å; L935-L939 HydrophobicContact CG-CD1 3.89Å; L935-L939 WeakPolarHBondContact O-CG 3.36Å; L935-L939 PolarHBondContact O-N 2.82Å; L935-L939 VanDerWaalsContact O-N 3.16Å; L935-T952 HydrophobicContact CD2-CG2 4.1Å |
| 936 | S | 72.1 | Confident | 66.7 | Low | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -49.9 | 179.1 | 55.9 | 0 | 0 | 0 | 0 | 110.1 | C938 L939 L940 D974 | S936-C938 PolarHBondContact O-N 2.94Å; S936-L939 PolarHBondContact O-N 2.96Å; S936-L940 VanDerWaalsContact O-CB 3.32Å; S936-L940 WeakPolarHBondContact O-CB 3.36Å; S936-L940 WeakPolarHBondContact O-CD1 3.47Å; S936-L940 WeakPolarHBondContact O-CG 3.42Å; S936-L940 PolarHBondContact O-N 3.41Å; S936-D974 VanDerWaalsContact CB-CG 3.45Å; S936-D974 WeakPolarHBondContact CB-OD1 3.28Å; S936-D974 WeakPolarHBondContact CB-OD2 3.31Å; S936-D974 VanDerWaalsContact OG-CG 3.28Å; S936-D974 PolarHBondContact OG-OD1 2.97Å; S936-D974 PolarHBondContact OG-OD2 2.92Å |
| 937 | F | 68 | Low | 67.9 | Low | 43 Ų | 43 | 43.6 Ų | 43.6 | 19% | 0.189 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.8 | -46.7 | 177.5 | -170.8 | -91.8 | 0 | 0 | 0 | 113.8 | I776 N779 H934 L935 N941 | I776-F937 HydrophobicContact CG2-CE1 4.07Å; I776-F937 WeakPolarHBondContact O-CE1 3.34Å; I776-F937 WeakPolarHBondContact O-CZ 3.35Å; N779-F937 HydrophobicContact CB-CE2 4.34Å; H934-F937 PolarHBondContact O-N 3.33Å; L935-F937 VanDerWaalsContact C-N 3.32Å; L935-F937 PolarHBondContact O-N 3.09Å; F937-N941 WeakPolarHBondContact CE1-ND2 3.07Å; F937-N941 WeakPolarHBondContact CZ-ND2 3.48Å; F937-N941 PolarHBondContact O-N 2.82Å; F937-N941 VanDerWaalsContact O-N 3.12Å |
| 938 | C | 68.4 | Low | 69.3 | Low | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.02 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70 | -37.5 | -178.2 | -62.9 | 0 | 0 | 0 | 0 | 113.1 | L875 F879 H934 L935 S936 S942 | L875-C938 HydrophobicContact CB-CB 4.49Å; F879-C938 HydrophobicContact CD2-CB 4.43Å; F879-C938 VanDerWaalsContact CD2-SG 3.53Å; H934-C938 PolarHBondContact O-N 3.29Å; H934-C938 PolarHBondContact O-SG 2.82Å; L935-C938 PolarHBondContact O-N 2.62Å; S936-C938 PolarHBondContact O-N 2.94Å; C938-S942 WeakPolarHBondContact O-CB 3.45Å; C938-S942 PolarHBondContact O-N 3.03Å; C938-S942 VanDerWaalsContact O-N 3.1Å; C938-S942 PolarHBondContact O-OG 2.82Å |
| 939 | L | 72.1 | Confident | 70.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75 | -34 | 178.8 | -65.5 | 172.8 | 0 | 0 | 0 | 112.6 | K876 L880 L935 S936 S942 K943 D944 E947 F948 | K876-L939 HydrophobicContact CD-CD2 4.32Å; K876-L939 HydrophobicContact CG-CD2 4.03Å; L880-L939 HydrophobicContact CD1-CD2 4.09Å; L880-L939 HydrophobicContact CD2-CD2 4.43Å; L880-L939 HydrophobicContact CG-CD2 4.41Å; L935-L939 HydrophobicContact CD1-CD1 3.93Å; L935-L939 HydrophobicContact CD1-CG 4.31Å; L935-L939 HydrophobicContact CD2-CD1 4.47Å; L935-L939 HydrophobicContact CG-CD1 3.89Å; L935-L939 WeakPolarHBondContact O-CG 3.36Å; L935-L939 PolarHBondContact O-N 2.82Å; L935-L939 VanDerWaalsContact O-N 3.16Å; S936-L939 PolarHBondContact O-N 2.96Å; L939-S942 PolarHBondContact O-OG 2.81Å; L939-K943 PolarHBondContact O-N 2.91Å; L939-D944 PolarHBondContact O-N 3.46Å; L939-E947 HydrophobicContact CD2-CG 4.46Å; L939-F948 HydrophobicContact CB-CB 3.93Å; L939-F948 HydrophobicContact CB-CD2 4.22Å; L939-F948 HydrophobicContact CB-CG 4.49Å; L939-F948 HydrophobicContact CD1-CB 4.4Å; L939-F948 HydrophobicContact CD1-CD2 4.46Å |
| 940 | L | 72.2 | Confident | 71 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -47 | 174 | -74.2 | 168.3 | 0 | 0 | 0 | 110.7 | S936 K943 F948 I977 L978 M981 | S936-L940 VanDerWaalsContact O-CB 3.32Å; S936-L940 WeakPolarHBondContact O-CB 3.36Å; S936-L940 WeakPolarHBondContact O-CD1 3.47Å; S936-L940 WeakPolarHBondContact O-CG 3.42Å; S936-L940 PolarHBondContact O-N 3.41Å; L940-K943 PolarHBondContact O-N 3.03Å; L940-F948 HydrophobicContact CD1-CE2 4.3Å; L940-F948 HydrophobicContact CD1-CZ 4.16Å; L940-F948 HydrophobicContact CD2-CD1 3.85Å; L940-F948 HydrophobicContact CD2-CE1 3.79Å; L940-F948 HydrophobicContact CD2-CG 4.25Å; L940-F948 HydrophobicContact CD2-CZ 4.16Å; L940-F948 HydrophobicContact CG-CD1 4.43Å; L940-F948 HydrophobicContact CG-CD2 4.29Å; L940-F948 HydrophobicContact CG-CE1 4.33Å; L940-F948 HydrophobicContact CG-CE2 4.23Å; L940-F948 HydrophobicContact CG-CG 4.4Å; L940-F948 HydrophobicContact CG-CZ 4.24Å; L940-I977 HydrophobicContact CD1-CB 4.5Å; L940-I977 HydrophobicContact CD1-CG2 4.01Å; L940-L978 HydrophobicContact CD2-CB 4.13Å; L940-L978 HydrophobicContact CD2-CD1 4.18Å; L940-M981 HydrophobicContact CB-CE 3.64Å; L940-M981 HydrophobicContact CD2-CE 3.49Å; L940-M981 VanDerWaalsContact CD2-CE 3.49Å; L940-M981 HydrophobicContact CG-CE 4.12Å |
| 941 | N | 66.1 | Low | 71.6 | Confident | 66 Ų | 66 | 43.3 Ų | 43.3 | 35% | 0.353 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -71.3 | -30.4 | 179.3 | -75.1 | -10.1 | 0 | 0 | 0 | 114 | S872 F937 K943 | S872-N941 VanDerWaalsContact OG-CB 3.25Å; S872-N941 WeakPolarHBondContact OG-CB 3.43Å; F937-N941 WeakPolarHBondContact CE1-ND2 3.07Å; F937-N941 WeakPolarHBondContact CZ-ND2 3.48Å; F937-N941 PolarHBondContact O-N 2.82Å; F937-N941 VanDerWaalsContact O-N 3.12Å; N941-K943 PolarHBondContact O-N 2.89Å |
| 942 | S | 68.5 | Low | 72 | Confident | 12 Ų | 12 | 42.4 Ų | 42.4 | 8% | 0.084 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -3.5 | 173 | 77.6 | 0 | 0 | 0 | 0 | 113.6 | S872 C938 L939 D944 | S872-S942 PolarHBondContact OG-N 3.04Å; C938-S942 WeakPolarHBondContact O-CB 3.45Å; C938-S942 PolarHBondContact O-N 3.03Å; C938-S942 VanDerWaalsContact O-N 3.1Å; C938-S942 PolarHBondContact O-OG 2.82Å; L939-S942 PolarHBondContact O-OG 2.81Å; S942-D944 VanDerWaalsContact C-N 3.26Å; S942-D944 PolarHBondContact O-N 3.07Å; S942-D944 PolarHBondContact OG-OD2 3.04Å |
| 943 | K | 71.4 | Confident | 72.5 | Confident | 145 Ų | 145 | 42.4 Ų | 42.4 | 63% | 0.63 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 21.1 | -178.6 | -50.4 | -171.2 | 179.3 | -173.3 | 0 | 115 | L939 L940 N941 Y945 | L939-K943 PolarHBondContact O-N 2.91Å; L940-K943 PolarHBondContact O-N 3.03Å; N941-K943 PolarHBondContact O-N 2.89Å; K943-Y945 VanDerWaalsContact C-N 3.27Å; K943-Y945 HydrophobicContact CB-CE2 3.89Å; K943-Y945 VanDerWaalsContact O-CD2 3.23Å; K943-Y945 WeakPolarHBondContact O-CD2 3.4Å; K943-Y945 WeakPolarHBondContact O-CE2 3.35Å; K943-Y945 PolarHBondContact O-N 3.12Å; K943-Y945 VanDerWaalsContact O-N 3.08Å |
| 944 | D | 71.8 | Confident | 73.3 | Confident | 59 Ų | 59 | 36.4 Ų | 36.4 | 32% | 0.316 | 16% | 0.161 | S | C | . | . | trans | -86.5 | 60.8 | 176.9 | -83.6 | -56.5 | 0 | 0 | 0 | 111.8 | K876 L939 S942 Y946 E947 F948 | K876-D944 WeakPolarHBondContact CE-OD2 3.44Å; K876-D944 IonicContact NZ-OD2 2.7Å; K876-D944 PolarHBondContact NZ-OD2 2.89Å; L939-D944 PolarHBondContact O-N 3.46Å; S942-D944 VanDerWaalsContact C-N 3.26Å; S942-D944 PolarHBondContact O-N 3.07Å; S942-D944 PolarHBondContact OG-OD2 3.04Å; D944-Y946 PolarHBondContact O-N 2.71Å; D944-Y946 VanDerWaalsContact O-N 3.13Å; D944-E947 HydrophobicContact CB-CB 4.1Å; D944-E947 PolarHBondContact O-N 2.81Å; D944-E947 VanDerWaalsContact O-N 3.07Å; D944-F948 PolarHBondContact O-N 2.77Å | ||
| 945 | Y | 77.1 | Confident | 74 | Confident | 27 Ų | 27 | 36 Ų | 36 | 11% | 0.106 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.6 | -33.1 | -172 | -52.1 | -64.2 | 0 | 0 | 0 | 114.5 | K943 S949 L978 M981 L982 L985 | K943-Y945 VanDerWaalsContact C-N 3.27Å; K943-Y945 HydrophobicContact CB-CE2 3.89Å; K943-Y945 VanDerWaalsContact O-CD2 3.23Å; K943-Y945 WeakPolarHBondContact O-CD2 3.4Å; K943-Y945 WeakPolarHBondContact O-CE2 3.35Å; K943-Y945 PolarHBondContact O-N 3.12Å; K943-Y945 VanDerWaalsContact O-N 3.08Å; Y945-S949 WeakPolarHBondContact O-CB 3.19Å; Y945-S949 PolarHBondContact O-N 3.05Å; Y945-S949 PolarHBondContact O-OG 3.39Å; Y945-L978 HydrophobicContact CD1-CD1 3.67Å; Y945-L978 HydrophobicContact CG-CD1 4.26Å; Y945-M981 HydrophobicContact CE1-CB 4.11Å; Y945-M981 HydrophobicContact CE1-CE 3.82Å; Y945-M981 HydrophobicContact CE1-SD 4.07Å; Y945-L982 HydrophobicContact CD1-CD2 4Å; Y945-L982 HydrophobicContact CD2-CD2 3.79Å; Y945-L982 HydrophobicContact CE1-CD2 4.49Å; Y945-L982 HydrophobicContact CE2-CD2 4.31Å; Y945-L982 HydrophobicContact CG-CD2 3.63Å; Y945-L985 HydrophobicContact CD2-CD1 4.22Å; Y945-L985 HydrophobicContact CE2-CD1 3.4Å; Y945-L985 VanDerWaalsContact CE2-CD1 3.4Å |
| 946 | Y | 74.1 | Confident | 74.5 | Confident | 130 Ų | 130 | 36.1 Ų | 36.1 | 51% | 0.51 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -71.7 | -43.5 | 177.3 | -174.8 | -87.1 | 0 | 0 | 0 | 111.9 | D944 F948 S949 Y950 V998 | D944-Y946 PolarHBondContact O-N 2.71Å; D944-Y946 VanDerWaalsContact O-N 3.13Å; Y946-F948 VanDerWaalsContact C-N 3.34Å; Y946-S949 PolarHBondContact O-N 2.93Å; Y946-Y950 WeakPolarHBondContact O-CB 3Å; Y946-Y950 PolarHBondContact O-N 2.84Å; Y946-V998 HydrophobicContact CD2-CG2 4.44Å |
| 947 | E | 72.4 | Confident | 74.7 | Confident | 49 Ų | 49 | 40.7 Ų | 40.7 | 23% | 0.229 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.5 | -37 | 179.2 | -164.8 | 70.4 | 174 | 0 | 0 | 111 | L939 D944 R951 | L939-E947 HydrophobicContact CD2-CG 4.46Å; D944-E947 HydrophobicContact CB-CB 4.1Å; D944-E947 PolarHBondContact O-N 2.81Å; D944-E947 VanDerWaalsContact O-N 3.07Å; E947-R951 WeakPolarHBondContact O-CB 3.5Å; E947-R951 WeakPolarHBondContact O-CG 3.37Å; E947-R951 PolarHBondContact O-N 3.21Å; E947-R951 IonicContact OE1-CZ 3.55Å; E947-R951 IonicContact OE1-NE 3.55Å; E947-R951 PolarHBondContact OE1-NE 2.85Å; E947-R951 IonicContact OE1-NH2 3.72Å; E947-R951 PolarHBondContact OE1-NH2 3.47Å |
| 948 | F | 80.8 | Confident | 75.4 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.7 | -58.4 | 167.9 | 174.7 | -114.4 | 0 | 0 | 0 | 111.4 | L939 L940 D944 Y946 Y950 R951 T952 I953 D974 L978 | L939-F948 HydrophobicContact CB-CB 3.93Å; L939-F948 HydrophobicContact CB-CD2 4.22Å; L939-F948 HydrophobicContact CB-CG 4.49Å; L939-F948 HydrophobicContact CD1-CB 4.4Å; L939-F948 HydrophobicContact CD1-CD2 4.46Å; L940-F948 HydrophobicContact CD1-CE2 4.3Å; L940-F948 HydrophobicContact CD1-CZ 4.16Å; L940-F948 HydrophobicContact CD2-CD1 3.85Å; L940-F948 HydrophobicContact CD2-CE1 3.79Å; L940-F948 HydrophobicContact CD2-CG 4.25Å; L940-F948 HydrophobicContact CD2-CZ 4.16Å; L940-F948 HydrophobicContact CG-CD1 4.43Å; L940-F948 HydrophobicContact CG-CD2 4.29Å; L940-F948 HydrophobicContact CG-CE1 4.33Å; L940-F948 HydrophobicContact CG-CE2 4.23Å; L940-F948 HydrophobicContact CG-CG 4.4Å; L940-F948 HydrophobicContact CG-CZ 4.24Å; D944-F948 PolarHBondContact O-N 2.77Å; Y946-F948 VanDerWaalsContact C-N 3.34Å; F948-Y950 PolarHBondContact O-N 2.86Å; F948-R951 PolarHBondContact O-N 2.87Å; F948-T952 HydrophobicContact CD2-CG2 3.94Å; F948-T952 WeakPolarHBondContact CD2-OG1 3.19Å; F948-T952 HydrophobicContact CE2-CG2 3.96Å; F948-T952 WeakPolarHBondContact CE2-OG1 3.35Å; F948-T952 WeakPolarHBondContact O-CB 3.39Å; F948-T952 PolarHBondContact O-N 2.82Å; F948-T952 PolarHBondContact O-OG1 2.75Å; F948-I953 HydrophobicContact CD1-CD1 4.14Å; F948-I953 HydrophobicContact CE1-CD1 3.39Å; F948-I953 HydrophobicContact CE1-CG1 4.33Å; F948-I953 HydrophobicContact CZ-CD1 3.84Å; F948-I953 HydrophobicContact CZ-CG1 4.36Å; F948-D974 HydrophobicContact CZ-CB 4.21Å; F948-L978 HydrophobicContact CD1-CB 4.48Å; F948-L978 HydrophobicContact CD1-CD1 3.96Å; F948-L978 HydrophobicContact CD1-CD2 3.99Å; F948-L978 HydrophobicContact CD1-CG 4.36Å; F948-L978 HydrophobicContact CE1-CB 3.92Å; F948-L978 HydrophobicContact CE1-CD1 4.25Å; F948-L978 HydrophobicContact CE1-CD2 3.83Å; F948-L978 HydrophobicContact CE1-CG 4.2Å |
| 949 | S | 77.7 | Confident | 75.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -45.1 | -176.7 | -57.1 | 0 | 0 | 0 | 0 | 112 | Y945 Y946 I953 F954 V998 | Y945-S949 WeakPolarHBondContact O-CB 3.19Å; Y945-S949 PolarHBondContact O-N 3.05Å; Y945-S949 PolarHBondContact O-OG 3.39Å; Y946-S949 PolarHBondContact O-N 2.93Å; S949-I953 PolarHBondContact O-N 2.94Å; S949-F954 WeakPolarHBondContact O-CD2 3.43Å; S949-F954 PolarHBondContact O-N 3Å; S949-V998 VanDerWaalsContact OG-CG1 3.29Å; S949-V998 WeakPolarHBondContact OG-CG1 3.31Å |
| 950 | Y | 77.8 | Confident | 76.2 | Confident | 111 Ų | 111 | 39.5 Ų | 39.5 | 44% | 0.435 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.3 | -39.2 | -179.6 | 179 | -107.5 | 0 | 0 | 0 | 113.5 | Y946 F948 L1056 | Y946-Y950 WeakPolarHBondContact O-CB 3Å; Y946-Y950 PolarHBondContact O-N 2.84Å; F948-Y950 PolarHBondContact O-N 2.86Å; Y950-L1056 HydrophobicContact CD2-CD2 3.89Å; Y950-L1056 HydrophobicContact CE2-CD2 3.6Å |
| 951 | R | 73.9 | Confident | 76.2 | Confident | 75 Ų | 75 | 39.3 Ų | 39.3 | 28% | 0.283 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -91 | -15.1 | -176.9 | -65.1 | -169.8 | -174.1 | -117.5 | 5.6 | 115.2 | E947 F948 | E947-R951 WeakPolarHBondContact O-CB 3.5Å; E947-R951 WeakPolarHBondContact O-CG 3.37Å; E947-R951 PolarHBondContact O-N 3.21Å; E947-R951 IonicContact OE1-CZ 3.55Å; E947-R951 IonicContact OE1-NE 3.55Å; E947-R951 PolarHBondContact OE1-NE 2.85Å; E947-R951 IonicContact OE1-NH2 3.72Å; E947-R951 PolarHBondContact OE1-NH2 3.47Å; F948-R951 PolarHBondContact O-N 2.87Å |
| 952 | T | 76.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -81.6 | -175.1 | 66.2 | 0 | 0 | 0 | 0 | 112 | L935 F948 F954 C955 W958 | L935-T952 HydrophobicContact CD2-CG2 4.1Å; F948-T952 HydrophobicContact CD2-CG2 3.94Å; F948-T952 WeakPolarHBondContact CD2-OG1 3.19Å; F948-T952 HydrophobicContact CE2-CG2 3.96Å; F948-T952 WeakPolarHBondContact CE2-OG1 3.35Å; F948-T952 WeakPolarHBondContact O-CB 3.39Å; F948-T952 PolarHBondContact O-N 2.82Å; F948-T952 PolarHBondContact O-OG1 2.75Å; T952-F954 VanDerWaalsContact C-N 3.33Å; T952-F954 PolarHBondContact O-N 2.89Å; T952-C955 PolarHBondContact O-N 3.07Å; T952-W958 HydrophobicContact CG2-CD2 4.01Å; T952-W958 HydrophobicContact CG2-CE3 4.47Å; T952-W958 HydrophobicContact CG2-CG 4.46Å; T952-W958 HydrophobicContact CG2-CH2 4.17Å; T952-W958 HydrophobicContact CG2-CZ2 3.69Å |
| 953 | I | 77.7 | Confident | 77 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -38.5 | -172 | -65.9 | 157.1 | 0 | 0 | 0 | 112.6 | F948 S949 L959 L975 L978 V1005 | F948-I953 HydrophobicContact CD1-CD1 4.14Å; F948-I953 HydrophobicContact CE1-CD1 3.39Å; F948-I953 HydrophobicContact CE1-CG1 4.33Å; F948-I953 HydrophobicContact CZ-CD1 3.84Å; F948-I953 HydrophobicContact CZ-CG1 4.36Å; S949-I953 PolarHBondContact O-N 2.94Å; I953-L959 VanDerWaalsContact O-CD1 3.26Å; I953-L959 WeakPolarHBondContact O-CD1 3.28Å; I953-L959 WeakPolarHBondContact O-CG 3.09Å; I953-L975 HydrophobicContact CD1-CD2 3.48Å; I953-L975 VanDerWaalsContact CD1-CD2 3.48Å; I953-L975 HydrophobicContact CD1-CG 4.03Å; I953-L975 HydrophobicContact CG1-CD2 3.88Å; I953-L975 HydrophobicContact CG1-CG 4.11Å; I953-L975 HydrophobicContact CG2-CD2 3.95Å; I953-L978 HydrophobicContact CD1-CD2 3.79Å; I953-V1005 HydrophobicContact CG2-CB 4.4Å; I953-V1005 HydrophobicContact CG2-CG1 3.96Å |
| 954 | F | 81.9 | Confident | 77 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 20.1 | -177.8 | -61.8 | -87 | 0 | 0 | 0 | 113.3 | S949 T952 E1001 V1005 L1053 I1054 L1057 | S949-F954 WeakPolarHBondContact O-CD2 3.43Å; S949-F954 PolarHBondContact O-N 3Å; T952-F954 VanDerWaalsContact C-N 3.33Å; T952-F954 PolarHBondContact O-N 2.89Å; F954-E1001 HydrophobicContact CE1-CB 4.2Å; F954-E1001 HydrophobicContact CZ-CB 3.73Å; F954-V1005 HydrophobicContact CD1-CG2 4.43Å; F954-V1005 HydrophobicContact CE1-CG2 3.59Å; F954-V1005 HydrophobicContact CZ-CG2 3.93Å; F954-L1053 HydrophobicContact CB-CB 3.8Å; F954-L1053 VanDerWaalsContact CD1-C 3.48Å; F954-L1053 HydrophobicContact CD1-CB 3.43Å; F954-L1053 VanDerWaalsContact CD1-CB 3.43Å; F954-L1053 WeakPolarHBondContact CD1-O 3.49Å; F954-L1053 HydrophobicContact CD2-CB 3.7Å; F954-L1053 HydrophobicContact CD2-CD1 3.63Å; F954-L1053 HydrophobicContact CD2-CG 4.29Å; F954-L1053 HydrophobicContact CE1-CB 3.84Å; F954-L1053 HydrophobicContact CE2-CB 4.1Å; F954-L1053 HydrophobicContact CE2-CD1 3.82Å; F954-L1053 HydrophobicContact CG-CB 3.35Å; F954-L1053 HydrophobicContact CG-CD1 4.18Å; F954-L1053 HydrophobicContact CG-CG 4.35Å; F954-L1053 HydrophobicContact CZ-CB 4.16Å; F954-L1053 HydrophobicContact CZ-CD1 4.48Å; F954-I1054 HydrophobicContact CE1-CG1 4.05Å; F954-L1057 HydrophobicContact CD1-CB 4.39Å; F954-L1057 HydrophobicContact CD1-CD2 4.29Å |
| 955 | C | 82.2 | Confident | 76.5 | Confident | 28 Ų | 28 | 30.4 Ų | 30.4 | 19% | 0.189 | 14% | 0.135 | C | C | . | . | trans | -112 | 111.8 | 171.5 | -179.2 | 0 | 0 | 0 | 0 | 109.8 | T952 E957 W958 L959 | T952-C955 PolarHBondContact O-N 3.07Å; C955-E957 VanDerWaalsContact C-N 3.27Å; C955-E957 PolarHBondContact O-N 2.85Å; C955-W958 HydrophobicContact CB-CB 4.09Å; C955-W958 PolarHBondContact O-N 2.82Å; C955-L959 PolarHBondContact O-N 2.66Å | ||
| 956 | F | 82.8 | Confident | 76 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.5 | -38.4 | -179 | 175.6 | -93.6 | 0 | 0 | 0 | 112.5 | W958 Y960 L1023 P1024 L1057 Q1060 E1064 | F956-W958 PolarHBondContact O-N 3.09Å; F956-Y960 WeakPolarHBondContact O-CB 3.41Å; F956-Y960 PolarHBondContact O-N 3.04Å; F956-L1023 HydrophobicContact CD2-CD2 4.24Å; F956-L1023 HydrophobicContact CE2-CB 4.41Å; F956-L1023 HydrophobicContact CE2-CD2 3.8Å; F956-L1023 HydrophobicContact CE2-CG 4.09Å; F956-P1024 HydrophobicContact CE2-CB 3.79Å; F956-P1024 HydrophobicContact CE2-CG 4.19Å; F956-P1024 HydrophobicContact CZ-CB 4.17Å; F956-P1024 HydrophobicContact CZ-CG 4.19Å; F956-L1057 HydrophobicContact CB-CD1 4.28Å; F956-Q1060 HydrophobicContact CB-CB 3.96Å; F956-Q1060 VanDerWaalsContact CB-OE1 3.32Å; F956-E1064 HydrophobicContact CD1-CB 4.41Å; F956-E1064 HydrophobicContact CD1-CG 3.73Å; F956-E1064 HydrophobicContact CE1-CB 3.87Å; F956-E1064 HydrophobicContact CE1-CG 3.5Å; F956-E1064 HydrophobicContact CZ-CB 4Å; F956-E1064 HydrophobicContact CZ-CG 4.16Å |
| 957 | E | 76.6 | Confident | 75.7 | Confident | 99 Ų | 99 | 25.3 Ų | 25.3 | 46% | 0.463 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -64.6 | -39.5 | 179.4 | -63.5 | -178.1 | 165 | 0 | 0 | 112.2 | F891 C955 G961 | F891-E957 HydrophobicContact CE2-CB 4.06Å; F891-E957 HydrophobicContact CE2-CG 4.2Å; F891-E957 HydrophobicContact CZ-CB 4.11Å; F891-E957 HydrophobicContact CZ-CG 4.43Å; C955-E957 VanDerWaalsContact C-N 3.27Å; C955-E957 PolarHBondContact O-N 2.85Å; E957-G961 PolarHBondContact O-N 2.99Å |
| 958 | W | 81.7 | Confident | 75.9 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 2% | 0.019 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -73.4 | -44.5 | 176.9 | -171.4 | 98.2 | 0 | 0 | 0 | 111.8 | L932 T952 C955 F956 G961 K962 V971 D974 | L932-W958 HydrophobicContact CD2-CG 4.32Å; T952-W958 HydrophobicContact CG2-CD2 4.01Å; T952-W958 HydrophobicContact CG2-CE3 4.47Å; T952-W958 HydrophobicContact CG2-CG 4.46Å; T952-W958 HydrophobicContact CG2-CH2 4.17Å; T952-W958 HydrophobicContact CG2-CZ2 3.69Å; C955-W958 HydrophobicContact CB-CB 4.09Å; C955-W958 PolarHBondContact O-N 2.82Å; F956-W958 PolarHBondContact O-N 3.09Å; W958-G961 PolarHBondContact O-N 2.62Å; W958-K962 HydrophobicContact CE3-CB 4.49Å; W958-K962 HydrophobicContact CH2-CD 3.35Å; W958-K962 HydrophobicContact CZ2-CD 3.53Å; W958-K962 HydrophobicContact CZ3-CB 4.47Å; W958-K962 HydrophobicContact CZ3-CD 3.91Å; W958-K962 WeakPolarHBondContact O-CB 3.49Å; W958-K962 PolarHBondContact O-N 2.82Å; W958-V971 HydrophobicContact CZ3-CG1 4.49Å; W958-D974 WeakPolarHBondContact CH2-OD2 3.46Å |
| 959 | L | 80 | Confident | 75.5 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.3 | -55.2 | 174.4 | -78.8 | -177.3 | 0 | 0 | 0 | 111.2 | I953 C955 G961 K962 I963 V971 L1009 L1057 | I953-L959 VanDerWaalsContact O-CD1 3.26Å; I953-L959 WeakPolarHBondContact O-CD1 3.28Å; I953-L959 WeakPolarHBondContact O-CG 3.09Å; C955-L959 PolarHBondContact O-N 2.66Å; L959-G961 VanDerWaalsContact C-N 3.31Å; L959-G961 PolarHBondContact O-N 2.81Å; L959-K962 PolarHBondContact O-N 2.66Å; L959-I963 WeakPolarHBondContact O-CB 3.44Å; L959-I963 VanDerWaalsContact O-CG1 3.25Å; L959-I963 WeakPolarHBondContact O-CG1 3.38Å; L959-I963 PolarHBondContact O-N 3.46Å; L959-V971 HydrophobicContact CD2-CG1 3.85Å; L959-L1009 HydrophobicContact CD2-CD1 4.4Å; L959-L1057 HydrophobicContact CD1-CD1 4.19Å |
| 960 | Y | 78.4 | Confident | 75.1 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 178.8 | 179.7 | -99 | 0 | 0 | 0 | 110.7 | Y927 F956 Y964 P1020 D1021 L1023 | Y927-Y960 VanDerWaalsContact OH-CE1 3.28Å; Y927-Y960 WeakPolarHBondContact OH-CE1 3.41Å; F956-Y960 WeakPolarHBondContact O-CB 3.41Å; F956-Y960 PolarHBondContact O-N 3.04Å; Y960-Y964 HydrophobicContact CE1-CD2 4.3Å; Y960-Y964 HydrophobicContact CE2-CD2 4.33Å; Y960-Y964 AromaticContact CZ-CD2 3.77Å; Y960-Y964 WeakPolarHBondContact O-CB 3.46Å; Y960-Y964 PolarHBondContact O-N 3.49Å; Y960-Y964 WeakPolarHBondContact OH-CD2 3.49Å; Y960-P1020 HydrophobicContact CE2-CB 4.2Å; Y960-D1021 PolarHBondContact OH-OD1 3.42Å; Y960-L1023 HydrophobicContact CD2-CD2 4.41Å |
| 961 | G | 72.1 | Confident | 75.2 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E957 W958 L959 S965 | E957-G961 PolarHBondContact O-N 2.99Å; W958-G961 PolarHBondContact O-N 2.62Å; L959-G961 VanDerWaalsContact C-N 3.31Å; L959-G961 PolarHBondContact O-N 2.81Å; G961-S965 WeakPolarHBondContact O-CB 3.32Å; G961-S965 PolarHBondContact O-N 3.46Å; G961-S965 PolarHBondContact O-OG 3.21Å |
| 962 | K | 76.1 | Confident | 75.6 | Confident | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -74.5 | -39.1 | 179.4 | -168.1 | 162.2 | -179.2 | 163 | 0 | 112.3 | L932 W958 L959 Y964 I966 G967 V971 D974 | L932-K962 WeakPolarHBondContact O-CE 3.45Å; L932-K962 PolarHBondContact O-NZ 3.05Å; W958-K962 HydrophobicContact CE3-CB 4.49Å; W958-K962 HydrophobicContact CH2-CD 3.35Å; W958-K962 HydrophobicContact CZ2-CD 3.53Å; W958-K962 HydrophobicContact CZ3-CB 4.47Å; W958-K962 HydrophobicContact CZ3-CD 3.91Å; W958-K962 WeakPolarHBondContact O-CB 3.49Å; W958-K962 PolarHBondContact O-N 2.82Å; L959-K962 PolarHBondContact O-N 2.66Å; K962-Y964 VanDerWaalsContact C-N 3.35Å; K962-I966 HydrophobicContact CG-CD1 4.19Å; K962-I966 HydrophobicContact CG-CG1 4.4Å; K962-I966 PolarHBondContact O-N 3.38Å; K962-G967 PolarHBondContact O-N 3.11Å; K962-V971 HydrophobicContact CB-CG2 4.16Å; K962-V971 HydrophobicContact CD-CG2 4.04Å; K962-V971 HydrophobicContact CG-CG2 3.9Å; K962-D974 IonicContact NZ-OD1 3.14Å; K962-D974 IonicContact NZ-OD2 2.72Å; K962-D974 PolarHBondContact NZ-OD2 3.1Å |
| 963 | I | 75.4 | Confident | 75.5 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 6% | 0.062 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 173.2 | -68.2 | 170 | 0 | 0 | 0 | 110.6 | L959 G967 V968 V971 P1020 L1023 | L959-I963 WeakPolarHBondContact O-CB 3.44Å; L959-I963 VanDerWaalsContact O-CG1 3.25Å; L959-I963 WeakPolarHBondContact O-CG1 3.38Å; L959-I963 PolarHBondContact O-N 3.46Å; I963-G967 WeakPolarHBondContact O-CA 3.41Å; I963-G967 PolarHBondContact O-N 3.44Å; I963-V968 HydrophobicContact CG1-CG2 4.32Å; I963-V968 HydrophobicContact CG2-CG2 3.98Å; I963-V971 HydrophobicContact CG1-CG2 4.23Å; I963-P1020 HydrophobicContact CG2-CB 4.23Å; I963-L1023 HydrophobicContact CD1-CD1 4.27Å; I963-L1023 HydrophobicContact CD1-CD2 4.41Å |
| 964 | Y | 69.8 | Low | 75.4 | Confident | 37 Ų | 37 | 29.5 Ų | 29.5 | 15% | 0.145 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.5 | -35.2 | -178.6 | -163.9 | -76.9 | 0 | 0 | 0 | 113.5 | H438 Y927 Y960 K962 P1020 | H438-Y964 VanDerWaalsContact CB-OH 3.28Å; H438-Y964 WeakPolarHBondContact CB-OH 3.24Å; Y927-Y964 HydrophobicContact CD2-CD1 4.42Å; Y927-Y964 AromaticContact CE2-CD1 3.52Å; Y927-Y964 HydrophobicContact CE2-CD1 3.52Å; Y927-Y964 HydrophobicContact CE2-CE1 4.2Å; Y927-Y964 HydrophobicContact CE2-CG 4.09Å; Y960-Y964 HydrophobicContact CE1-CD2 4.3Å; Y960-Y964 HydrophobicContact CE2-CD2 4.33Å; Y960-Y964 AromaticContact CZ-CD2 3.77Å; Y960-Y964 WeakPolarHBondContact O-CB 3.46Å; Y960-Y964 PolarHBondContact O-N 3.49Å; Y960-Y964 WeakPolarHBondContact OH-CD2 3.49Å; K962-Y964 VanDerWaalsContact C-N 3.35Å; Y964-P1020 HydrophobicContact CD2-CG 4Å; Y964-P1020 HydrophobicContact CE2-CG 4.42Å |
| 965 | S | 62.8 | Low | 75.3 | Confident | 39 Ų | 39 | 29.5 Ų | 29.5 | 27% | 0.273 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -101.7 | -19.6 | -172.2 | 63.7 | 0 | 0 | 0 | 0 | 115.9 | L932 G961 | L932-S965 VanDerWaalsContact CD1-OG 3.25Å; L932-S965 WeakPolarHBondContact CD1-OG 3.44Å; G961-S965 WeakPolarHBondContact O-CB 3.32Å; G961-S965 PolarHBondContact O-N 3.46Å; G961-S965 PolarHBondContact O-OG 3.21Å |
| 966 | I | 66.2 | Low | 75.1 | Confident | 43 Ų | 43 | 31.7 Ų | 31.7 | 22% | 0.221 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -43.6 | -179.6 | -37.5 | -175 | 0 | 0 | 0 | 111.2 | V929 L932 R933 K962 P970 | V929-I966 HydrophobicContact CG1-CD1 4.36Å; L932-I966 HydrophobicContact CB-CD1 4.1Å; R933-I966 HydrophobicContact CG-CD1 3.8Å; K962-I966 HydrophobicContact CG-CD1 4.19Å; K962-I966 HydrophobicContact CG-CG1 4.4Å; K962-I966 PolarHBondContact O-N 3.38Å; I966-P970 HydrophobicContact CB-CG 4.3Å; I966-P970 HydrophobicContact CG2-CB 4.48Å; I966-P970 HydrophobicContact CG2-CG 3.77Å |
| 967 | G | 67.5 | Low | 74.9 | Confident | 8 Ų | 8 | 34.2 Ų | 34.2 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | trans | 133.2 | -176.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K962 I963 | K962-G967 PolarHBondContact O-N 3.11Å; I963-G967 WeakPolarHBondContact O-CA 3.41Å; I963-G967 PolarHBondContact O-N 3.44Å | ||
| 968 | V | 75.6 | Confident | 75.1 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -80.1 | -40.1 | -179.4 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | I963 V971 L972 L1016 | I963-V968 HydrophobicContact CG1-CG2 4.32Å; I963-V968 HydrophobicContact CG2-CG2 3.98Å; V968-V971 WeakPolarHBondContact O-CB 3.27Å; V968-V971 PolarHBondContact O-N 2.84Å; V968-L972 HydrophobicContact CG1-CD1 4.03Å; V968-L972 HydrophobicContact CG1-CG 4.15Å; V968-L972 PolarHBondContact O-N 2.81Å; V968-L972 VanDerWaalsContact O-N 3.13Å; V968-L1016 HydrophobicContact CG2-CB 4.2Å |
| 969 | E | 72.6 | Confident | 74.9 | Confident | 148 Ų | 148 | 30.3 Ų | 30.3 | 69% | 0.692 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -56.6 | -42.1 | -176.8 | -57.5 | 177.5 | 152.2 | 0 | 0 | 114 | V971 L972 N973 | E969-V971 PolarHBondContact O-N 2.79Å; E969-L972 PolarHBondContact O-N 3.19Å; E969-L972 VanDerWaalsContact O-N 3.13Å; E969-N973 WeakPolarHBondContact O-CB 3.39Å; E969-N973 VanDerWaalsContact O-CG 3.31Å; E969-N973 PolarHBondContact O-N 3.4Å |
| 970 | P | 70.6 | Confident | 74.7 | Confident | 38 Ų | 38 | 34.2 Ų | 34.2 | 25% | 0.247 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.7 | -28.3 | 174.4 | -25.4 | 36.1 | 0 | 0 | 0 | 114.1 | I966 D974 | I966-P970 HydrophobicContact CB-CG 4.3Å; I966-P970 HydrophobicContact CG2-CB 4.48Å; I966-P970 HydrophobicContact CG2-CG 3.77Å; P970-D974 WeakPolarHBondContact O-CB 3.38Å; P970-D974 VanDerWaalsContact O-CG 3.27Å; P970-D974 PolarHBondContact O-N 2.64Å; P970-D974 VanDerWaalsContact O-N 3.13Å |
| 971 | V | 79.8 | Confident | 74.5 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -77.8 | -38.6 | 176.6 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | W958 L959 K962 I963 V968 E969 L975 L1009 | W958-V971 HydrophobicContact CZ3-CG1 4.49Å; L959-V971 HydrophobicContact CD2-CG1 3.85Å; K962-V971 HydrophobicContact CB-CG2 4.16Å; K962-V971 HydrophobicContact CD-CG2 4.04Å; K962-V971 HydrophobicContact CG-CG2 3.9Å; I963-V971 HydrophobicContact CG1-CG2 4.23Å; V968-V971 WeakPolarHBondContact O-CB 3.27Å; V968-V971 PolarHBondContact O-N 2.84Å; E969-V971 PolarHBondContact O-N 2.79Å; V971-L975 HydrophobicContact CG1-CD1 4.27Å; V971-L975 WeakPolarHBondContact O-CB 3.33Å; V971-L975 WeakPolarHBondContact O-CG 3.36Å; V971-L975 PolarHBondContact O-N 3Å; V971-L1009 HydrophobicContact CG1-CD1 4.07Å |
| 972 | L | 80.9 | Confident | 74.6 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 16% | 0.157 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -36.4 | 175 | -65 | 177.2 | 0 | 0 | 0 | 112 | V968 E969 L975 Q976 Q1006 L1009 | V968-L972 HydrophobicContact CG1-CD1 4.03Å; V968-L972 HydrophobicContact CG1-CG 4.15Å; V968-L972 PolarHBondContact O-N 2.81Å; V968-L972 VanDerWaalsContact O-N 3.13Å; E969-L972 PolarHBondContact O-N 3.19Å; E969-L972 VanDerWaalsContact O-N 3.13Å; L972-L975 PolarHBondContact O-N 2.74Å; L972-Q976 PolarHBondContact O-N 3.03Å; L972-Q1006 HydrophobicContact CD2-CG 4.25Å; L972-L1009 HydrophobicContact CD2-CB 3.84Å |
| 973 | N | 74.5 | Confident | 74.5 | Confident | 80 Ų | 80 | 37.5 Ų | 37.5 | 43% | 0.428 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.9 | -45.9 | 174.6 | -69.3 | -11.9 | 0 | 0 | 0 | 111.8 | E969 L975 Q976 I977 | E969-N973 WeakPolarHBondContact O-CB 3.39Å; E969-N973 VanDerWaalsContact O-CG 3.31Å; E969-N973 PolarHBondContact O-N 3.4Å; N973-L975 VanDerWaalsContact C-N 3.27Å; N973-L975 PolarHBondContact O-N 2.69Å; N973-Q976 PolarHBondContact O-N 3.38Å; N973-I977 WeakPolarHBondContact O-CD1 3.48Å; N973-I977 VanDerWaalsContact O-CG1 3.28Å; N973-I977 WeakPolarHBondContact O-CG1 3.27Å; N973-I977 PolarHBondContact O-N 3.45Å |
| 974 | D | 75.4 | Confident | 74.3 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 9% | 0.086 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.6 | -43.4 | 171.8 | -83.1 | -22.6 | 0 | 0 | 0 | 111.5 | S936 F948 W958 K962 P970 L978 | S936-D974 VanDerWaalsContact CB-CG 3.45Å; S936-D974 WeakPolarHBondContact CB-OD1 3.28Å; S936-D974 WeakPolarHBondContact CB-OD2 3.31Å; S936-D974 VanDerWaalsContact OG-CG 3.28Å; S936-D974 PolarHBondContact OG-OD1 2.97Å; S936-D974 PolarHBondContact OG-OD2 2.92Å; F948-D974 HydrophobicContact CZ-CB 4.21Å; W958-D974 WeakPolarHBondContact CH2-OD2 3.46Å; K962-D974 IonicContact NZ-OD1 3.14Å; K962-D974 IonicContact NZ-OD2 2.72Å; K962-D974 PolarHBondContact NZ-OD2 3.1Å; P970-D974 WeakPolarHBondContact O-CB 3.38Å; P970-D974 VanDerWaalsContact O-CG 3.27Å; P970-D974 PolarHBondContact O-N 2.64Å; P970-D974 VanDerWaalsContact O-N 3.13Å; D974-L978 PolarHBondContact O-N 2.79Å; D974-L978 VanDerWaalsContact O-N 3.14Å |
| 975 | L | 80.8 | Confident | 74.1 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -43.7 | 177.4 | -87.4 | 161.1 | 0 | 0 | 0 | 113 | I953 V971 L972 N973 L978 I979 Q1006 L1009 | I953-L975 HydrophobicContact CD1-CD2 3.48Å; I953-L975 VanDerWaalsContact CD1-CD2 3.48Å; I953-L975 HydrophobicContact CD1-CG 4.03Å; I953-L975 HydrophobicContact CG1-CD2 3.88Å; I953-L975 HydrophobicContact CG1-CG 4.11Å; I953-L975 HydrophobicContact CG2-CD2 3.95Å; V971-L975 HydrophobicContact CG1-CD1 4.27Å; V971-L975 WeakPolarHBondContact O-CB 3.33Å; V971-L975 WeakPolarHBondContact O-CG 3.36Å; V971-L975 PolarHBondContact O-N 3Å; L972-L975 PolarHBondContact O-N 2.74Å; N973-L975 VanDerWaalsContact C-N 3.27Å; N973-L975 PolarHBondContact O-N 2.69Å; L975-L978 WeakPolarHBondContact O-CB 3.43Å; L975-L978 PolarHBondContact O-N 3.06Å; L975-I979 WeakPolarHBondContact O-CG1 3.47Å; L975-I979 PolarHBondContact O-N 3.11Å; L975-Q1006 HydrophobicContact CB-CB 4.34Å; L975-Q1006 HydrophobicContact CB-CG 4.1Å; L975-Q1006 HydrophobicContact CD1-CB 4.13Å; L975-Q1006 HydrophobicContact CD1-CG 4.38Å; L975-Q1006 HydrophobicContact CD2-CB 4.42Å; L975-L1009 HydrophobicContact CD1-CD1 4.03Å |
| 976 | Q | 78.6 | Confident | 73.8 | Confident | 73 Ų | 73 | 43.5 Ų | 43.5 | 34% | 0.341 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 177.9 | -171.9 | 62.7 | 46.7 | 0 | 0 | 111.1 | L972 N973 L978 I979 D980 | L972-Q976 PolarHBondContact O-N 3.03Å; N973-Q976 PolarHBondContact O-N 3.38Å; Q976-L978 VanDerWaalsContact C-N 3.29Å; Q976-L978 PolarHBondContact O-N 3.29Å; Q976-I979 PolarHBondContact O-N 2.85Å; Q976-I979 VanDerWaalsContact O-N 3.12Å; Q976-D980 PolarHBondContact NE2-OD1 2.85Å; Q976-D980 WeakPolarHBondContact O-CB 3.46Å; Q976-D980 VanDerWaalsContact O-CG 3.3Å; Q976-D980 PolarHBondContact O-N 3.36Å |
| 977 | I | 77.2 | Confident | 73.1 | Confident | 56 Ų | 56 | 48.6 Ų | 48.6 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -38 | 178.4 | -67.4 | 164.8 | 0 | 0 | 0 | 111.2 | L940 N973 M981 | L940-I977 HydrophobicContact CD1-CB 4.5Å; L940-I977 HydrophobicContact CD1-CG2 4.01Å; N973-I977 WeakPolarHBondContact O-CD1 3.48Å; N973-I977 VanDerWaalsContact O-CG1 3.28Å; N973-I977 WeakPolarHBondContact O-CG1 3.27Å; N973-I977 PolarHBondContact O-N 3.45Å; I977-M981 HydrophobicContact CG2-CE 4.05Å; I977-M981 WeakPolarHBondContact O-CB 3.49Å; I977-M981 WeakPolarHBondContact O-CG 3.47Å; I977-M981 PolarHBondContact O-N 2.81Å; I977-M981 VanDerWaalsContact O-N 3.13Å |
| 978 | L | 80.3 | Confident | 72.4 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -51.7 | 171.2 | 177.1 | 65.9 | 0 | 0 | 0 | 111.3 | L940 Y945 F948 I953 D974 L975 Q976 D980 M981 L982 S1002 | L940-L978 HydrophobicContact CD2-CB 4.13Å; L940-L978 HydrophobicContact CD2-CD1 4.18Å; Y945-L978 HydrophobicContact CD1-CD1 3.67Å; Y945-L978 HydrophobicContact CG-CD1 4.26Å; F948-L978 HydrophobicContact CD1-CB 4.48Å; F948-L978 HydrophobicContact CD1-CD1 3.96Å; F948-L978 HydrophobicContact CD1-CD2 3.99Å; F948-L978 HydrophobicContact CD1-CG 4.36Å; F948-L978 HydrophobicContact CE1-CB 3.92Å; F948-L978 HydrophobicContact CE1-CD1 4.25Å; F948-L978 HydrophobicContact CE1-CD2 3.83Å; F948-L978 HydrophobicContact CE1-CG 4.2Å; I953-L978 HydrophobicContact CD1-CD2 3.79Å; D974-L978 PolarHBondContact O-N 2.79Å; D974-L978 VanDerWaalsContact O-N 3.14Å; L975-L978 WeakPolarHBondContact O-CB 3.43Å; L975-L978 PolarHBondContact O-N 3.06Å; Q976-L978 VanDerWaalsContact C-N 3.29Å; Q976-L978 PolarHBondContact O-N 3.29Å; L978-D980 PolarHBondContact O-N 3.47Å; L978-M981 PolarHBondContact O-N 3.29Å; L978-L982 HydrophobicContact CD1-CD1 3.93Å; L978-L982 HydrophobicContact CD1-CD2 4.33Å; L978-L982 HydrophobicContact CD1-CG 3.93Å; L978-L982 HydrophobicContact CD2-CD1 4.48Å; L978-L982 HydrophobicContact CG-CD1 3.96Å; L978-L982 HydrophobicContact CG-CG 4.26Å; L978-L982 WeakPolarHBondContact O-CG 3.21Å; L978-L982 PolarHBondContact O-N 2.78Å; L978-S1002 WeakPolarHBondContact CD2-OG 3.44Å |
| 979 | I | 78.6 | Confident | 70.7 | Confident | 21 Ų | 21 | 59.9 Ų | 59.9 | 11% | 0.108 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.3 | -39.1 | -174.9 | -69.5 | 164.7 | 0 | 0 | 0 | 111.5 | L975 Q976 S983 Q1006 | L975-I979 WeakPolarHBondContact O-CG1 3.47Å; L975-I979 PolarHBondContact O-N 3.11Å; Q976-I979 PolarHBondContact O-N 2.85Å; Q976-I979 VanDerWaalsContact O-N 3.12Å; I979-S983 WeakPolarHBondContact O-CB 3.26Å; I979-S983 PolarHBondContact O-N 2.8Å; I979-S983 PolarHBondContact O-OG 3.48Å; I979-Q1006 HydrophobicContact CD1-CB 4.44Å |
| 980 | D | 75.5 | Confident | 69.7 | Low | 82 Ų | 82 | 59.7 Ų | 59.7 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 173.8 | -71.5 | -4.5 | 0 | 0 | 0 | 111 | Q976 L978 S983 S984 | Q976-D980 PolarHBondContact NE2-OD1 2.85Å; Q976-D980 WeakPolarHBondContact O-CB 3.46Å; Q976-D980 VanDerWaalsContact O-CG 3.3Å; Q976-D980 PolarHBondContact O-N 3.36Å; L978-D980 PolarHBondContact O-N 3.47Å; D980-S983 PolarHBondContact O-N 2.79Å; D980-S984 PolarHBondContact O-N 3.41Å |
| 981 | M | 74.1 | Confident | 68.8 | Low | 44 Ų | 44 | 65.7 Ų | 65.7 | 22% | 0.217 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 178 | -79.9 | -158 | -74 | 0 | 0 | 113 | L940 Y945 I977 L978 S983 S984 | L940-M981 HydrophobicContact CB-CE 3.64Å; L940-M981 HydrophobicContact CD2-CE 3.49Å; L940-M981 VanDerWaalsContact CD2-CE 3.49Å; L940-M981 HydrophobicContact CG-CE 4.12Å; Y945-M981 HydrophobicContact CE1-CB 4.11Å; Y945-M981 HydrophobicContact CE1-CE 3.82Å; Y945-M981 HydrophobicContact CE1-SD 4.07Å; I977-M981 HydrophobicContact CG2-CE 4.05Å; I977-M981 WeakPolarHBondContact O-CB 3.49Å; I977-M981 WeakPolarHBondContact O-CG 3.47Å; I977-M981 PolarHBondContact O-N 2.81Å; I977-M981 VanDerWaalsContact O-N 3.13Å; L978-M981 PolarHBondContact O-N 3.29Å; M981-S983 VanDerWaalsContact C-N 3.26Å; M981-S983 PolarHBondContact O-N 2.81Å; M981-S984 WeakPolarHBondContact O-CB 3.35Å; M981-S984 PolarHBondContact O-N 3.39Å; M981-S984 PolarHBondContact O-OG 3.3Å |
| 982 | L | 75.5 | Confident | 67.7 | Low | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 176.5 | -66.4 | -176 | 0 | 0 | 0 | 111.1 | Y945 L978 S984 L985 I995 V998 R999 | Y945-L982 HydrophobicContact CD1-CD2 4Å; Y945-L982 HydrophobicContact CD2-CD2 3.79Å; Y945-L982 HydrophobicContact CE1-CD2 4.49Å; Y945-L982 HydrophobicContact CE2-CD2 4.31Å; Y945-L982 HydrophobicContact CG-CD2 3.63Å; L978-L982 HydrophobicContact CD1-CD1 3.93Å; L978-L982 HydrophobicContact CD1-CD2 4.33Å; L978-L982 HydrophobicContact CD1-CG 3.93Å; L978-L982 HydrophobicContact CD2-CD1 4.48Å; L978-L982 HydrophobicContact CG-CD1 3.96Å; L978-L982 HydrophobicContact CG-CG 4.26Å; L978-L982 WeakPolarHBondContact O-CG 3.21Å; L978-L982 PolarHBondContact O-N 2.78Å; L982-S984 PolarHBondContact O-N 3.33Å; L982-L985 HydrophobicContact CD2-CD1 4.3Å; L982-L985 PolarHBondContact O-N 2.73Å; L982-L985 VanDerWaalsContact O-N 3.1Å; L982-I995 HydrophobicContact CD2-CG2 4.15Å; L982-V998 HydrophobicContact CD1-CG1 4.07Å; L982-R999 HydrophobicContact CB-CB 4.5Å; L982-R999 HydrophobicContact CB-CG 4.42Å; L982-R999 HydrophobicContact CD1-CB 3.92Å |
| 983 | S | 73.7 | Confident | 66.5 | Low | 47 Ų | 47 | 74 Ų | 74 | 33% | 0.329 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.9 | -20.4 | 175.2 | -56.2 | 0 | 0 | 0 | 0 | 113.9 | I979 D980 M981 R999 | I979-S983 WeakPolarHBondContact O-CB 3.26Å; I979-S983 PolarHBondContact O-N 2.8Å; I979-S983 PolarHBondContact O-OG 3.48Å; D980-S983 PolarHBondContact O-N 2.79Å; M981-S983 VanDerWaalsContact C-N 3.26Å; M981-S983 PolarHBondContact O-N 2.81Å; S983-R999 VanDerWaalsContact CB-NH2 3.29Å; S983-R999 PolarHBondContact OG-NE 2.95Å; S983-R999 PolarHBondContact OG-NH2 2.88Å |
| 984 | S | 70.6 | Confident | 66 | Low | 81 Ų | 81 | 74.6 Ų | 74.6 | 57% | 0.566 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -81 | -16.6 | 174.5 | 77.8 | 0 | 0 | 0 | 0 | 113.9 | D980 M981 L982 | D980-S984 PolarHBondContact O-N 3.41Å; M981-S984 WeakPolarHBondContact O-CB 3.35Å; M981-S984 PolarHBondContact O-N 3.39Å; M981-S984 PolarHBondContact O-OG 3.3Å; L982-S984 PolarHBondContact O-N 3.33Å |
| 985 | L | 65.4 | Low | 65.6 | Low | 46 Ų | 46 | 75.6 Ų | 75.6 | 24% | 0.241 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -90.8 | -13.8 | -173 | -77.1 | 156.3 | 0 | 0 | 0 | 114.3 | Y945 L982 N987 Q988 | Y945-L985 HydrophobicContact CD2-CD1 4.22Å; Y945-L985 HydrophobicContact CE2-CD1 3.4Å; Y945-L985 VanDerWaalsContact CE2-CD1 3.4Å; L982-L985 HydrophobicContact CD2-CD1 4.3Å; L982-L985 PolarHBondContact O-N 2.73Å; L982-L985 VanDerWaalsContact O-N 3.1Å; L985-N987 PolarHBondContact O-N 3.02Å; L985-Q988 PolarHBondContact O-N 3.32Å; L985-Q988 VanDerWaalsContact O-N 3.08Å |
| 986 | D | 55.9 | Low | 64.9 | Low | 88 Ų | 88 | 80.9 Ų | 80.9 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -17.6 | -178.4 | -67.1 | -21.7 | 0 | 0 | 0 | 114 | R999 | D986-R999 IonicContact OD1-NH1 3.62Å; D986-R999 PolarHBondContact OD1-NH1 3.14Å; D986-R999 IonicContact OD2-CZ 3.81Å; D986-R999 IonicContact OD2-NH1 2.68Å; D986-R999 PolarHBondContact OD2-NH1 3.12Å; D986-R999 IonicContact OD2-NH2 3.01Å; D986-R999 PolarHBondContact OD2-NH2 3.21Å |
| 987 | N | 52.7 | Low | 64.3 | Low | 150 Ų | 150 | 80.9 Ų | 80.9 | 80% | 0.802 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 3.5 | -179.6 | -68 | -60.1 | 0 | 0 | 0 | 115.5 | L985 | L985-N987 PolarHBondContact O-N 3.02Š|
| 988 | Q | 52.1 | Low | 64.1 | Low | 149 Ų | 149 | 78.6 Ų | 78.6 | 70% | 0.696 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -122.2 | 116.1 | -177.7 | -63.9 | -166.6 | 0.2 | 0 | 0 | 113.8 | L985 N990 | L985-Q988 PolarHBondContact O-N 3.32Å; L985-Q988 VanDerWaalsContact O-N 3.08Å; Q988-N990 PolarHBondContact O-N 3Å |
| 989 | S | 41 | Very low | 63.7 | Low | 107 Ų | 107 | 82 Ų | 82 | 75% | 0.748 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 37.9 | -148.8 | 68.1 | 0 | 0 | 0 | 0 | 117.4 | ||
| 990 | N | 50.8 | Low | 63.3 | Low | 143 Ų | 143 | 86.8 Ų | 86.8 | 77% | 0.765 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -141 | 3.2 | -173.4 | -83.9 | -49 | 0 | 0 | 0 | 117.4 | Q988 | Q988-N990 PolarHBondContact O-N 3Š|
| 991 | F | 51.5 | Low | 63.1 | Low | 164 Ų | 164 | 84.2 Ų | 84.2 | 72% | 0.719 | 44% | 0.441 | S | S | * | . | trans | -135.1 | 18.4 | -172.3 | -84.9 | -84.9 | 0 | 0 | 0 | 115.8 | I995 | F991-I995 HydrophobicContact CB-CD1 3.84Š| ||
| 992 | T | 56.8 | Low | 63.3 | Low | 81 Ų | 81 | 82.1 Ų | 82.1 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.1 | -62.4 | -159.4 | 50.6 | 0 | 0 | 0 | 0 | 116.9 | N994 I995 E996 | T992-N994 PolarHBondContact O-N 2.92Å; T992-N994 VanDerWaalsContact O-N 3.14Å; T992-I995 PolarHBondContact O-N 3.2Å; T992-E996 PolarHBondContact O-N 3.22Å; T992-E996 VanDerWaalsContact O-N 3.12Å |
| 993 | E | 56.4 | Low | 63.1 | Low | 126 Ų | 126 | 84 Ų | 84 | 59% | 0.589 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -47.9 | -51.6 | -166.6 | -83.8 | -164.8 | -171.7 | 0 | 0 | 114.2 | T997 K1050 | E993-T997 PolarHBondContact O-N 3.25Å; E993-T997 PolarHBondContact O-OG1 3.42Å; E993-K1050 IonicContact OE2-NZ 2.7Å; E993-K1050 PolarHBondContact OE2-NZ 3.38Å |
| 994 | N | 63.9 | Low | 63 | Low | 92 Ų | 92 | 82.2 Ų | 82.2 | 49% | 0.492 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.6 | -35.4 | -174 | -70.9 | -7.5 | 0 | 0 | 0 | 111.8 | T992 T997 V998 | T992-N994 PolarHBondContact O-N 2.92Å; T992-N994 VanDerWaalsContact O-N 3.14Å; N994-T997 WeakPolarHBondContact CA-OG1 3.32Å; N994-T997 PolarHBondContact O-N 3.03Å; N994-T997 PolarHBondContact O-OG1 2.85Å; N994-V998 WeakPolarHBondContact O-CG2 3.49Å; N994-V998 PolarHBondContact O-N 2.77Å |
| 995 | I | 67 | Low | 63.5 | Low | 36 Ų | 36 | 78.7 Ų | 78.7 | 19% | 0.185 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 180 | -74 | 175.9 | 0 | 0 | 0 | 110.5 | L982 F991 T992 T997 V998 R999 | L982-I995 HydrophobicContact CD2-CG2 4.15Å; F991-I995 HydrophobicContact CB-CD1 3.84Å; T992-I995 PolarHBondContact O-N 3.2Å; I995-T997 PolarHBondContact O-N 2.9Å; I995-V998 PolarHBondContact O-N 2.98Å; I995-R999 WeakPolarHBondContact O-CB 3.34Å; I995-R999 PolarHBondContact O-N 3.4Å |
| 996 | E | 64.4 | Low | 64.2 | Low | 112 Ų | 112 | 77.7 Ų | 77.7 | 52% | 0.523 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176 | -70.4 | 173.7 | -154.2 | 0 | 0 | 111.5 | T992 R999 F1000 | T992-E996 PolarHBondContact O-N 3.22Å; T992-E996 VanDerWaalsContact O-N 3.12Å; E996-R999 PolarHBondContact O-N 3.43Å; E996-F1000 WeakPolarHBondContact O-CB 3.49Å; E996-F1000 PolarHBondContact O-N 3.29Å |
| 997 | T | 67.3 | Low | 64.8 | Low | 72 Ų | 72 | 77.2 Ų | 77.2 | 44% | 0.442 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 176.4 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | E993 N994 I995 R999 F1000 E1001 | E993-T997 PolarHBondContact O-N 3.25Å; E993-T997 PolarHBondContact O-OG1 3.42Å; N994-T997 WeakPolarHBondContact CA-OG1 3.32Å; N994-T997 PolarHBondContact O-N 3.03Å; N994-T997 PolarHBondContact O-OG1 2.85Å; I995-T997 PolarHBondContact O-N 2.9Å; T997-R999 PolarHBondContact O-N 3.07Å; T997-F1000 PolarHBondContact O-N 2.87Å; T997-E1001 WeakPolarHBondContact O-CB 3.42Å; T997-E1001 WeakPolarHBondContact O-CG 3.42Å; T997-E1001 PolarHBondContact O-N 3.11Å |
| 998 | V | 72.3 | Confident | 65.9 | Low | 9 Ų | 9 | 70.3 Ų | 70.3 | 6% | 0.055 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 178.8 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | Y946 S949 L982 N994 I995 S1002 L1053 | Y946-V998 HydrophobicContact CD2-CG2 4.44Å; S949-V998 VanDerWaalsContact OG-CG1 3.29Å; S949-V998 WeakPolarHBondContact OG-CG1 3.31Å; L982-V998 HydrophobicContact CD1-CG1 4.07Å; N994-V998 WeakPolarHBondContact O-CG2 3.49Å; N994-V998 PolarHBondContact O-N 2.77Å; I995-V998 PolarHBondContact O-N 2.98Å; V998-S1002 WeakPolarHBondContact O-CB 3.47Å; V998-S1002 PolarHBondContact O-N 3Å; V998-S1002 PolarHBondContact O-OG 3.4Å; V998-L1053 HydrophobicContact CG2-CD1 4.33Å |
| 999 | R | 72.7 | Confident | 67.2 | Low | 72 Ų | 72 | 63.4 Ų | 63.4 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 175.3 | -172.5 | -176.1 | -175.1 | -177.1 | 6 | 111.6 | L982 S983 D986 I995 E996 T997 S1003 | L982-R999 HydrophobicContact CB-CB 4.5Å; L982-R999 HydrophobicContact CB-CG 4.42Å; L982-R999 HydrophobicContact CD1-CB 3.92Å; S983-R999 VanDerWaalsContact CB-NH2 3.29Å; S983-R999 PolarHBondContact OG-NE 2.95Å; S983-R999 PolarHBondContact OG-NH2 2.88Å; D986-R999 IonicContact OD1-NH1 3.62Å; D986-R999 PolarHBondContact OD1-NH1 3.14Å; D986-R999 IonicContact OD2-CZ 3.81Å; D986-R999 IonicContact OD2-NH1 2.68Å; D986-R999 PolarHBondContact OD2-NH1 3.12Å; D986-R999 IonicContact OD2-NH2 3.01Å; D986-R999 PolarHBondContact OD2-NH2 3.21Å; I995-R999 WeakPolarHBondContact O-CB 3.34Å; I995-R999 PolarHBondContact O-N 3.4Å; E996-R999 PolarHBondContact O-N 3.43Å; T997-R999 PolarHBondContact O-N 3.07Å; R999-S1003 WeakPolarHBondContact O-CB 3.41Å; R999-S1003 PolarHBondContact O-N 3.21Å |
| 1000 | F | 68.9 | Low | 68.7 | Low | 120 Ų | 120 | 61.6 Ų | 61.6 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -53.7 | 177.2 | 178.2 | -98.3 | 0 | 0 | 0 | 112.2 | E996 T997 S1002 S1003 V1004 F1034 | E996-F1000 WeakPolarHBondContact O-CB 3.49Å; E996-F1000 PolarHBondContact O-N 3.29Å; T997-F1000 PolarHBondContact O-N 2.87Å; F1000-S1002 VanDerWaalsContact C-N 3.3Å; F1000-S1002 PolarHBondContact O-N 3.32Å; F1000-S1003 PolarHBondContact O-N 3.35Å; F1000-V1004 HydrophobicContact CD1-CG2 4.49Å; F1000-V1004 HydrophobicContact CE1-CG2 4.08Å; F1000-V1004 HydrophobicContact CE2-CG2 4.37Å; F1000-V1004 HydrophobicContact CZ-CG2 4.02Å; F1000-V1004 WeakPolarHBondContact O-CG2 3.3Å; F1000-V1004 PolarHBondContact O-N 3.11Å; F1000-F1034 HydrophobicContact CE1-CD1 4.45Å; F1000-F1034 HydrophobicContact CE1-CE1 4.29Å; F1000-F1034 HydrophobicContact CZ-CE1 4.08Å |
| 1001 | E | 72.8 | Confident | 69.4 | Low | 28 Ų | 28 | 60 Ų | 60 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | -179.1 | -68 | -174.6 | -168 | 0 | 0 | 111.3 | F954 T997 V1004 V1005 S1052 L1053 I1054 | F954-E1001 HydrophobicContact CE1-CB 4.2Å; F954-E1001 HydrophobicContact CZ-CB 3.73Å; T997-E1001 WeakPolarHBondContact O-CB 3.42Å; T997-E1001 WeakPolarHBondContact O-CG 3.42Å; T997-E1001 PolarHBondContact O-N 3.11Å; E1001-V1004 PolarHBondContact O-N 3.33Å; E1001-V1005 WeakPolarHBondContact O-CG2 3.03Å; E1001-V1005 PolarHBondContact O-N 3.27Å; E1001-V1005 VanDerWaalsContact O-N 3.09Å; E1001-S1052 WeakPolarHBondContact OE1-CB 3.4Å; E1001-L1053 WeakPolarHBondContact OE2-CA 3.35Å; E1001-L1053 WeakPolarHBondContact OE2-CB 3.49Å; E1001-L1053 PolarHBondContact OE2-N 3.31Å; E1001-I1054 HydrophobicContact CB-CD1 4.15Å; E1001-I1054 HydrophobicContact CB-CG1 4.25Å; E1001-I1054 HydrophobicContact CG-CD1 3.86Å; E1001-I1054 HydrophobicContact CG-CG1 4.14Å; E1001-I1054 PolarHBondContact OE2-N 3.11Å |
| 1002 | S | 77.9 | Confident | 70.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 176.9 | -56.9 | 0 | 0 | 0 | 0 | 112.5 | L978 V998 F1000 V1005 Q1006 | L978-S1002 WeakPolarHBondContact CD2-OG 3.44Å; V998-S1002 WeakPolarHBondContact O-CB 3.47Å; V998-S1002 PolarHBondContact O-N 3Å; V998-S1002 PolarHBondContact O-OG 3.4Å; F1000-S1002 VanDerWaalsContact C-N 3.3Å; F1000-S1002 PolarHBondContact O-N 3.32Å; S1002-V1005 PolarHBondContact O-N 3.14Å; S1002-Q1006 WeakPolarHBondContact O-CB 3.18Å; S1002-Q1006 PolarHBondContact O-N 3.24Å |
| 1003 | S | 70.9 | Confident | 71.1 | Confident | 42 Ų | 42 | 50.4 Ų | 50.4 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | R999 F1000 Q1006 N1007 | R999-S1003 WeakPolarHBondContact O-CB 3.41Å; R999-S1003 PolarHBondContact O-N 3.21Å; F1000-S1003 PolarHBondContact O-N 3.35Å; S1003-Q1006 PolarHBondContact O-N 2.78Å; S1003-N1007 WeakPolarHBondContact O-CB 3.44Å; S1003-N1007 PolarHBondContact O-N 2.87Å; S1003-N1007 PolarHBondContact O-ND2 3.32Å |
| 1004 | V | 72.9 | Confident | 71.4 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 173.2 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | F1000 E1001 N1007 I1008 L1031 F1034 I1054 | F1000-V1004 HydrophobicContact CD1-CG2 4.49Å; F1000-V1004 HydrophobicContact CE1-CG2 4.08Å; F1000-V1004 HydrophobicContact CE2-CG2 4.37Å; F1000-V1004 HydrophobicContact CZ-CG2 4.02Å; F1000-V1004 WeakPolarHBondContact O-CG2 3.3Å; F1000-V1004 PolarHBondContact O-N 3.11Å; E1001-V1004 PolarHBondContact O-N 3.33Å; V1004-N1007 PolarHBondContact O-N 3.46Å; V1004-I1008 HydrophobicContact CG1-CD1 3.88Å; V1004-I1008 WeakPolarHBondContact O-CD1 3.46Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.38Å; V1004-I1008 PolarHBondContact O-N 3.45Å; V1004-I1008 VanDerWaalsContact O-N 3.16Å; V1004-L1031 HydrophobicContact CG1-CD2 3.82Å; V1004-F1034 HydrophobicContact CG1-CD2 4.16Å; V1004-F1034 HydrophobicContact CG1-CE1 4.33Å; V1004-F1034 HydrophobicContact CG1-CE2 3.84Å; V1004-F1034 HydrophobicContact CG1-CZ 3.92Å; V1004-F1034 HydrophobicContact CG2-CE1 4.07Å; V1004-F1034 HydrophobicContact CG2-CZ 4.14Å; V1004-I1054 HydrophobicContact CG1-CD1 4.48Å |
| 1005 | V | 80.3 | Confident | 71.4 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.4 | -41 | 177.1 | 173.4 | 0 | 0 | 0 | 0 | 112.1 | I953 F954 E1001 S1002 N1007 I1008 L1009 | I953-V1005 HydrophobicContact CG2-CB 4.4Å; I953-V1005 HydrophobicContact CG2-CG1 3.96Å; F954-V1005 HydrophobicContact CD1-CG2 4.43Å; F954-V1005 HydrophobicContact CE1-CG2 3.59Å; F954-V1005 HydrophobicContact CZ-CG2 3.93Å; E1001-V1005 WeakPolarHBondContact O-CG2 3.03Å; E1001-V1005 PolarHBondContact O-N 3.27Å; E1001-V1005 VanDerWaalsContact O-N 3.09Å; S1002-V1005 PolarHBondContact O-N 3.14Å; V1005-N1007 PolarHBondContact O-N 3.42Å; V1005-I1008 PolarHBondContact O-N 3.46Å; V1005-L1009 HydrophobicContact CG1-CD1 3.78Å; V1005-L1009 HydrophobicContact CG1-CG 4.17Å; V1005-L1009 WeakPolarHBondContact O-CB 3.46Å; V1005-L1009 WeakPolarHBondContact O-CG 3.32Å; V1005-L1009 PolarHBondContact O-N 3.21Å |
| 1006 | Q | 79 | Confident | 71.5 | Confident | 26 Ų | 26 | 49.7 Ų | 49.7 | 12% | 0.121 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.8 | -46.2 | 176.3 | -169 | -167.5 | 25.8 | 0 | 0 | 111.7 | L972 L975 I979 S1002 S1003 I1008 L1009 T1010 | L972-Q1006 HydrophobicContact CD2-CG 4.25Å; L975-Q1006 HydrophobicContact CB-CB 4.34Å; L975-Q1006 HydrophobicContact CB-CG 4.1Å; L975-Q1006 HydrophobicContact CD1-CB 4.13Å; L975-Q1006 HydrophobicContact CD1-CG 4.38Å; L975-Q1006 HydrophobicContact CD2-CB 4.42Å; I979-Q1006 HydrophobicContact CD1-CB 4.44Å; S1002-Q1006 WeakPolarHBondContact O-CB 3.18Å; S1002-Q1006 PolarHBondContact O-N 3.24Å; S1003-Q1006 PolarHBondContact O-N 2.78Å; Q1006-I1008 PolarHBondContact O-N 2.66Å; Q1006-L1009 PolarHBondContact O-N 2.94Å; Q1006-T1010 WeakPolarHBondContact O-CB 3.41Å; Q1006-T1010 PolarHBondContact O-N 3.42Å; Q1006-T1010 PolarHBondContact O-OG1 2.9Å |
| 1007 | N | 70 | Confident | 71.5 | Confident | 78 Ų | 78 | 51 Ų | 51 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 178.1 | -75.1 | -39.5 | 0 | 0 | 0 | 111.8 | S1003 V1004 V1005 T1010 Q1011 | S1003-N1007 WeakPolarHBondContact O-CB 3.44Å; S1003-N1007 PolarHBondContact O-N 2.87Å; S1003-N1007 PolarHBondContact O-ND2 3.32Å; V1004-N1007 PolarHBondContact O-N 3.46Å; V1005-N1007 PolarHBondContact O-N 3.42Å; N1007-T1010 PolarHBondContact O-N 3.24Å; N1007-Q1011 WeakPolarHBondContact O-CG 3.26Å; N1007-Q1011 PolarHBondContact O-N 3.36Å |
| 1008 | I | 74.6 | Confident | 71 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.8 | -46.4 | 178.2 | -68.2 | 163.7 | 0 | 0 | 0 | 111.3 | V1004 V1005 Q1006 T1010 Q1011 L1012 Y1030 L1031 P1081 | V1004-I1008 HydrophobicContact CG1-CD1 3.88Å; V1004-I1008 WeakPolarHBondContact O-CD1 3.46Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.38Å; V1004-I1008 PolarHBondContact O-N 3.45Å; V1004-I1008 VanDerWaalsContact O-N 3.16Å; V1005-I1008 PolarHBondContact O-N 3.46Å; Q1006-I1008 PolarHBondContact O-N 2.66Å; I1008-T1010 VanDerWaalsContact C-N 3.26Å; I1008-T1010 PolarHBondContact O-N 3.41Å; I1008-Q1011 PolarHBondContact O-N 3.24Å; I1008-L1012 HydrophobicContact CG2-CD1 3.64Å; I1008-L1012 HydrophobicContact CG2-CG 4.22Å; I1008-L1012 VanDerWaalsContact O-CB 3.32Å; I1008-L1012 WeakPolarHBondContact O-CB 3.37Å; I1008-L1012 VanDerWaalsContact O-CG 3.31Å; I1008-L1012 WeakPolarHBondContact O-CG 3.42Å; I1008-L1012 PolarHBondContact O-N 2.93Å; I1008-Y1030 HydrophobicContact CG1-CD1 4.38Å; I1008-Y1030 HydrophobicContact CG1-CG 4.45Å; I1008-Y1030 HydrophobicContact CG2-CD2 4.42Å; I1008-Y1030 HydrophobicContact CG2-CG 4.17Å; I1008-L1031 HydrophobicContact CD1-CD2 3.37Å; I1008-L1031 HydrophobicContact CD1-CG 3.95Å; I1008-P1081 HydrophobicContact CD1-CG 4.24Å; I1008-P1081 HydrophobicContact CG1-CG 3.89Å |
| 1009 | L | 79.4 | Confident | 70.5 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -29.8 | 177.2 | -70.6 | 177.3 | 0 | 0 | 0 | 112.6 | L959 V971 L972 L975 V1005 Q1006 S1013 L1016 L1023 | L959-L1009 HydrophobicContact CD2-CD1 4.4Å; V971-L1009 HydrophobicContact CG1-CD1 4.07Å; L972-L1009 HydrophobicContact CD2-CB 3.84Å; L975-L1009 HydrophobicContact CD1-CD1 4.03Å; V1005-L1009 HydrophobicContact CG1-CD1 3.78Å; V1005-L1009 HydrophobicContact CG1-CG 4.17Å; V1005-L1009 WeakPolarHBondContact O-CB 3.46Å; V1005-L1009 WeakPolarHBondContact O-CG 3.32Å; V1005-L1009 PolarHBondContact O-N 3.21Å; Q1006-L1009 PolarHBondContact O-N 2.94Å; L1009-S1013 PolarHBondContact O-N 3.49Å; L1009-L1016 HydrophobicContact CD2-CD1 3.88Å; L1009-L1023 HydrophobicContact CD2-CD1 4.45Å |
| 1010 | T | 72.4 | Confident | 70.2 | Confident | 68 Ų | 68 | 49.2 Ų | 49.2 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.5 | -45.8 | 173.9 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | Q1006 N1007 I1008 S1013 | Q1006-T1010 WeakPolarHBondContact O-CB 3.41Å; Q1006-T1010 PolarHBondContact O-N 3.42Å; Q1006-T1010 PolarHBondContact O-OG1 2.9Å; N1007-T1010 PolarHBondContact O-N 3.24Å; I1008-T1010 VanDerWaalsContact C-N 3.26Å; I1008-T1010 PolarHBondContact O-N 3.41Å; T1010-S1013 WeakPolarHBondContact O-CB 3.49Å; T1010-S1013 PolarHBondContact O-N 2.8Å; T1010-S1013 PolarHBondContact O-OG 2.83Å |
| 1011 | Q | 67.2 | Low | 70 | Confident | 109 Ų | 109 | 46 Ų | 46 | 51% | 0.509 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 174 | -71.7 | 175.6 | -12.2 | 0 | 0 | 112.1 | N1007 I1008 S1013 | N1007-Q1011 WeakPolarHBondContact O-CG 3.26Å; N1007-Q1011 PolarHBondContact O-N 3.36Å; I1008-Q1011 PolarHBondContact O-N 3.24Å; Q1011-S1013 VanDerWaalsContact C-N 3.29Å; Q1011-S1013 PolarHBondContact O-N 3.2Å |
| 1012 | L | 72 | Confident | 69.8 | Low | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -76.9 | -8.8 | -178.7 | -70.2 | 179.2 | 0 | 0 | 0 | 114.6 | I1008 R1014 C1015 L1016 E1026 Y1030 | I1008-L1012 HydrophobicContact CG2-CD1 3.64Å; I1008-L1012 HydrophobicContact CG2-CG 4.22Å; I1008-L1012 VanDerWaalsContact O-CB 3.32Å; I1008-L1012 WeakPolarHBondContact O-CB 3.37Å; I1008-L1012 VanDerWaalsContact O-CG 3.31Å; I1008-L1012 WeakPolarHBondContact O-CG 3.42Å; I1008-L1012 PolarHBondContact O-N 2.93Å; L1012-R1014 VanDerWaalsContact C-N 3.31Å; L1012-R1014 PolarHBondContact O-N 2.78Å; L1012-R1014 VanDerWaalsContact O-N 3.16Å; L1012-C1015 WeakPolarHBondContact O-CA 3.33Å; L1012-C1015 WeakPolarHBondContact O-CB 3.34Å; L1012-C1015 PolarHBondContact O-N 3.22Å; L1012-L1016 HydrophobicContact CB-CD1 3.63Å; L1012-L1016 HydrophobicContact CB-CG 3.96Å; L1012-L1016 HydrophobicContact CD1-CD1 4.26Å; L1012-L1016 WeakPolarHBondContact O-CG 3.33Å; L1012-L1016 PolarHBondContact O-N 3.05Å; L1012-E1026 HydrophobicContact CD1-CB 3.71Å; L1012-E1026 HydrophobicContact CD2-CB 3.87Å; L1012-E1026 HydrophobicContact CD2-CG 3.94Å; L1012-E1026 WeakPolarHBondContact CD2-OE2 3.32Å; L1012-E1026 HydrophobicContact CG-CB 4.47Å; L1012-Y1030 HydrophobicContact CD1-CD2 4.48Å; L1012-Y1030 HydrophobicContact CD2-CD2 4.38Å; L1012-Y1030 HydrophobicContact CD2-CE2 3.78Å; L1012-Y1030 HydrophobicContact CG-CE2 4.33Å |
| 1013 | S | 70.2 | Confident | 69.9 | Low | 39 Ų | 39 | 45.1 Ų | 45.1 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -46.2 | -48.8 | -174.3 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | L1009 T1010 Q1011 C1015 Y1017 | L1009-S1013 PolarHBondContact O-N 3.49Å; T1010-S1013 WeakPolarHBondContact O-CB 3.49Å; T1010-S1013 PolarHBondContact O-N 2.8Å; T1010-S1013 PolarHBondContact O-OG 2.83Å; Q1011-S1013 VanDerWaalsContact C-N 3.29Å; Q1011-S1013 PolarHBondContact O-N 3.2Å; S1013-C1015 PolarHBondContact O-N 3.47Å; S1013-Y1017 VanDerWaalsContact O-CB 3.3Å; S1013-Y1017 WeakPolarHBondContact O-CB 3.02Å; S1013-Y1017 PolarHBondContact O-N 3.41Å |
| 1014 | R | 63.6 | Low | 70.2 | Confident | 211 Ų | 211 | 43.1 Ų | 43.1 | 80% | 0.796 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.3 | -30.2 | 178.7 | -67.5 | -179.1 | 174.5 | 178.1 | -2.8 | 114.2 | L1012 N1018 | L1012-R1014 VanDerWaalsContact C-N 3.31Å; L1012-R1014 PolarHBondContact O-N 2.78Å; L1012-R1014 VanDerWaalsContact O-N 3.16Å; R1014-N1018 PolarHBondContact O-ND2 2.94Å |
| 1015 | C | 64.5 | Low | 70.2 | Confident | 26 Ų | 26 | 42.8 Ų | 42.8 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.9 | -48.7 | 176 | -177.6 | 0 | 0 | 0 | 0 | 110.5 | L1012 S1013 Y1017 N1018 N1019 | L1012-C1015 WeakPolarHBondContact O-CA 3.33Å; L1012-C1015 WeakPolarHBondContact O-CB 3.34Å; L1012-C1015 PolarHBondContact O-N 3.22Å; S1013-C1015 PolarHBondContact O-N 3.47Å; C1015-Y1017 PolarHBondContact O-N 3.45Å; C1015-N1018 PolarHBondContact O-N 2.76Å; C1015-N1019 PolarHBondContact O-N 3.12Å |
| 1016 | L | 69.5 | Low | 70 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.5 | -27.5 | -175.1 | -64.2 | 174.8 | 0 | 0 | 0 | 114.1 | V968 L1009 L1012 N1018 L1023 | V968-L1016 HydrophobicContact CG2-CB 4.2Å; L1009-L1016 HydrophobicContact CD2-CD1 3.88Å; L1012-L1016 HydrophobicContact CB-CD1 3.63Å; L1012-L1016 HydrophobicContact CB-CG 3.96Å; L1012-L1016 HydrophobicContact CD1-CD1 4.26Å; L1012-L1016 WeakPolarHBondContact O-CG 3.33Å; L1012-L1016 PolarHBondContact O-N 3.05Å; L1016-N1018 PolarHBondContact O-N 3.13Å; L1016-L1023 HydrophobicContact CD1-CD1 3.65Å; L1016-L1023 HydrophobicContact CD2-CB 3.88Å; L1016-L1023 HydrophobicContact CD2-CD1 3.65Å; L1016-L1023 HydrophobicContact CD2-CG 4.39Å; L1016-L1023 HydrophobicContact CG-CD1 4.31Å |
| 1017 | Y | 63.6 | Low | 70 | Confident | 141 Ų | 141 | 41.7 Ų | 41.7 | 55% | 0.553 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -34.2 | 171.6 | -174.5 | -94.7 | 0 | 0 | 0 | 112.1 | S1013 C1015 | S1013-Y1017 VanDerWaalsContact O-CB 3.3Å; S1013-Y1017 WeakPolarHBondContact O-CB 3.02Å; S1013-Y1017 PolarHBondContact O-N 3.41Å; C1015-Y1017 PolarHBondContact O-N 3.45Å |
| 1018 | N | 56.4 | Low | 70.2 | Confident | 55 Ų | 55 | 38.2 Ų | 38.2 | 29% | 0.294 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -45.6 | -177.8 | -72.7 | -27.5 | 0 | 0 | 0 | 112.6 | Q433 R1014 C1015 L1016 | Q433-N1018 VanDerWaalsContact NE2-CG 3.3Å; Q433-N1018 PolarHBondContact NE2-ND2 3.25Å; Q433-N1018 VanDerWaalsContact OE1-CB 3.31Å; R1014-N1018 PolarHBondContact O-ND2 2.94Å; C1015-N1018 PolarHBondContact O-N 2.76Å; L1016-N1018 PolarHBondContact O-N 3.13Å |
| 1019 | N | 62.1 | Low | 69.9 | Low | 48 Ų | 48 | 38 Ų | 38 | 26% | 0.257 | 18% | 0.184 | S | C | . | . | trans | -129.1 | 73.9 | -171.2 | -61.3 | -71.9 | 0 | 0 | 0 | 111.7 | C1015 D1021 C1022 F1966 | C1015-N1019 PolarHBondContact O-N 3.12Å; N1019-D1021 PolarHBondContact O-N 3.5Å; N1019-D1021 VanDerWaalsContact O-N 3.13Å; N1019-C1022 HydrophobicContact CB-CB 4.44Å; N1019-C1022 WeakPolarHBondContact O-CB 3.15Å; N1019-C1022 PolarHBondContact O-N 3.05Å; N1019-C1022 VanDerWaalsContact O-N 3.08Å; N1019-F1966 HydrophobicContact CB-CE2 4.44Å; N1019-F1966 HydrophobicContact CB-CZ 4.3Å; N1019-F1966 WeakPolarHBondContact OD1-CZ 3.15Å | ||
| 1020 | P | 66.2 | Low | 69.5 | Low | 12 Ų | 12 | 38.6 Ų | 38.6 | 8% | 0.078 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -63.3 | -18.5 | 179.3 | 26.3 | -35.5 | 0 | 0 | 0 | 113.5 | Y960 I963 Y964 C1022 L1023 | Y960-P1020 HydrophobicContact CE2-CB 4.2Å; I963-P1020 HydrophobicContact CG2-CB 4.23Å; Y964-P1020 HydrophobicContact CD2-CG 4Å; Y964-P1020 HydrophobicContact CE2-CG 4.42Å; P1020-C1022 VanDerWaalsContact C-N 3.28Å; P1020-C1022 PolarHBondContact O-N 3.36Å; P1020-L1023 WeakPolarHBondContact O-CB 3.25Å; P1020-L1023 PolarHBondContact O-N 2.99Å |
| 1021 | D | 65.1 | Low | 69.4 | Low | 51 Ų | 51 | 35.4 Ų | 35.4 | 27% | 0.273 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -72.1 | -16.4 | 174.8 | -72 | -52 | 0 | 0 | 0 | 113.8 | Y960 N1019 L1023 P1024 | Y960-D1021 PolarHBondContact OH-OD1 3.42Å; N1019-D1021 PolarHBondContact O-N 3.5Å; N1019-D1021 VanDerWaalsContact O-N 3.13Å; D1021-L1023 VanDerWaalsContact C-N 3.31Å; D1021-P1024 WeakPolarHBondContact O-CD 3.46Å |
| 1022 | C | 69.1 | Low | 69.4 | Low | 10 Ų | 10 | 32.3 Ų | 32.3 | 7% | 0.068 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -77.9 | -15.1 | 174.2 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | N1019 P1020 P1024 T1025 E1026 | N1019-C1022 HydrophobicContact CB-CB 4.44Å; N1019-C1022 WeakPolarHBondContact O-CB 3.15Å; N1019-C1022 PolarHBondContact O-N 3.05Å; N1019-C1022 VanDerWaalsContact O-N 3.08Å; P1020-C1022 VanDerWaalsContact C-N 3.28Å; P1020-C1022 PolarHBondContact O-N 3.36Å; C1022-P1024 VanDerWaalsContact C-CD 3.44Å; C1022-T1025 PolarHBondContact O-N 3.24Å; C1022-E1026 HydrophobicContact CB-CG 4.37Å; C1022-E1026 PolarHBondContact O-N 3.24Å; C1022-E1026 VanDerWaalsContact O-N 3.1Å |
| 1023 | L | 78.8 | Confident | 68.7 | Low | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -42.2 | -50.5 | -176.9 | -174.4 | 70.2 | 0 | 0 | 0 | 115 | F956 Y960 I963 L1009 L1016 P1020 D1021 T1025 I1027 | F956-L1023 HydrophobicContact CD2-CD2 4.24Å; F956-L1023 HydrophobicContact CE2-CB 4.41Å; F956-L1023 HydrophobicContact CE2-CD2 3.8Å; F956-L1023 HydrophobicContact CE2-CG 4.09Å; Y960-L1023 HydrophobicContact CD2-CD2 4.41Å; I963-L1023 HydrophobicContact CD1-CD1 4.27Å; I963-L1023 HydrophobicContact CD1-CD2 4.41Å; L1009-L1023 HydrophobicContact CD2-CD1 4.45Å; L1016-L1023 HydrophobicContact CD1-CD1 3.65Å; L1016-L1023 HydrophobicContact CD2-CB 3.88Å; L1016-L1023 HydrophobicContact CD2-CD1 3.65Å; L1016-L1023 HydrophobicContact CD2-CG 4.39Å; L1016-L1023 HydrophobicContact CG-CD1 4.31Å; P1020-L1023 WeakPolarHBondContact O-CB 3.25Å; P1020-L1023 PolarHBondContact O-N 2.99Å; D1021-L1023 VanDerWaalsContact C-N 3.31Å; L1023-T1025 PolarHBondContact O-N 2.92Å; L1023-I1027 HydrophobicContact CD1-CD1 3.67Å; L1023-I1027 HydrophobicContact CD1-CG1 4.16Å; L1023-I1027 HydrophobicContact CG-CD1 3.82Å; L1023-I1027 HydrophobicContact CG-CG1 4.49Å; L1023-I1027 WeakPolarHBondContact O-CB 3.21Å; L1023-I1027 VanDerWaalsContact O-CG1 3.23Å; L1023-I1027 WeakPolarHBondContact O-CG1 3.18Å; L1023-I1027 PolarHBondContact O-N 3.48Å |
| 1024 | P | 77.2 | Confident | 68.3 | Low | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -72.4 | -27.9 | -176.6 | 31.4 | -36.2 | 0 | 0 | 0 | 113.3 | F956 D1021 C1022 V1028 C1061 E1064 I1065 | F956-P1024 HydrophobicContact CE2-CB 3.79Å; F956-P1024 HydrophobicContact CE2-CG 4.19Å; F956-P1024 HydrophobicContact CZ-CB 4.17Å; F956-P1024 HydrophobicContact CZ-CG 4.19Å; D1021-P1024 WeakPolarHBondContact O-CD 3.46Å; C1022-P1024 VanDerWaalsContact C-CD 3.44Å; P1024-V1028 VanDerWaalsContact O-CG2 3.28Å; P1024-V1028 WeakPolarHBondContact O-CG2 3.49Å; P1024-V1028 PolarHBondContact O-N 2.88Å; P1024-C1061 HydrophobicContact CB-CB 3.89Å; P1024-E1064 HydrophobicContact CB-CB 4.23Å; P1024-E1064 HydrophobicContact CG-CB 4.47Å; P1024-I1065 HydrophobicContact CB-CG1 4.03Å; P1024-I1065 HydrophobicContact CG-CG1 4.38Å |
| 1025 | T | 73.1 | Confident | 68.2 | Low | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.012 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -74.8 | -45.1 | 176 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | C1022 L1023 V1028 G1029 S1069 I1967 | C1022-T1025 PolarHBondContact O-N 3.24Å; L1023-T1025 PolarHBondContact O-N 2.92Å; T1025-V1028 PolarHBondContact O-N 3.45Å; T1025-G1029 PolarHBondContact O-N 3.19Å; T1025-G1029 VanDerWaalsContact O-N 3.13Å; T1025-S1069 VanDerWaalsContact OG1-CB 3.22Å; T1025-S1069 WeakPolarHBondContact OG1-CB 3.41Å; T1025-S1069 PolarHBondContact OG1-OG 3.29Å; T1025-I1967 HydrophobicContact CG2-CD1 3.55Å; T1025-I1967 HydrophobicContact CG2-CG1 4.18Å |
| 1026 | E | 76.3 | Confident | 67.6 | Low | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -50.5 | 176.2 | -64.8 | -59.9 | 140.5 | 0 | 0 | 111.3 | L1012 C1022 V1028 G1029 Y1030 Q1970 | L1012-E1026 HydrophobicContact CD1-CB 3.71Å; L1012-E1026 HydrophobicContact CD2-CB 3.87Å; L1012-E1026 HydrophobicContact CD2-CG 3.94Å; L1012-E1026 WeakPolarHBondContact CD2-OE2 3.32Å; L1012-E1026 HydrophobicContact CG-CB 4.47Å; C1022-E1026 HydrophobicContact CB-CG 4.37Å; C1022-E1026 PolarHBondContact O-N 3.24Å; C1022-E1026 VanDerWaalsContact O-N 3.1Å; E1026-V1028 VanDerWaalsContact C-N 3.26Å; E1026-V1028 PolarHBondContact O-N 2.87Å; E1026-G1029 PolarHBondContact O-N 3.36Å; E1026-G1029 VanDerWaalsContact O-N 3.09Å; E1026-Y1030 WeakPolarHBondContact O-CD2 3.4Å; E1026-Y1030 PolarHBondContact O-N 3.35Å; E1026-Y1030 VanDerWaalsContact O-N 3.08Å; E1026-Q1970 PolarHBondContact OE2-NE2 2.96Å |
| 1027 | I | 78.4 | Confident | 66.5 | Low | 6 Ų | 6 | 33 Ų | 33 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.1 | -41.1 | 179.8 | -72.4 | -179.4 | 0 | 0 | 0 | 111.3 | L1023 L1031 L1057 | L1023-I1027 HydrophobicContact CD1-CD1 3.67Å; L1023-I1027 HydrophobicContact CD1-CG1 4.16Å; L1023-I1027 HydrophobicContact CG-CD1 3.82Å; L1023-I1027 HydrophobicContact CG-CG1 4.49Å; L1023-I1027 WeakPolarHBondContact O-CB 3.21Å; L1023-I1027 VanDerWaalsContact O-CG1 3.23Å; L1023-I1027 WeakPolarHBondContact O-CG1 3.18Å; L1023-I1027 PolarHBondContact O-N 3.48Å; I1027-L1031 HydrophobicContact CG2-CD1 3.65Å; I1027-L1031 HydrophobicContact CG2-CG 4.24Å; I1027-L1031 VanDerWaalsContact O-CB 3.28Å; I1027-L1031 WeakPolarHBondContact O-CB 2.89Å; I1027-L1031 PolarHBondContact O-N 2.99Å; I1027-L1057 HydrophobicContact CG2-CD2 4.28Å; I1027-L1057 HydrophobicContact CG2-CG 4.25Å |
| 1028 | V | 75.3 | Confident | 65.6 | Low | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 176.5 | 167.4 | 0 | 0 | 0 | 0 | 111.5 | P1024 T1025 E1026 Y1030 L1031 I1032 V1058 C1061 I1065 P1073 | P1024-V1028 VanDerWaalsContact O-CG2 3.28Å; P1024-V1028 WeakPolarHBondContact O-CG2 3.49Å; P1024-V1028 PolarHBondContact O-N 2.88Å; T1025-V1028 PolarHBondContact O-N 3.45Å; E1026-V1028 VanDerWaalsContact C-N 3.26Å; E1026-V1028 PolarHBondContact O-N 2.87Å; V1028-Y1030 VanDerWaalsContact C-N 3.27Å; V1028-Y1030 PolarHBondContact O-N 3.42Å; V1028-L1031 PolarHBondContact O-N 3.25Å; V1028-I1032 WeakPolarHBondContact O-CB 3.19Å; V1028-I1032 PolarHBondContact O-N 3.37Å; V1028-I1032 VanDerWaalsContact O-N 3.07Å; V1028-V1058 HydrophobicContact CG2-CG1 4.41Å; V1028-C1061 HydrophobicContact CG2-CB 3.74Å; V1028-I1065 HydrophobicContact CB-CD1 4.19Å; V1028-I1065 HydrophobicContact CG2-CD1 3.84Å; V1028-P1073 HydrophobicContact CG1-CG 4.39Å |
| 1029 | G | 67.2 | Low | 64.8 | Low | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -28.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T1025 E1026 Y1077 | T1025-G1029 PolarHBondContact O-N 3.19Å; T1025-G1029 VanDerWaalsContact O-N 3.13Å; E1026-G1029 PolarHBondContact O-N 3.36Å; E1026-G1029 VanDerWaalsContact O-N 3.09Å; G1029-Y1077 PolarHBondContact O-N 3.12Å |
| 1030 | Y | 71 | Confident | 63.6 | Low | 15 Ų | 15 | 37.5 Ų | 37.5 | 6% | 0.059 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -87.7 | -44 | 173.8 | -78.2 | -85.3 | 0 | 0 | 0 | 114.1 | I1008 L1012 E1026 V1028 Y1077 T1080 Q1970 | I1008-Y1030 HydrophobicContact CG1-CD1 4.38Å; I1008-Y1030 HydrophobicContact CG1-CG 4.45Å; I1008-Y1030 HydrophobicContact CG2-CD2 4.42Å; I1008-Y1030 HydrophobicContact CG2-CG 4.17Å; L1012-Y1030 HydrophobicContact CD1-CD2 4.48Å; L1012-Y1030 HydrophobicContact CD2-CD2 4.38Å; L1012-Y1030 HydrophobicContact CD2-CE2 3.78Å; L1012-Y1030 HydrophobicContact CG-CE2 4.33Å; E1026-Y1030 WeakPolarHBondContact O-CD2 3.4Å; E1026-Y1030 PolarHBondContact O-N 3.35Å; E1026-Y1030 VanDerWaalsContact O-N 3.08Å; V1028-Y1030 VanDerWaalsContact C-N 3.27Å; V1028-Y1030 PolarHBondContact O-N 3.42Å; Y1030-Y1077 AromaticContact CD2-CD2 3.73Å; Y1030-Y1077 HydrophobicContact CD2-CD2 3.73Å; Y1030-Y1077 AromaticContact CD2-CE2 3.99Å; Y1030-Y1077 HydrophobicContact CD2-CE2 3.99Å; Y1030-Y1077 AromaticContact CE2-CD2 3.69Å; Y1030-Y1077 HydrophobicContact CE2-CD2 3.69Å; Y1030-Y1077 HydrophobicContact CE2-CE2 4.01Å; Y1030-Y1077 HydrophobicContact CG-CD2 4.25Å; Y1030-T1080 WeakPolarHBondContact O-CG2 3.46Å; Y1030-Q1970 PolarHBondContact OH-NE2 2.75Å; Y1030-Q1970 PolarHBondContact OH-OE1 3.13Å; Y1030-Q1970 VanDerWaalsContact OH-OE1 3.12Å |
| 1031 | L | 71.2 | Confident | 61.9 | Low | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -87.6 | -11.3 | -172.5 | -71.4 | -177.2 | 0 | 0 | 0 | 115.4 | V1004 I1008 I1027 V1028 R1033 F1034 I1054 L1057 V1058 | V1004-L1031 HydrophobicContact CG1-CD2 3.82Å; I1008-L1031 HydrophobicContact CD1-CD2 3.37Å; I1008-L1031 HydrophobicContact CD1-CG 3.95Å; I1027-L1031 HydrophobicContact CG2-CD1 3.65Å; I1027-L1031 HydrophobicContact CG2-CG 4.24Å; I1027-L1031 VanDerWaalsContact O-CB 3.28Å; I1027-L1031 WeakPolarHBondContact O-CB 2.89Å; I1027-L1031 PolarHBondContact O-N 2.99Å; V1028-L1031 PolarHBondContact O-N 3.25Å; L1031-R1033 PolarHBondContact O-N 3.01Å; L1031-F1034 HydrophobicContact CD2-CD2 4.12Å; L1031-F1034 PolarHBondContact O-N 3.37Å; L1031-I1054 HydrophobicContact CB-CG2 4.25Å; L1031-I1054 HydrophobicContact CD1-CG2 4.19Å; L1031-I1054 HydrophobicContact CD2-CD1 4.37Å; L1031-I1054 HydrophobicContact CD2-CG2 4.3Å; L1031-L1057 HydrophobicContact CD1-CD2 3.94Å; L1031-V1058 HydrophobicContact CB-CG2 3.62Å; L1031-V1058 HydrophobicContact CD1-CG2 4.17Å |
| 1032 | I | 66.2 | Low | 60.3 | Low | 44 Ų | 44 | 47.4 Ų | 47.4 | 23% | 0.226 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -50.8 | -38.1 | -177 | -169.3 | 164.4 | 0 | 0 | 0 | 113.3 | V1028 F1034 T1035 F1038 | V1028-I1032 WeakPolarHBondContact O-CB 3.19Å; V1028-I1032 PolarHBondContact O-N 3.37Å; V1028-I1032 VanDerWaalsContact O-N 3.07Å; I1032-F1034 PolarHBondContact O-N 3.36Å; I1032-T1035 PolarHBondContact O-N 3.14Å; I1032-T1035 PolarHBondContact O-OG1 3.02Å; I1032-F1038 HydrophobicContact CD1-CE2 4.35Å; I1032-F1038 HydrophobicContact CD1-CZ 4.4Å; I1032-F1038 HydrophobicContact CG1-CE2 3.66Å; I1032-F1038 HydrophobicContact CG1-CZ 4.07Å; I1032-F1038 VanDerWaalsContact O-CD2 3.3Å; I1032-F1038 WeakPolarHBondContact O-CD2 3.02Å |
| 1033 | R | 58.3 | Low | 58.7 | Low | 48 Ų | 48 | 57 Ų | 57 | 18% | 0.181 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -59.4 | -26.3 | 176.7 | -175 | -178.8 | 178.1 | 102.9 | -0.3 | 114.2 | L1031 P1081 G1082 N1569 | L1031-R1033 PolarHBondContact O-N 3.01Å; R1033-P1081 WeakPolarHBondContact CD-O 3.39Å; R1033-G1082 PolarHBondContact NE-O 2.9Å; R1033-G1082 PolarHBondContact NH2-O 2.91Å; R1033-N1569 PolarHBondContact NH1-OD1 2.9Å; R1033-N1569 PolarHBondContact NH2-OD1 3.28Å |
| 1034 | F | 61.6 | Low | 56.4 | Low | 27 Ų | 27 | 66.2 Ų | 66.2 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -97.2 | -6.2 | -174.8 | -69.1 | -83.3 | 0 | 0 | 0 | 113.9 | F1000 V1004 L1031 I1032 I1054 P1081 | F1000-F1034 HydrophobicContact CE1-CD1 4.45Å; F1000-F1034 HydrophobicContact CE1-CE1 4.29Å; F1000-F1034 HydrophobicContact CZ-CE1 4.08Å; V1004-F1034 HydrophobicContact CG1-CD2 4.16Å; V1004-F1034 HydrophobicContact CG1-CE1 4.33Å; V1004-F1034 HydrophobicContact CG1-CE2 3.84Å; V1004-F1034 HydrophobicContact CG1-CZ 3.92Å; V1004-F1034 HydrophobicContact CG2-CE1 4.07Å; V1004-F1034 HydrophobicContact CG2-CZ 4.14Å; L1031-F1034 HydrophobicContact CD2-CD2 4.12Å; L1031-F1034 PolarHBondContact O-N 3.37Å; I1032-F1034 PolarHBondContact O-N 3.36Å; F1034-I1054 HydrophobicContact CB-CD1 3.97Å; F1034-I1054 HydrophobicContact CB-CG2 3.88Å; F1034-I1054 HydrophobicContact CG-CD1 4.36Å; F1034-P1081 HydrophobicContact CE2-CB 4.03Å; F1034-P1081 WeakPolarHBondContact CE2-O 3.12Å; F1034-P1081 HydrophobicContact CZ-CB 3.96Å; F1034-P1081 VanDerWaalsContact CZ-O 3.26Å; F1034-P1081 WeakPolarHBondContact CZ-O 3.44Å |
| 1035 | T | 61.6 | Low | 54 | Low | 7 Ų | 7 | 75.2 Ų | 75.2 | 4% | 0.043 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -73.4 | 147.4 | -178.1 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | I1032 R1037 F1038 D1055 V1058 | I1032-T1035 PolarHBondContact O-N 3.14Å; I1032-T1035 PolarHBondContact O-OG1 3.02Å; T1035-R1037 PolarHBondContact O-N 2.92Å; T1035-R1037 VanDerWaalsContact O-N 3.08Å; T1035-F1038 PolarHBondContact O-N 3.2Å; T1035-F1038 WeakPolarHBondContact OG1-CD2 3.46Å; T1035-D1055 VanDerWaalsContact CA-OD1 3.32Å; T1035-D1055 WeakPolarHBondContact CA-OD1 3.32Å; T1035-D1055 VanDerWaalsContact CB-OD1 3.28Å; T1035-D1055 WeakPolarHBondContact CB-OD1 3.47Å; T1035-V1058 HydrophobicContact CG2-CB 3.92Å; T1035-V1058 HydrophobicContact CG2-CG1 3.87Å; T1035-V1058 HydrophobicContact CG2-CG2 3.83Å |
| 1036 | S | 50.8 | Low | 51.9 | Low | 59 Ų | 59 | 81.5 Ų | 81.5 | 41% | 0.413 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.4 | -22.2 | -178.1 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | F1038 I1039 N1040 D1055 | S1036-F1038 PolarHBondContact O-N 3.39Å; S1036-F1038 VanDerWaalsContact O-N 3.16Å; S1036-I1039 PolarHBondContact O-N 3.02Å; S1036-I1039 VanDerWaalsContact O-N 3.12Å; S1036-N1040 PolarHBondContact O-N 3.36Å; S1036-D1055 WeakPolarHBondContact CB-OD2 3.3Å; S1036-D1055 PolarHBondContact N-OD1 2.85Å; S1036-D1055 PolarHBondContact N-OD2 3.34Å; S1036-D1055 PolarHBondContact OG-OD1 3.44Å; S1036-D1055 PolarHBondContact OG-OD2 3.39Å |
| 1037 | R | 47.7 | Very low | 49.8 | Very low | 155 Ų | 155 | 84 Ų | 84 | 59% | 0.585 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -52.3 | -28.6 | 168.8 | -86.1 | 179.5 | 168.4 | 152.7 | -4.8 | 113.3 | T1035 E1062 | T1035-R1037 PolarHBondContact O-N 2.92Å; T1035-R1037 VanDerWaalsContact O-N 3.08Å; R1037-E1062 IonicContact NH1-OE1 3.93Å; R1037-E1062 PolarHBondContact NH1-OE1 3.33Å; R1037-E1062 IonicContact NH1-OE2 3.99Å |
| 1038 | F | 42.9 | Very low | 47.8 | Very low | 127 Ų | 127 | 90 Ų | 90 | 56% | 0.557 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -102.6 | -9.8 | 179.5 | -71.5 | -92.9 | 0 | 0 | 0 | 114.3 | I1032 T1035 S1036 | I1032-F1038 HydrophobicContact CD1-CE2 4.35Å; I1032-F1038 HydrophobicContact CD1-CZ 4.4Å; I1032-F1038 HydrophobicContact CG1-CE2 3.66Å; I1032-F1038 HydrophobicContact CG1-CZ 4.07Å; I1032-F1038 VanDerWaalsContact O-CD2 3.3Å; I1032-F1038 WeakPolarHBondContact O-CD2 3.02Å; T1035-F1038 PolarHBondContact O-N 3.2Å; T1035-F1038 WeakPolarHBondContact OG1-CD2 3.46Å; S1036-F1038 PolarHBondContact O-N 3.39Å; S1036-F1038 VanDerWaalsContact O-N 3.16Å |
| 1039 | I | 41.3 | Very low | 46.1 | Very low | 89 Ų | 89 | 99 Ų | 99 | 46% | 0.456 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -112.6 | -34.1 | -164.4 | -62.9 | -179.8 | 0 | 0 | 0 | 114.1 | S1036 | S1036-I1039 PolarHBondContact O-N 3.02Å; S1036-I1039 VanDerWaalsContact O-N 3.12Å |
| 1040 | N | 36.7 | Very low | 45.4 | Very low | 123 Ų | 123 | 106.6 Ų | 106.6 | 66% | 0.658 | 55% | 0.546 | S | S | * | . | trans | -151.9 | 105.1 | -175.1 | -96.3 | -58.8 | 0 | 0 | 0 | 116.4 | S1036 | S1036-N1040 PolarHBondContact O-N 3.36Š| ||
| 1041 | F | 30.1 | Very low | 44.8 | Very low | 220 Ų | 220 | 111.3 Ų | 111.3 | 97% | 0.965 | 57% | 0.571 | S | S | * | * | trans | -111.8 | 67.8 | 154.2 | -97.9 | -82.7 | 0 | 0 | 0 | 109 | ||||
| 1042 | G | 31 | Very low | 44.6 | Very low | 52 Ų | 52 | 112.6 Ų | 112.6 | 54% | 0.536 | 58% | 0.58 | S | S | . | * | trans | -126.5 | -21.1 | -158.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1043 | K | 36.2 | Very low | 44.8 | Very low | 210 Ų | 210 | 111 Ų | 111 | 91% | 0.913 | 57% | 0.572 | S | S | * | * | trans | -171.5 | 152 | 170.5 | -107.6 | 144.5 | -170.3 | 173.2 | 0 | 112.5 | ||||
| 1044 | Q | 29.6 | Very low | 45.6 | Very low | 196 Ų | 196 | 108.9 Ų | 108.9 | 92% | 0.916 | 56% | 0.564 | S | S | * | * | trans | -76.5 | 124.7 | 174.8 | -65.6 | 168.1 | -22.7 | 0 | 0 | 110.6 | ||||
| 1045 | M | 27.8 | Very low | 46.2 | Very low | 189 Ų | 189 | 108 Ų | 108 | 93% | 0.931 | 56% | 0.56 | S | S | * | * | trans | -136.7 | 128.9 | 156.9 | -81.3 | -157.6 | 170 | 0 | 0 | 110.3 | G1047 | M1045-G1047 PolarHBondContact O-N 3.09Š| ||
| 1046 | S | 29 | Very low | 46.9 | Very low | 134 Ų | 134 | 110 Ų | 110 | 94% | 0.937 | 57% | 0.57 | S | S | * | * | trans | -89.9 | 96.3 | -174.6 | 41.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1047 | G | 31.9 | Very low | 48.4 | Very low | 54 Ų | 54 | 107.2 Ų | 107.2 | 56% | 0.557 | 55% | 0.551 | S | S | * | * | trans | 178.2 | 137.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M1045 K1049 | M1045-G1047 PolarHBondContact O-N 3.09Å; G1047-K1049 PolarHBondContact O-N 2.93Å | ||
| 1048 | P | 35.8 | Very low | 49.8 | Very low | 131 Ų | 131 | 100.1 Ų | 100.1 | 85% | 0.851 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -81.4 | 47.4 | -176.4 | 35.9 | -38 | 0 | 0 | 0 | 112.4 | ||
| 1049 | K | 40.7 | Very low | 51.3 | Low | 195 Ų | 195 | 98.7 Ų | 98.7 | 85% | 0.848 | 52% | 0.519 | S | S | * | . | trans | -131.4 | 3.6 | -160.5 | -83.9 | -161.5 | 170.9 | -167.9 | 0 | 118.7 | G1047 | G1047-K1049 PolarHBondContact O-N 2.93Š| ||
| 1050 | K | 52 | Low | 53.1 | Low | 161 Ų | 161 | 97 Ų | 97 | 70% | 0.7 | 51% | 0.509 | S | S | * | . | trans | -136.8 | 95.7 | 163.9 | -74.4 | -162.6 | 175.6 | -168.5 | 0 | 109.7 | E993 | E993-K1050 IonicContact OE2-NZ 2.7Å; E993-K1050 PolarHBondContact OE2-NZ 3.38Å | ||
| 1051 | I | 57.7 | Low | 55 | Low | 115 Ų | 115 | 91.2 Ų | 91.2 | 59% | 0.59 | 48% | 0.478 | S | S | * | . | trans | -112.9 | 133.8 | 165.8 | -57.4 | 175.3 | 0 | 0 | 0 | 105.1 | D1055 | I1051-D1055 HydrophobicContact CG2-CB 4.03Š| ||
| 1052 | S | 67 | Low | 56.9 | Low | 28 Ų | 28 | 84.4 Ų | 84.4 | 20% | 0.196 | 45% | 0.449 | C | S | . | . | trans | -66.6 | 148.9 | 175.1 | 68.6 | 0 | 0 | 0 | 0 | 110.5 | E1001 I1054 D1055 L1056 | E1001-S1052 WeakPolarHBondContact OE1-CB 3.4Å; S1052-I1054 PolarHBondContact O-N 3.42Å; S1052-D1055 PolarHBondContact O-N 3.26Å; S1052-D1055 VanDerWaalsContact OG-CB 3.23Å; S1052-D1055 WeakPolarHBondContact OG-CB 3.42Å; S1052-D1055 PolarHBondContact OG-N 2.91Å; S1052-D1055 PolarHBondContact OG-OD2 3.36Å; S1052-L1056 PolarHBondContact O-N 2.92Å | ||
| 1053 | L | 70.2 | Confident | 58.9 | Low | 11 Ų | 11 | 87.6 Ų | 87.6 | 6% | 0.058 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -70.8 | -27.3 | 177.4 | -51.1 | 174.4 | 0 | 0 | 0 | 110 | F954 V998 E1001 L1056 L1057 | F954-L1053 HydrophobicContact CB-CB 3.8Å; F954-L1053 VanDerWaalsContact CD1-C 3.48Å; F954-L1053 HydrophobicContact CD1-CB 3.43Å; F954-L1053 VanDerWaalsContact CD1-CB 3.43Å; F954-L1053 WeakPolarHBondContact CD1-O 3.49Å; F954-L1053 HydrophobicContact CD2-CB 3.7Å; F954-L1053 HydrophobicContact CD2-CD1 3.63Å; F954-L1053 HydrophobicContact CD2-CG 4.29Å; F954-L1053 HydrophobicContact CE1-CB 3.84Å; F954-L1053 HydrophobicContact CE2-CB 4.1Å; F954-L1053 HydrophobicContact CE2-CD1 3.82Å; F954-L1053 HydrophobicContact CG-CB 3.35Å; F954-L1053 HydrophobicContact CG-CD1 4.18Å; F954-L1053 HydrophobicContact CG-CG 4.35Å; F954-L1053 HydrophobicContact CZ-CB 4.16Å; F954-L1053 HydrophobicContact CZ-CD1 4.48Å; V998-L1053 HydrophobicContact CG2-CD1 4.33Å; E1001-L1053 WeakPolarHBondContact OE2-CA 3.35Å; E1001-L1053 WeakPolarHBondContact OE2-CB 3.49Å; E1001-L1053 PolarHBondContact OE2-N 3.31Å; L1053-L1056 WeakPolarHBondContact O-CB 3.43Å; L1053-L1056 PolarHBondContact O-N 3.27Å; L1053-L1057 PolarHBondContact O-N 2.97Å |
| 1054 | I | 75.3 | Confident | 60.5 | Low | 3 Ų | 3 | 78.7 Ų | 78.7 | 2% | 0.015 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 168.3 | -67.1 | 176.6 | 0 | 0 | 0 | 112.2 | F954 E1001 V1004 L1031 F1034 S1052 L1056 L1057 V1058 | F954-I1054 HydrophobicContact CE1-CG1 4.05Å; E1001-I1054 HydrophobicContact CB-CD1 4.15Å; E1001-I1054 HydrophobicContact CB-CG1 4.25Å; E1001-I1054 HydrophobicContact CG-CD1 3.86Å; E1001-I1054 HydrophobicContact CG-CG1 4.14Å; E1001-I1054 PolarHBondContact OE2-N 3.11Å; V1004-I1054 HydrophobicContact CG1-CD1 4.48Å; L1031-I1054 HydrophobicContact CB-CG2 4.25Å; L1031-I1054 HydrophobicContact CD1-CG2 4.19Å; L1031-I1054 HydrophobicContact CD2-CD1 4.37Å; L1031-I1054 HydrophobicContact CD2-CG2 4.3Å; F1034-I1054 HydrophobicContact CB-CD1 3.97Å; F1034-I1054 HydrophobicContact CB-CG2 3.88Å; F1034-I1054 HydrophobicContact CG-CD1 4.36Å; S1052-I1054 PolarHBondContact O-N 3.42Å; I1054-L1056 PolarHBondContact O-N 2.99Å; I1054-L1057 PolarHBondContact O-N 3.49Å; I1054-V1058 HydrophobicContact CG2-CG2 4.25Å; I1054-V1058 WeakPolarHBondContact O-CG2 3.12Å; I1054-V1058 PolarHBondContact O-N 2.89Å |
| 1055 | D | 74 | Confident | 62.2 | Low | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.043 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.3 | -31.9 | 176.5 | -78 | -52.2 | 0 | 0 | 0 | 112.4 | T1035 S1036 I1051 S1052 K1059 | T1035-D1055 VanDerWaalsContact CA-OD1 3.32Å; T1035-D1055 WeakPolarHBondContact CA-OD1 3.32Å; T1035-D1055 VanDerWaalsContact CB-OD1 3.28Å; T1035-D1055 WeakPolarHBondContact CB-OD1 3.47Å; S1036-D1055 WeakPolarHBondContact CB-OD2 3.3Å; S1036-D1055 PolarHBondContact N-OD1 2.85Å; S1036-D1055 PolarHBondContact N-OD2 3.34Å; S1036-D1055 PolarHBondContact OG-OD1 3.44Å; S1036-D1055 PolarHBondContact OG-OD2 3.39Å; I1051-D1055 HydrophobicContact CG2-CB 4.03Å; S1052-D1055 PolarHBondContact O-N 3.26Å; S1052-D1055 VanDerWaalsContact OG-CB 3.23Å; S1052-D1055 WeakPolarHBondContact OG-CB 3.42Å; S1052-D1055 PolarHBondContact OG-N 2.91Å; S1052-D1055 PolarHBondContact OG-OD2 3.36Å; D1055-K1059 WeakPolarHBondContact O-CB 3.24Å; D1055-K1059 VanDerWaalsContact O-CD 3.3Å; D1055-K1059 WeakPolarHBondContact O-CD 3.49Å; D1055-K1059 VanDerWaalsContact O-CG 3.22Å; D1055-K1059 WeakPolarHBondContact O-CG 2.96Å; D1055-K1059 PolarHBondContact O-N 2.82Å |
| 1056 | L | 77.2 | Confident | 63.7 | Low | 49 Ų | 49 | 63.2 Ų | 63.2 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.7 | -48.8 | 176 | -176.2 | 69.8 | 0 | 0 | 0 | 110.5 | Y950 S1052 L1053 I1054 K1059 Q1060 | Y950-L1056 HydrophobicContact CD2-CD2 3.89Å; Y950-L1056 HydrophobicContact CE2-CD2 3.6Å; S1052-L1056 PolarHBondContact O-N 2.92Å; L1053-L1056 WeakPolarHBondContact O-CB 3.43Å; L1053-L1056 PolarHBondContact O-N 3.27Å; I1054-L1056 PolarHBondContact O-N 2.99Å; L1056-K1059 PolarHBondContact O-N 3.49Å; L1056-Q1060 WeakPolarHBondContact O-CG 3.32Å; L1056-Q1060 PolarHBondContact O-N 3.45Å; L1056-Q1060 VanDerWaalsContact O-N 3.14Å |
| 1057 | L | 81.7 | Confident | 65.2 | Low | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.3 | -46.7 | 179 | -179 | 60.5 | 0 | 0 | 0 | 111.9 | F954 F956 L959 I1027 L1031 L1053 I1054 K1059 Q1060 C1061 | F954-L1057 HydrophobicContact CD1-CB 4.39Å; F954-L1057 HydrophobicContact CD1-CD2 4.29Å; F956-L1057 HydrophobicContact CB-CD1 4.28Å; L959-L1057 HydrophobicContact CD1-CD1 4.19Å; I1027-L1057 HydrophobicContact CG2-CD2 4.28Å; I1027-L1057 HydrophobicContact CG2-CG 4.25Å; L1031-L1057 HydrophobicContact CD1-CD2 3.94Å; L1053-L1057 PolarHBondContact O-N 2.97Å; I1054-L1057 PolarHBondContact O-N 3.49Å; L1057-K1059 VanDerWaalsContact C-N 3.34Å; L1057-K1059 PolarHBondContact O-N 2.99Å; L1057-Q1060 WeakPolarHBondContact O-CB 3.28Å; L1057-Q1060 PolarHBondContact O-N 3.46Å; L1057-Q1060 VanDerWaalsContact O-N 3.15Å; L1057-C1061 PolarHBondContact O-N 3.03Å; L1057-C1061 PolarHBondContact O-SG 2.89Å |
| 1058 | V | 77.1 | Confident | 66.5 | Low | 6 Ų | 6 | 64.9 Ų | 64.9 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.9 | -39 | 179.6 | 173.2 | 0 | 0 | 0 | 0 | 111.7 | V1028 L1031 T1035 I1054 Q1060 C1061 E1062 | V1028-V1058 HydrophobicContact CG2-CG1 4.41Å; L1031-V1058 HydrophobicContact CB-CG2 3.62Å; L1031-V1058 HydrophobicContact CD1-CG2 4.17Å; T1035-V1058 HydrophobicContact CG2-CB 3.92Å; T1035-V1058 HydrophobicContact CG2-CG1 3.87Å; T1035-V1058 HydrophobicContact CG2-CG2 3.83Å; I1054-V1058 HydrophobicContact CG2-CG2 4.25Å; I1054-V1058 WeakPolarHBondContact O-CG2 3.12Å; I1054-V1058 PolarHBondContact O-N 2.89Å; V1058-Q1060 PolarHBondContact O-N 3.13Å; V1058-C1061 PolarHBondContact O-N 3.13Å; V1058-E1062 HydrophobicContact CG1-CG 4.44Å; V1058-E1062 WeakPolarHBondContact O-CG 3.47Å; V1058-E1062 PolarHBondContact O-N 3.48Å |
| 1059 | K | 75.4 | Confident | 67.6 | Low | 97 Ų | 97 | 58.9 Ų | 58.9 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.5 | -34.5 | 174.8 | -74.2 | 168.2 | -170.9 | 158.9 | 0 | 113.1 | D1055 L1056 L1057 L1063 | D1055-K1059 WeakPolarHBondContact O-CB 3.24Å; D1055-K1059 VanDerWaalsContact O-CD 3.3Å; D1055-K1059 WeakPolarHBondContact O-CD 3.49Å; D1055-K1059 VanDerWaalsContact O-CG 3.22Å; D1055-K1059 WeakPolarHBondContact O-CG 2.96Å; D1055-K1059 PolarHBondContact O-N 2.82Å; L1056-K1059 PolarHBondContact O-N 3.49Å; L1057-K1059 VanDerWaalsContact C-N 3.34Å; L1057-K1059 PolarHBondContact O-N 2.99Å; K1059-L1063 WeakPolarHBondContact O-CG 3.49Å; K1059-L1063 PolarHBondContact O-N 3.16Å |
| 1060 | Q | 77.9 | Confident | 68.7 | Low | 55 Ų | 55 | 52.3 Ų | 52.3 | 26% | 0.257 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.6 | -43.2 | 171.6 | -69.5 | 172.3 | 22.6 | 0 | 0 | 110.4 | F956 L1056 L1057 V1058 L1063 E1064 | F956-Q1060 HydrophobicContact CB-CB 3.96Å; F956-Q1060 VanDerWaalsContact CB-OE1 3.32Å; L1056-Q1060 WeakPolarHBondContact O-CG 3.32Å; L1056-Q1060 PolarHBondContact O-N 3.45Å; L1056-Q1060 VanDerWaalsContact O-N 3.14Å; L1057-Q1060 WeakPolarHBondContact O-CB 3.28Å; L1057-Q1060 PolarHBondContact O-N 3.46Å; L1057-Q1060 VanDerWaalsContact O-N 3.15Å; V1058-Q1060 PolarHBondContact O-N 3.13Å; Q1060-L1063 PolarHBondContact O-N 3.25Å; Q1060-E1064 WeakPolarHBondContact O-CG 3.48Å; Q1060-E1064 PolarHBondContact O-N 3.39Å |
| 1061 | C | 76.6 | Confident | 69.4 | Low | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -43.6 | 176.3 | -63.3 | 0 | 0 | 0 | 0 | 113 | P1024 V1028 L1057 V1058 L1063 E1064 I1065 | P1024-C1061 HydrophobicContact CB-CB 3.89Å; V1028-C1061 HydrophobicContact CG2-CB 3.74Å; L1057-C1061 PolarHBondContact O-N 3.03Å; L1057-C1061 PolarHBondContact O-SG 2.89Å; V1058-C1061 PolarHBondContact O-N 3.13Å; C1061-L1063 PolarHBondContact O-N 2.87Å; C1061-E1064 PolarHBondContact O-N 2.84Å; C1061-E1064 VanDerWaalsContact O-N 3.1Å; C1061-I1065 WeakPolarHBondContact O-CG1 3.28Å; C1061-I1065 PolarHBondContact O-N 3.2Å |
| 1062 | E | 71.8 | Confident | 69.8 | Low | 77 Ų | 77 | 42.9 Ų | 42.9 | 36% | 0.36 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -52.5 | -39.7 | 174.1 | -78 | -177.8 | 162.8 | 0 | 0 | 111.7 | R1037 V1058 | R1037-E1062 IonicContact NH1-OE1 3.93Å; R1037-E1062 PolarHBondContact NH1-OE1 3.33Å; R1037-E1062 IonicContact NH1-OE2 3.99Å; V1058-E1062 HydrophobicContact CG1-CG 4.44Å; V1058-E1062 WeakPolarHBondContact O-CG 3.47Å; V1058-E1062 PolarHBondContact O-N 3.48Å |
| 1063 | L | 71.7 | Confident | 69.8 | Low | 119 Ų | 119 | 42.1 Ų | 42.1 | 62% | 0.623 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -78 | -30.9 | 178.8 | -67.7 | 170.2 | 0 | 0 | 0 | 113.8 | K1059 Q1060 C1061 | K1059-L1063 WeakPolarHBondContact O-CG 3.49Å; K1059-L1063 PolarHBondContact O-N 3.16Å; Q1060-L1063 PolarHBondContact O-N 3.25Å; C1061-L1063 PolarHBondContact O-N 2.87Å |
| 1064 | E | 69.3 | Low | 69.4 | Low | 23 Ų | 23 | 44.7 Ų | 44.7 | 11% | 0.107 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -85.2 | -25.7 | -179.9 | -71.9 | -70 | 126.8 | 0 | 0 | 113.1 | F956 P1024 Q1060 C1061 V1066 K1067 R1068 | F956-E1064 HydrophobicContact CD1-CB 4.41Å; F956-E1064 HydrophobicContact CD1-CG 3.73Å; F956-E1064 HydrophobicContact CE1-CB 3.87Å; F956-E1064 HydrophobicContact CE1-CG 3.5Å; F956-E1064 HydrophobicContact CZ-CB 4Å; F956-E1064 HydrophobicContact CZ-CG 4.16Å; P1024-E1064 HydrophobicContact CB-CB 4.23Å; P1024-E1064 HydrophobicContact CG-CB 4.47Å; Q1060-E1064 WeakPolarHBondContact O-CG 3.48Å; Q1060-E1064 PolarHBondContact O-N 3.39Å; C1061-E1064 PolarHBondContact O-N 2.84Å; C1061-E1064 VanDerWaalsContact O-N 3.1Å; E1064-V1066 VanDerWaalsContact C-N 3.31Å; E1064-V1066 PolarHBondContact O-N 3.35Å; E1064-K1067 PolarHBondContact O-N 3.46Å; E1064-K1067 WeakPolarHBondContact OE1-CD 3.36Å; E1064-K1067 VanDerWaalsContact OE1-CE 3.3Å; E1064-K1067 WeakPolarHBondContact OE1-CE 3.34Å; E1064-K1067 IonicContact OE1-NZ 3.95Å; E1064-K1067 PolarHBondContact OE1-NZ 3Å; E1064-R1068 WeakPolarHBondContact O-CG 3.45Å; E1064-R1068 PolarHBondContact O-N 2.79Å; E1064-R1068 IonicContact OE2-CZ 2.77Å; E1064-R1068 IonicContact OE2-NE 3.66Å; E1064-R1068 PolarHBondContact OE2-NE 3.47Å; E1064-R1068 IonicContact OE2-NH2 3.85Å; E1064-R1068 PolarHBondContact OE2-NH2 2.86Å |
| 1065 | I | 65.4 | Low | 68.8 | Low | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -50.1 | -54.3 | 167 | -76 | 175.6 | 0 | 0 | 0 | 108.7 | P1024 V1028 C1061 K1067 R1068 S1069 L1072 | P1024-I1065 HydrophobicContact CB-CG1 4.03Å; P1024-I1065 HydrophobicContact CG-CG1 4.38Å; V1028-I1065 HydrophobicContact CB-CD1 4.19Å; V1028-I1065 HydrophobicContact CG2-CD1 3.84Å; C1061-I1065 WeakPolarHBondContact O-CG1 3.28Å; C1061-I1065 PolarHBondContact O-N 3.2Å; I1065-K1067 PolarHBondContact O-N 2.91Å; I1065-R1068 PolarHBondContact O-N 3.43Å; I1065-S1069 CarbonylContact C-O 3.49Å; I1065-S1069 WeakPolarHBondContact CG2-O 3.36Å; I1065-S1069 CarbonylContact O-C 3.4Å; I1065-S1069 PolarHBondContact O-N 3.08Å; I1065-L1072 HydrophobicContact CD1-CD1 4.01Å |
| 1066 | V | 59.9 | Low | 68.2 | Low | 48 Ų | 48 | 51.3 Ų | 51.3 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -54.3 | -23.6 | -178.6 | -163 | 0 | 0 | 0 | 0 | 113.9 | E1064 L2017 | E1064-V1066 VanDerWaalsContact C-N 3.31Å; E1064-V1066 PolarHBondContact O-N 3.35Å; V1066-L2017 HydrophobicContact CG2-CD1 3.61Å |
| 1067 | K | 61.1 | Low | 67.5 | Low | 148 Ų | 148 | 49.6 Ų | 49.6 | 64% | 0.643 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -94.5 | -25.3 | 178.9 | -55.2 | 179.2 | -164.9 | 170 | 0 | 113.8 | E1064 I1065 | E1064-K1067 PolarHBondContact O-N 3.46Å; E1064-K1067 WeakPolarHBondContact OE1-CD 3.36Å; E1064-K1067 VanDerWaalsContact OE1-CE 3.3Å; E1064-K1067 WeakPolarHBondContact OE1-CE 3.34Å; E1064-K1067 IonicContact OE1-NZ 3.95Å; E1064-K1067 PolarHBondContact OE1-NZ 3Å; I1065-K1067 PolarHBondContact O-N 2.91Å |
| 1068 | R | 59.8 | Low | 66.3 | Low | 76 Ų | 76 | 50.4 Ų | 50.4 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -123.9 | -28.3 | -166.9 | -55.7 | -176.2 | -165 | -138.1 | 2.5 | 114.8 | E1064 I1065 | E1064-R1068 WeakPolarHBondContact O-CG 3.45Å; E1064-R1068 PolarHBondContact O-N 2.79Å; E1064-R1068 IonicContact OE2-CZ 2.77Å; E1064-R1068 IonicContact OE2-NE 3.66Å; E1064-R1068 PolarHBondContact OE2-NE 3.47Å; E1064-R1068 IonicContact OE2-NH2 3.85Å; E1064-R1068 PolarHBondContact OE2-NH2 2.86Å; I1065-R1068 PolarHBondContact O-N 3.43Å |
| 1069 | S | 57.5 | Low | 65.2 | Low | 5 Ų | 5 | 55.6 Ų | 55.6 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | trans | -144.8 | 126.6 | -174.3 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | T1025 I1065 L1071 T1965 | T1025-S1069 VanDerWaalsContact OG1-CB 3.22Å; T1025-S1069 WeakPolarHBondContact OG1-CB 3.41Å; T1025-S1069 PolarHBondContact OG1-OG 3.29Å; I1065-S1069 CarbonylContact C-O 3.49Å; I1065-S1069 WeakPolarHBondContact CG2-O 3.36Å; I1065-S1069 CarbonylContact O-C 3.4Å; I1065-S1069 PolarHBondContact O-N 3.08Å; S1069-L1071 VanDerWaalsContact C-N 3.34Å; S1069-L1071 PolarHBondContact O-N 3.21Å; S1069-T1965 WeakPolarHBondContact CA-OG1 3.41Å; S1069-T1965 PolarHBondContact OG-OG1 2.98Å | ||
| 1070 | H | 64.2 | Low | 64.2 | Low | 56 Ų | 56 | 51.4 Ų | 51.4 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | trans | -92.9 | 10.5 | -176.8 | -62 | 61.7 | 0 | 0 | 0 | 113.6 | V1964 T1965 | H1070-V1964 HydrophobicContact CB-CG1 4.39Å; H1070-V1964 PolarHBondContact ND1-O 3.04Å; H1070-T1965 HydrophobicContact CB-CG2 3.73Å; H1070-T1965 PolarHBondContact N-OG1 3.14Å; H1070-T1965 VanDerWaalsContact N-OG1 3.08Å | ||
| 1071 | L | 66.3 | Low | 62.7 | Low | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.5 | -178.1 | -70.6 | 167.2 | 0 | 0 | 0 | 110.8 | S1069 T1965 I1967 I2000 | S1069-L1071 VanDerWaalsContact C-N 3.34Å; S1069-L1071 PolarHBondContact O-N 3.21Å; L1071-T1965 HydrophobicContact CD1-CG2 3.97Å; L1071-T1965 HydrophobicContact CG-CG2 3.87Å; L1071-I1967 HydrophobicContact CD1-CB 4.02Å; L1071-I1967 HydrophobicContact CD1-CG2 3.71Å; L1071-I2000 HydrophobicContact CD2-CG1 4.49Å |
| 1072 | L | 67.2 | Low | 61.3 | Low | 74 Ų | 74 | 51.5 Ų | 51.5 | 39% | 0.387 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.9 | 176 | -170.7 | 74.3 | 0 | 0 | 0 | 109.6 | I1065 Y1999 | I1065-L1072 HydrophobicContact CD1-CD1 4.01Å; L1072-Y1999 PolarHBondContact N-O 3.09Å; L1072-Y1999 PolarHBondContact O-N 3.21Å |
| 1073 | P | 65.7 | Low | 60.5 | Low | 12 Ų | 12 | 48.5 Ų | 48.5 | 8% | 0.078 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 133.6 | 172.6 | 28.7 | -33.2 | 0 | 0 | 0 | 110.2 | V1028 Y1077 Y1998 | V1028-P1073 HydrophobicContact CG1-CG 4.39Å; P1073-Y1077 HydrophobicContact CB-CE1 4.4Å; P1073-Y1998 HydrophobicContact CB-CE1 4.23Å |
| 1074 | L | 62.6 | Low | 59.9 | Low | 64 Ų | 64 | 43.6 Ų | 43.6 | 34% | 0.335 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -83.3 | -18.3 | -179.4 | -74.4 | 168.2 | 0 | 0 | 0 | 113.7 | S1997 | L1074-S1997 PolarHBondContact N-O 3.03Š|
| 1075 | Y | 61.7 | Low | 59.6 | Low | 116 Ų | 116 | 43.3 Ų | 43.3 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -141.5 | 158.6 | -177.9 | -56.7 | -73.3 | 0 | 0 | 0 | 110.1 | ||
| 1076 | S | 61.2 | Low | 59.4 | Low | 34 Ų | 34 | 45.8 Ų | 45.8 | 24% | 0.238 | 24% | 0.236 | C | C | . | . | trans | -62.9 | 142.5 | 172.7 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1077 | Y | 64.1 | Low | 59.5 | Low | 14 Ų | 14 | 44.7 Ų | 44.7 | 6% | 0.055 | 23% | 0.234 | C | C | . | . | trans | -60.9 | 154.1 | 176.9 | -60.6 | -46.2 | 0 | 0 | 0 | 112.9 | G1029 Y1030 P1073 L1079 T1080 | G1029-Y1077 PolarHBondContact O-N 3.12Å; Y1030-Y1077 AromaticContact CD2-CD2 3.73Å; Y1030-Y1077 HydrophobicContact CD2-CD2 3.73Å; Y1030-Y1077 AromaticContact CD2-CE2 3.99Å; Y1030-Y1077 HydrophobicContact CD2-CE2 3.99Å; Y1030-Y1077 AromaticContact CE2-CD2 3.69Å; Y1030-Y1077 HydrophobicContact CE2-CD2 3.69Å; Y1030-Y1077 HydrophobicContact CE2-CE2 4.01Å; Y1030-Y1077 HydrophobicContact CG-CD2 4.25Å; P1073-Y1077 HydrophobicContact CB-CE1 4.4Å; Y1077-L1079 PolarHBondContact O-N 3.35Å; Y1077-L1079 VanDerWaalsContact O-N 3.15Å; Y1077-T1080 PolarHBondContact O-N 3.47Å; Y1077-T1080 PolarHBondContact O-OG1 2.98Å | ||
| 1078 | P | 55 | Low | 59.7 | Low | 17 Ų | 17 | 41.1 Ų | 41.1 | 11% | 0.11 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30 | -174.4 | -26.4 | 35.4 | 0 | 0 | 0 | 115 | I1571 | P1078-I1571 HydrophobicContact CG-CD1 4.47Š|
| 1079 | L | 55.9 | Low | 60 | Low | 115 Ų | 115 | 40.8 Ų | 40.8 | 60% | 0.602 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 53.7 | -176.1 | -64.7 | 173.8 | 0 | 0 | 0 | 111.9 | Y1077 | Y1077-L1079 PolarHBondContact O-N 3.35Å; Y1077-L1079 VanDerWaalsContact O-N 3.15Å |
| 1080 | T | 52.7 | Low | 60.1 | Low | 10 Ų | 10 | 46 Ų | 46 | 6% | 0.061 | 26% | 0.255 | C | S | . | . | trans | -80.6 | 135.5 | 175.7 | 26.7 | 0 | 0 | 0 | 0 | 112.6 | Y1030 Y1077 | Y1030-T1080 WeakPolarHBondContact O-CG2 3.46Å; Y1077-T1080 PolarHBondContact O-N 3.47Å; Y1077-T1080 PolarHBondContact O-OG1 2.98Å | ||
| 1081 | P | 47.3 | Very low | 60.1 | Low | 26 Ų | 26 | 44 Ų | 44 | 17% | 0.169 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 154.4 | 169.3 | -25.1 | 34.2 | 0 | 0 | 0 | 112.4 | I1008 R1033 F1034 N1083 | I1008-P1081 HydrophobicContact CD1-CG 4.24Å; I1008-P1081 HydrophobicContact CG1-CG 3.89Å; R1033-P1081 WeakPolarHBondContact CD-O 3.39Å; F1034-P1081 HydrophobicContact CE2-CB 4.03Å; F1034-P1081 WeakPolarHBondContact CE2-O 3.12Å; F1034-P1081 HydrophobicContact CZ-CB 3.96Å; F1034-P1081 VanDerWaalsContact CZ-O 3.26Å; F1034-P1081 WeakPolarHBondContact CZ-O 3.44Å; P1081-N1083 VanDerWaalsContact C-N 3.27Å; P1081-N1083 PolarHBondContact O-N 3.47Å |
| 1082 | G | 47.1 | Very low | 59.8 | Low | 30 Ų | 30 | 47.3 Ų | 47.3 | 31% | 0.309 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 11.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1033 | R1033-G1082 PolarHBondContact NE-O 2.9Å; R1033-G1082 PolarHBondContact NH2-O 2.91Å |
| 1083 | N | 55.8 | Low | 59.6 | Low | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.08 | 27% | 0.27 | C | S | . | . | trans | -68.6 | 141.9 | 158.6 | -157.2 | -70.6 | 0 | 0 | 0 | 108.9 | P1081 L1085 R1570 | P1081-N1083 VanDerWaalsContact C-N 3.27Å; P1081-N1083 PolarHBondContact O-N 3.47Å; N1083-L1085 PolarHBondContact O-N 3.16Å; N1083-L1085 WeakPolarHBondContact OD1-CB 3.25Å; N1083-L1085 PolarHBondContact OD1-N 3.12Å; N1083-L1085 VanDerWaalsContact OD1-N 3.09Å; N1083-R1570 PolarHBondContact OD1-NH2 3.3Å | ||
| 1084 | P | 58 | Low | 59.7 | Low | 16 Ų | 16 | 48 Ų | 48 | 10% | 0.104 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -66.1 | -13.8 | 172.3 | 26.9 | -35.5 | 0 | 0 | 0 | 113.3 | L1510 W1542 N1543 A1547 | P1084-L1510 HydrophobicContact CB-CD2 4.03Å; P1084-L1510 HydrophobicContact CG-CD2 3.94Å; P1084-W1542 CarbonylContact O-C 3.47Å; P1084-W1542 WeakPolarHBondContact O-CA 3.47Å; P1084-W1542 WeakPolarHBondContact O-CB 3.29Å; P1084-N1543 PolarHBondContact O-N 3.1Å; P1084-A1547 HydrophobicContact CB-CB 3.94Å |
| 1085 | L | 63.9 | Low | 60.1 | Low | 17 Ų | 17 | 45.5 Ų | 45.5 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 117.9 | 164.1 | -178.6 | 95.2 | 0 | 0 | 0 | 109.4 | N1083 Q1088 N1540 L1541 W1542 | N1083-L1085 PolarHBondContact O-N 3.16Å; N1083-L1085 WeakPolarHBondContact OD1-CB 3.25Å; N1083-L1085 PolarHBondContact OD1-N 3.12Å; N1083-L1085 VanDerWaalsContact OD1-N 3.09Å; L1085-Q1088 HydrophobicContact CD2-CG 3.77Å; L1085-N1540 HydrophobicContact CD1-CB 3.68Å; L1085-L1541 CarbonylContact C-O 3.38Å; L1085-L1541 VanDerWaalsContact CA-O 3.27Å; L1085-L1541 WeakPolarHBondContact CA-O 3.44Å; L1085-L1541 WeakPolarHBondContact CD1-O 3.48Å; L1085-L1541 WeakPolarHBondContact CG-O 3.25Å; L1085-W1542 HydrophobicContact CD1-CD2 4.01Å; L1085-W1542 HydrophobicContact CD1-CG 4.18Å; L1085-W1542 HydrophobicContact CD1-CZ2 4.18Å |
| 1086 | L | 60.9 | Low | 60.5 | Low | 64 Ų | 64 | 40.4 Ų | 40.4 | 34% | 0.335 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -35.5 | 175.9 | -63.4 | 172.6 | 0 | 0 | 0 | 112 | E1132 Q1528 L1541 N1543 | L1086-E1132 WeakPolarHBondContact CD1-OE1 3.16Å; L1086-Q1528 HydrophobicContact CD1-CG 4.28Å; L1086-L1541 HydrophobicContact CB-CB 4.2Å; L1086-L1541 PolarHBondContact N-O 3.18Å; L1086-N1543 HydrophobicContact CD1-CB 4.11Å; L1086-N1543 HydrophobicContact CD2-CB 4Å; L1086-N1543 HydrophobicContact CG-CB 4Å |
| 1087 | G | 61.2 | Low | 60.9 | Low | 24 Ų | 24 | 40.2 Ų | 40.2 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1541 | G1087-L1541 PolarHBondContact O-N 3.21Å |
| 1088 | Q | 66.1 | Low | 61.3 | Low | 74 Ų | 74 | 40.4 Ų | 40.4 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.2 | 171.2 | -58.7 | -164.3 | -50 | 0 | 0 | 109.3 | L1085 I1538 L1539 N1540 | L1085-Q1088 HydrophobicContact CD2-CG 3.77Å; Q1088-I1538 HydrophobicContact CB-CG2 3.91Å; Q1088-I1538 HydrophobicContact CG-CG2 4.27Å; Q1088-L1539 CarbonylContact C-O 3.58Å; Q1088-L1539 WeakPolarHBondContact CA-O 3.31Å; Q1088-N1540 PolarHBondContact NE2-OD1 2.88Å |
| 1089 | I | 66.2 | Low | 62 | Low | 68 Ų | 68 | 44 Ų | 44 | 35% | 0.349 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.3 | 175.1 | -59 | 173 | 0 | 0 | 0 | 108.1 | L1539 L1541 | I1089-L1539 HydrophobicContact CB-CB 4.22Å; I1089-L1539 PolarHBondContact N-O 3.04Å; I1089-L1539 PolarHBondContact O-N 3.32Å; I1089-L1541 HydrophobicContact CD1-CD1 4.03Å |
| 1090 | T | 59.7 | Low | 62.4 | Low | 116 Ų | 116 | 40.3 Ų | 40.3 | 71% | 0.712 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 112.4 | 176.9 | 37.7 | 0 | 0 | 0 | 0 | 110.3 | I1538 | T1090-I1538 HydrophobicContact CG2-CG1 4.42Å |
| 1091 | C | 64.7 | Low | 62.7 | Low | 12 Ų | 12 | 40.2 Ų | 40.2 | 8% | 0.081 | 24% | 0.241 | C | C | . | . | trans | -85.2 | 129.3 | -179.9 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | T1093 L1118 K1537 | C1091-T1093 VanDerWaalsContact CB-O 3.26Å; C1091-T1093 WeakPolarHBondContact CB-O 3.25Å; C1091-T1093 PolarHBondContact O-N 3.31Å; C1091-L1118 HydrophobicContact CB-CD1 4.24Å; C1091-L1118 HydrophobicContact CB-CD2 3.92Å; C1091-K1537 HydrophobicContact CB-CB 4.26Å; C1091-K1537 VanDerWaalsContact CB-O 3.32Å; C1091-K1537 WeakPolarHBondContact CB-O 3.24Å; C1091-K1537 PolarHBondContact N-O 3.07Å; C1091-K1537 WeakPolarHBondContact O-CB 3.34Å; C1091-K1537 VanDerWaalsContact O-CD 3.28Å; C1091-K1537 WeakPolarHBondContact O-CD 3.49Å | ||
| 1092 | A | 59.2 | Low | 63 | Low | 75 Ų | 75 | 43.3 Ų | 43.3 | 62% | 0.62 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -61.3 | -43.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K1537 | A1092-K1537 PolarHBondContact O-NZ 3.31Š|
| 1093 | T | 63.5 | Low | 63.1 | Low | 48 Ų | 48 | 43.6 Ų | 43.6 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -117.3 | 176.5 | 171.9 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | C1091 L1118 R1119 | C1091-T1093 VanDerWaalsContact CB-O 3.26Å; C1091-T1093 WeakPolarHBondContact CB-O 3.25Å; C1091-T1093 PolarHBondContact O-N 3.31Å; T1093-L1118 WeakPolarHBondContact OG1-CB 3.45Å; T1093-R1119 WeakPolarHBondContact CB-O 3.32Å; T1093-R1119 WeakPolarHBondContact CG2-O 3.28Å; T1093-R1119 PolarHBondContact OG1-N 3.23Å; T1093-R1119 VanDerWaalsContact OG1-N 3.12Å; T1093-R1119 PolarHBondContact OG1-O 3.16Å |
| 1094 | S | 67.1 | Low | 62.8 | Low | 52 Ų | 52 | 50.4 Ų | 50.4 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | trans | -72.1 | 146.1 | 179.5 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | L1096 R1119 Y1532 | S1094-L1096 PolarHBondContact O-N 3.34Å; S1094-R1119 VanDerWaalsContact O-CB 3.3Å; S1094-R1119 WeakPolarHBondContact O-CB 3.46Å; S1094-R1119 PolarHBondContact O-N 2.9Å; S1094-Y1532 VanDerWaalsContact CA-OH 3.29Å; S1094-Y1532 WeakPolarHBondContact CA-OH 3.48Å | ||
| 1095 | L | 71.9 | Confident | 62.3 | Low | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 118.5 | 177.7 | 179.6 | 68.4 | 0 | 0 | 0 | 110.8 | N1097 L1098 I1116 L1118 Y1532 L1539 | L1095-N1097 WeakPolarHBondContact CD1-O 3.29Å; L1095-L1098 HydrophobicContact CD1-CB 4.36Å; L1095-L1098 HydrophobicContact CD1-CD1 4.4Å; L1095-L1098 HydrophobicContact CD2-CB 4.27Å; L1095-I1116 HydrophobicContact CD1-CG2 3.45Å; L1095-I1116 VanDerWaalsContact CD1-CG2 3.45Å; L1095-L1118 HydrophobicContact CD1-CD2 4.43Å; L1095-Y1532 HydrophobicContact CB-CD1 3.85Å; L1095-Y1532 HydrophobicContact CB-CD2 3.95Å; L1095-Y1532 HydrophobicContact CB-CE1 3.65Å; L1095-Y1532 HydrophobicContact CB-CE2 3.76Å; L1095-Y1532 HydrophobicContact CB-CG 4.01Å; L1095-Y1532 HydrophobicContact CD2-CD1 3.87Å; L1095-Y1532 HydrophobicContact CD2-CD2 4.16Å; L1095-Y1532 HydrophobicContact CD2-CG 3.67Å; L1095-Y1532 PolarHBondContact N-OH 3.22Å; L1095-L1539 HydrophobicContact CD2-CD2 4.38Å |
| 1096 | L | 69.2 | Low | 61.6 | Low | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -59.5 | 177.3 | -167.8 | 66.1 | 0 | 0 | 0 | 109.7 | S1094 K1117 R1119 G1143 Y1144 R1519 | S1094-L1096 PolarHBondContact O-N 3.34Å; L1096-K1117 WeakPolarHBondContact CA-O 3.2Å; L1096-K1117 VanDerWaalsContact CB-O 3.31Å; L1096-K1117 WeakPolarHBondContact CB-O 3.46Å; L1096-K1117 HydrophobicContact CD2-CG 4.5Å; L1096-K1117 PolarHBondContact N-O 3.04Å; L1096-R1119 HydrophobicContact CB-CB 4.4Å; L1096-R1119 HydrophobicContact CD1-CB 4.47Å; L1096-R1119 HydrophobicContact CD1-CG 4.24Å; L1096-G1143 VanDerWaalsContact CD2-C 3.47Å; L1096-G1143 WeakPolarHBondContact CD2-O 3.33Å; L1096-Y1144 HydrophobicContact CD1-CD1 3.91Å; L1096-Y1144 HydrophobicContact CD1-CD2 4.46Å; L1096-Y1144 HydrophobicContact CD1-CE1 3.46Å; L1096-Y1144 VanDerWaalsContact CD1-CE1 3.46Å; L1096-Y1144 HydrophobicContact CD1-CE2 4.07Å; L1096-Y1144 HydrophobicContact CD1-CG 4.39Å; L1096-Y1144 HydrophobicContact CD2-CD1 4.3Å; L1096-Y1144 HydrophobicContact CD2-CD2 4.44Å; L1096-Y1144 HydrophobicContact CD2-CG 4.2Å; L1096-Y1144 HydrophobicContact CG-CD1 3.83Å; L1096-Y1144 HydrophobicContact CG-CE1 3.92Å; L1096-Y1144 HydrophobicContact CG-CG 4.24Å; L1096-R1519 PolarHBondContact O-NH1 3.3Å; L1096-R1519 PolarHBondContact O-NH2 3.43Å |
| 1097 | N | 69.1 | Low | 61.1 | Low | 29 Ų | 29 | 62.2 Ų | 62.2 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 156.5 | 173.4 | -147.8 | -1.9 | 0 | 0 | 0 | 113.3 | L1095 R1099 K1117 L1145 | L1095-N1097 WeakPolarHBondContact CD1-O 3.29Å; N1097-R1099 PolarHBondContact ND2-NE 3.03Å; N1097-K1117 PolarHBondContact N-O 3.31Å; N1097-K1117 VanDerWaalsContact N-O 3.12Å; N1097-K1117 PolarHBondContact O-N 3.13Å; N1097-L1145 PolarHBondContact ND2-O 2.97Å |
| 1098 | L | 72.2 | Confident | 60.7 | Low | 18 Ų | 18 | 64.8 Ų | 64.8 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 121 | 177.2 | -168.3 | 73.8 | 0 | 0 | 0 | 107 | L1095 I1114 L1115 I1116 L1521 I1530 | L1095-L1098 HydrophobicContact CD1-CB 4.36Å; L1095-L1098 HydrophobicContact CD1-CD1 4.4Å; L1095-L1098 HydrophobicContact CD2-CB 4.27Å; L1098-I1114 HydrophobicContact CD1-CG2 3.77Å; L1098-I1114 HydrophobicContact CG-CG2 4.21Å; L1098-L1115 WeakPolarHBondContact CA-O 3.5Å; L1098-I1116 HydrophobicContact CD1-CB 4.06Å; L1098-I1116 HydrophobicContact CD1-CD1 4.24Å; L1098-I1116 HydrophobicContact CD1-CG1 3.69Å; L1098-I1116 HydrophobicContact CD1-CG2 3.87Å; L1098-L1521 HydrophobicContact CD2-CB 3.64Å; L1098-L1521 HydrophobicContact CD2-CD1 3.92Å; L1098-L1521 HydrophobicContact CD2-CD2 4.26Å; L1098-L1521 HydrophobicContact CD2-CG 4.15Å; L1098-L1521 HydrophobicContact CG-CD1 4.03Å; L1098-I1530 HydrophobicContact CD2-CG2 4.26Å |
| 1099 | R | 69.3 | Low | 60.2 | Low | 93 Ų | 93 | 71 Ų | 71 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 156.2 | -175.6 | -65.8 | -65.2 | -163.5 | 167.6 | 4.4 | 110.6 | N1097 L1115 L1147 | N1097-R1099 PolarHBondContact ND2-NE 3.03Å; R1099-L1115 PolarHBondContact N-O 3.35Å; R1099-L1115 PolarHBondContact O-N 2.89Å; R1099-L1147 HydrophobicContact CB-CD1 3.62Å; R1099-L1147 HydrophobicContact CB-CG 4.31Å; R1099-L1147 HydrophobicContact CG-CD1 4.21Å; R1099-L1147 HydrophobicContact CG-CG 4.39Å |
| 1100 | N | 65.3 | Low | 59.8 | Low | 38 Ų | 38 | 69 Ų | 69 | 20% | 0.203 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126.5 | -175.4 | -159.8 | -13.2 | 0 | 0 | 0 | 108.1 | V1522 L1524 | N1100-V1522 PolarHBondContact ND2-O 2.75Å; N1100-L1524 WeakPolarHBondContact OD1-CD1 3.43Å; N1100-L1524 WeakPolarHBondContact OD1-CG 3.25Å |
| 1101 | L | 59.4 | Low | 59.8 | Low | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | trans | -86.8 | 112.3 | -172.4 | -83.5 | 169.9 | 0 | 0 | 0 | 111.3 | L1110 Q1113 L1115 W1138 L1147 L1524 | L1101-L1110 HydrophobicContact CD1-CB 4.17Å; L1101-Q1113 PolarHBondContact N-O 3.46Å; L1101-L1115 HydrophobicContact CD1-CD1 3.91Å; L1101-L1115 HydrophobicContact CD1-CD2 4.06Å; L1101-L1115 HydrophobicContact CD1-CG 4.03Å; L1101-L1115 HydrophobicContact CD2-CD1 4.42Å; L1101-L1115 HydrophobicContact CG-CD1 4.03Å; L1101-L1115 HydrophobicContact CG-CG 4.21Å; L1101-W1138 HydrophobicContact CD1-CH2 4.44Å; L1101-W1138 HydrophobicContact CD1-CZ3 4.39Å; L1101-L1147 HydrophobicContact CD2-CD1 3.93Å; L1101-L1147 HydrophobicContact CG-CD1 4.41Å; L1101-L1524 WeakPolarHBondContact O-CD1 3.21Å | ||
| 1102 | N | 53.1 | Low | 59.9 | Low | 91 Ų | 91 | 68.2 Ų | 68.2 | 49% | 0.487 | 37% | 0.368 | S | S | . | . | trans | -125.9 | 105.7 | -167 | -170.6 | 31.4 | 0 | 0 | 0 | 112.8 | L1524 | N1102-L1524 HydrophobicContact CB-CD1 4.26Å; N1102-L1524 HydrophobicContact CB-CD2 4.09Å; N1102-L1524 WeakPolarHBondContact OD1-CD2 3.44Å | ||
| 1103 | Q | 49.4 | Very low | 60.6 | Low | 36 Ų | 36 | 65.3 Ų | 65.3 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | trans | -136.7 | 130.2 | 162.8 | -81.2 | -142.6 | -38.8 | 0 | 0 | 112 | N1105 N1111 N1150 | Q1103-N1105 HydrophobicContact CB-CB 4.3Å; Q1103-N1105 VanDerWaalsContact CD-ND2 3.34Å; Q1103-N1105 PolarHBondContact NE2-ND2 3.15Å; Q1103-N1105 PolarHBondContact O-N 2.96Å; Q1103-N1105 PolarHBondContact OE1-ND2 3.4Å; Q1103-N1111 PolarHBondContact O-ND2 3Å; Q1103-N1111 VanDerWaalsContact O-ND2 3.16Å; Q1103-N1111 PolarHBondContact O-OD1 2.99Å; Q1103-N1150 VanDerWaalsContact CD-O 3.25Å; Q1103-N1150 WeakPolarHBondContact CG-O 3.42Å; Q1103-N1150 VanDerWaalsContact NE2-CA 3.32Å; Q1103-N1150 VanDerWaalsContact NE2-CB 3.34Å; Q1103-N1150 PolarHBondContact NE2-O 3.32Å | ||
| 1104 | N | 50 | Low | 61.2 | Low | 158 Ų | 158 | 63 Ų | 63 | 85% | 0.845 | 33% | 0.327 | S | S | * | . | trans | -76.9 | 40.1 | 167.6 | -66.2 | -14 | 0 | 0 | 0 | 112 | ||||
| 1105 | N | 46.4 | Very low | 61.7 | Low | 79 Ų | 79 | 60.6 Ų | 60.6 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | trans | -114.2 | 108 | 175.8 | -78.5 | -32.8 | 0 | 0 | 0 | 108.9 | Q1103 A1107 W1108 | Q1103-N1105 HydrophobicContact CB-CB 4.3Å; Q1103-N1105 VanDerWaalsContact CD-ND2 3.34Å; Q1103-N1105 PolarHBondContact NE2-ND2 3.15Å; Q1103-N1105 PolarHBondContact O-N 2.96Å; Q1103-N1105 PolarHBondContact OE1-ND2 3.4Å; N1105-A1107 PolarHBondContact O-N 2.97Å; N1105-W1108 PolarHBondContact O-N 3.17Å | ||
| 1106 | D | 50 | Low | 62 | Low | 174 Ų | 174 | 60.7 Ų | 60.7 | 93% | 0.93 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -8.1 | -175.8 | -58.3 | -44.7 | 0 | 0 | 0 | 114.8 | ||
| 1107 | A | 50.5 | Low | 62.6 | Low | 92 Ų | 92 | 60.2 Ų | 60.2 | 76% | 0.76 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -8.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N1105 | N1105-A1107 PolarHBondContact O-N 2.97Š|
| 1108 | W | 53.3 | Low | 63 | Low | 77 Ų | 77 | 59.1 Ų | 59.1 | 29% | 0.292 | 30% | 0.302 | S | S | . | . | trans | -103.7 | 116.1 | -168 | -71.7 | 57.8 | 0 | 0 | 0 | 112.7 | N1105 L1110 K1152 D1171 | N1105-W1108 PolarHBondContact O-N 3.17Å; W1108-L1110 PolarHBondContact O-N 3Å; W1108-K1152 HydrophobicContact CH2-CB 3.92Å; W1108-K1152 HydrophobicContact CH2-CD 4.35Å; W1108-K1152 HydrophobicContact CH2-CG 3.92Å; W1108-K1152 HydrophobicContact CZ3-CB 4.27Å; W1108-K1152 HydrophobicContact CZ3-CG 4.46Å; W1108-D1171 HydrophobicContact CH2-CB 4.11Å; W1108-D1171 HydrophobicContact CZ3-CB 3.83Å | ||
| 1109 | K | 55.4 | Low | 63 | Low | 206 Ų | 206 | 64.1 Ų | 64.1 | 90% | 0.896 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -0.1 | -177 | -72.1 | -173.2 | 175.6 | -177.8 | 0 | 116.1 | ||
| 1110 | L | 57 | Low | 63 | Low | 26 Ų | 26 | 64.6 Ų | 64.6 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 2.3 | -168.8 | -64.5 | 174.7 | 0 | 0 | 0 | 114.3 | L1101 W1108 W1138 I1170 | L1101-L1110 HydrophobicContact CD1-CB 4.17Å; W1108-L1110 PolarHBondContact O-N 3Å; L1110-W1138 HydrophobicContact CD1-CH2 3.88Å; L1110-W1138 HydrophobicContact CD1-CZ2 4.3Å; L1110-W1138 HydrophobicContact CD2-CH2 3.72Å; L1110-W1138 HydrophobicContact CD2-CZ2 3.8Å; L1110-W1138 HydrophobicContact CG-CH2 4.41Å; L1110-I1170 HydrophobicContact CD1-CG2 4.24Å |
| 1111 | N | 60.1 | Low | 63.4 | Low | 44 Ų | 44 | 63.9 Ų | 63.9 | 24% | 0.235 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 148 | 175.3 | -68.6 | -12.3 | 0 | 0 | 0 | 110.9 | Q1103 Q1113 | Q1103-N1111 PolarHBondContact O-ND2 3Å; Q1103-N1111 VanDerWaalsContact O-ND2 3.16Å; Q1103-N1111 PolarHBondContact O-OD1 2.99Å; N1111-Q1113 VanDerWaalsContact C-N 3.29Å; N1111-Q1113 PolarHBondContact O-N 2.98Å |
| 1112 | H | 67.2 | Low | 64.3 | Low | 67 Ų | 67 | 66.8 Ų | 66.8 | 31% | 0.31 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 11.7 | -178.1 | -43.2 | -65 | 0 | 0 | 0 | 116.7 | C1129 Q1130 | H1112-C1129 PolarHBondContact O-N 3.42Å; H1112-Q1130 HydrophobicContact CB-CB 4.46Å; H1112-Q1130 PolarHBondContact CD2-OE1 2.9Å |
| 1113 | Q | 73.5 | Confident | 65.6 | Low | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.065 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 133.9 | 172.8 | -62.6 | -168.2 | -0.6 | 0 | 0 | 113.2 | L1101 N1111 Y1127 | L1101-Q1113 PolarHBondContact N-O 3.46Å; N1111-Q1113 VanDerWaalsContact C-N 3.29Å; N1111-Q1113 PolarHBondContact O-N 2.98Å; Q1113-Y1127 WeakPolarHBondContact CA-O 3.17Å |
| 1114 | I | 75 | Confident | 67 | Low | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.9 | 171.7 | -64.8 | 177.1 | 0 | 0 | 0 | 109.5 | L1098 I1116 R1126 Y1127 C1129 L1521 D1523 I1530 | L1098-I1114 HydrophobicContact CD1-CG2 3.77Å; L1098-I1114 HydrophobicContact CG-CG2 4.21Å; I1114-I1116 HydrophobicContact CG2-CG1 4.29Å; I1114-R1126 WeakPolarHBondContact O-CA 3.03Å; I1114-Y1127 PolarHBondContact N-O 2.86Å; I1114-Y1127 PolarHBondContact O-N 2.94Å; I1114-Y1127 VanDerWaalsContact O-N 3.12Å; I1114-C1129 WeakPolarHBondContact CD1-SG 3.35Å; I1114-L1521 HydrophobicContact CD1-CD2 3.8Å; I1114-L1521 HydrophobicContact CG1-CD2 4.48Å; I1114-D1523 HydrophobicContact CD1-CB 4.34Å; I1114-I1530 HydrophobicContact CD1-CD1 3.48Å; I1114-I1530 VanDerWaalsContact CD1-CD1 3.48Å; I1114-I1530 HydrophobicContact CD1-CG1 4.37Å; I1114-I1530 HydrophobicContact CG2-CD1 4.44Å |
| 1115 | L | 78.9 | Confident | 68.3 | Low | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.6 | 176.6 | -55.9 | -171.1 | 0 | 0 | 0 | 110.4 | L1098 R1099 L1101 I1124 R1126 W1138 L1145 L1147 | L1098-L1115 WeakPolarHBondContact CA-O 3.5Å; R1099-L1115 PolarHBondContact N-O 3.35Å; R1099-L1115 PolarHBondContact O-N 2.89Å; L1101-L1115 HydrophobicContact CD1-CD1 3.91Å; L1101-L1115 HydrophobicContact CD1-CD2 4.06Å; L1101-L1115 HydrophobicContact CD1-CG 4.03Å; L1101-L1115 HydrophobicContact CD2-CD1 4.42Å; L1101-L1115 HydrophobicContact CG-CD1 4.03Å; L1101-L1115 HydrophobicContact CG-CG 4.21Å; L1115-I1124 HydrophobicContact CB-CG2 3.83Å; L1115-I1124 HydrophobicContact CD1-CG2 4.36Å; L1115-I1124 HydrophobicContact CD2-CG2 4.05Å; L1115-I1124 HydrophobicContact CG-CG2 4.3Å; L1115-R1126 HydrophobicContact CD2-CG 3.87Å; L1115-W1138 HydrophobicContact CD1-CZ3 4.16Å; L1115-W1138 HydrophobicContact CD2-CE3 4.02Å; L1115-W1138 HydrophobicContact CD2-CZ3 3.62Å; L1115-L1145 HydrophobicContact CB-CD2 4.23Å; L1115-L1145 HydrophobicContact CD1-CD2 4.36Å; L1115-L1147 HydrophobicContact CD1-CD1 4.21Å; L1115-L1147 HydrophobicContact CD1-CD2 4.08Å |
| 1116 | I | 78.3 | Confident | 69.8 | Low | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.1 | 179.9 | -36.3 | -172.4 | 0 | 0 | 0 | 109 | L1095 L1098 I1114 L1118 Y1125 L1539 | L1095-I1116 HydrophobicContact CD1-CG2 3.45Å; L1095-I1116 VanDerWaalsContact CD1-CG2 3.45Å; L1098-I1116 HydrophobicContact CD1-CB 4.06Å; L1098-I1116 HydrophobicContact CD1-CD1 4.24Å; L1098-I1116 HydrophobicContact CD1-CG1 3.69Å; L1098-I1116 HydrophobicContact CD1-CG2 3.87Å; I1114-I1116 HydrophobicContact CG2-CG1 4.29Å; I1116-L1118 HydrophobicContact CG2-CD2 4.31Å; I1116-Y1125 PolarHBondContact N-O 2.86Å; I1116-Y1125 PolarHBondContact O-N 3.45Å; I1116-L1539 HydrophobicContact CD1-CD1 3.94Å; I1116-L1539 HydrophobicContact CG2-CD1 4.2Å |
| 1117 | K | 80.3 | Confident | 70.9 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 115.5 | 175.3 | -167.6 | 53.7 | 155.6 | 176.3 | 0 | 109.8 | L1096 N1097 D1121 P1122 I1123 I1124 S1140 S1141 G1143 L1145 | L1096-K1117 WeakPolarHBondContact CA-O 3.2Å; L1096-K1117 VanDerWaalsContact CB-O 3.31Å; L1096-K1117 WeakPolarHBondContact CB-O 3.46Å; L1096-K1117 HydrophobicContact CD2-CG 4.5Å; L1096-K1117 PolarHBondContact N-O 3.04Å; N1097-K1117 PolarHBondContact N-O 3.31Å; N1097-K1117 VanDerWaalsContact N-O 3.12Å; N1097-K1117 PolarHBondContact O-N 3.13Å; K1117-D1121 VanDerWaalsContact CE-O 3.31Å; K1117-D1121 WeakPolarHBondContact CE-O 3.43Å; K1117-D1121 PolarHBondContact NZ-O 3.21Å; K1117-P1122 PolarHBondContact NZ-O 2.87Å; K1117-I1123 WeakPolarHBondContact CD-O 3.37Å; K1117-I1123 PolarHBondContact NZ-O 2.85Å; K1117-I1124 HydrophobicContact CD-CG1 4.12Å; K1117-S1140 PolarHBondContact NZ-OG 3.43Å; K1117-S1141 WeakPolarHBondContact CE-O 3.48Å; K1117-S1141 PolarHBondContact NZ-O 3.26Å; K1117-G1143 WeakPolarHBondContact CG-O 3.46Å; K1117-L1145 HydrophobicContact CB-CB 4.14Å; K1117-L1145 HydrophobicContact CB-CD2 4.46Å; K1117-L1145 HydrophobicContact CG-CB 4.15Å |
| 1118 | L | 78.5 | Confident | 71.9 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 156.6 | 175.6 | -61.3 | -171.4 | 0 | 0 | 0 | 110.9 | C1091 T1093 L1095 I1116 D1121 Y1125 | C1091-L1118 HydrophobicContact CB-CD1 4.24Å; C1091-L1118 HydrophobicContact CB-CD2 3.92Å; T1093-L1118 WeakPolarHBondContact OG1-CB 3.45Å; L1095-L1118 HydrophobicContact CD1-CD2 4.43Å; I1116-L1118 HydrophobicContact CG2-CD2 4.31Å; L1118-D1121 HydrophobicContact CB-CB 3.83Å; L1118-D1121 PolarHBondContact O-N 2.95Å; L1118-Y1125 HydrophobicContact CD1-CD2 4.36Å; L1118-Y1125 HydrophobicContact CD1-CE2 3.68Å; L1118-Y1125 HydrophobicContact CG-CD2 4.26Å; L1118-Y1125 HydrophobicContact CG-CE2 3.94Å |
| 1119 | R | 72.6 | Confident | 72.5 | Confident | 123 Ų | 123 | 41.9 Ų | 41.9 | 46% | 0.464 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 137.7 | -178.6 | -168 | 172.2 | -168.7 | -149.6 | -0.6 | 111.1 | T1093 S1094 L1096 D1121 E1159 | T1093-R1119 WeakPolarHBondContact CB-O 3.32Å; T1093-R1119 WeakPolarHBondContact CG2-O 3.28Å; T1093-R1119 PolarHBondContact OG1-N 3.23Å; T1093-R1119 VanDerWaalsContact OG1-N 3.12Å; T1093-R1119 PolarHBondContact OG1-O 3.16Å; S1094-R1119 VanDerWaalsContact O-CB 3.3Å; S1094-R1119 WeakPolarHBondContact O-CB 3.46Å; S1094-R1119 PolarHBondContact O-N 2.9Å; L1096-R1119 HydrophobicContact CB-CB 4.4Å; L1096-R1119 HydrophobicContact CD1-CB 4.47Å; L1096-R1119 HydrophobicContact CD1-CG 4.24Å; R1119-D1121 PolarHBondContact O-N 3.35Å; R1119-E1159 WeakPolarHBondContact CG-OE2 3.45Å; R1119-E1159 IonicContact CZ-OE1 3.52Å; R1119-E1159 IonicContact NE-OE1 2.72Å; R1119-E1159 PolarHBondContact NE-OE1 3.47Å; R1119-E1159 IonicContact NE-OE2 3.5Å; R1119-E1159 IonicContact NH2-OE1 3.59Å; R1119-E1159 PolarHBondContact NH2-OE1 2.9Å |
| 1120 | N | 69.8 | Low | 72.9 | Confident | 103 Ų | 103 | 39.1 Ų | 39.1 | 55% | 0.551 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 16.3 | -173.4 | -62.5 | 27 | 0 | 0 | 0 | 115.1 | ||
| 1121 | D | 73.7 | Confident | 73.2 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 12% | 0.123 | 21% | 0.209 | C | C | . | . | trans | -105.4 | 126.1 | -174.1 | -162.7 | -30.5 | 0 | 0 | 0 | 111.6 | K1117 L1118 R1119 I1123 Y1125 | K1117-D1121 VanDerWaalsContact CE-O 3.31Å; K1117-D1121 WeakPolarHBondContact CE-O 3.43Å; K1117-D1121 PolarHBondContact NZ-O 3.21Å; L1118-D1121 HydrophobicContact CB-CB 3.83Å; L1118-D1121 PolarHBondContact O-N 2.95Å; R1119-D1121 PolarHBondContact O-N 3.35Å; D1121-I1123 PolarHBondContact O-N 2.65Å; D1121-I1123 VanDerWaalsContact OD1-CB 3.28Å; D1121-I1123 WeakPolarHBondContact OD1-CB 3.37Å; D1121-I1123 WeakPolarHBondContact OD1-CG1 3.42Å; D1121-I1123 PolarHBondContact OD1-N 2.85Å; D1121-Y1125 WeakPolarHBondContact OD2-CE2 3.47Å; D1121-Y1125 PolarHBondContact OD2-OH 2.93Å | ||
| 1122 | P | 76.5 | Confident | 73.3 | Confident | 69 Ų | 69 | 45.8 Ų | 45.8 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -69.6 | -16.3 | 172.4 | 29.3 | -34.9 | 0 | 0 | 0 | 113.7 | K1117 S1140 | K1117-P1122 PolarHBondContact NZ-O 2.87Å; P1122-S1140 WeakPolarHBondContact CB-O 3.35Å; P1122-S1140 CarbonylContact O-C 3.55Å; P1122-S1140 PolarHBondContact O-N 3.16Å; P1122-S1140 PolarHBondContact O-OG 2.66Å; P1122-S1140 VanDerWaalsContact O-OG 3.07Å |
| 1123 | I | 80.9 | Confident | 73.2 | Confident | 53 Ų | 53 | 50.7 Ų | 50.7 | 27% | 0.272 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 146.2 | -177.5 | -57.3 | 175.8 | 0 | 0 | 0 | 111.4 | K1117 D1121 Y1125 C1137 W1138 | K1117-I1123 WeakPolarHBondContact CD-O 3.37Å; K1117-I1123 PolarHBondContact NZ-O 2.85Å; D1121-I1123 PolarHBondContact O-N 2.65Å; D1121-I1123 VanDerWaalsContact OD1-CB 3.28Å; D1121-I1123 WeakPolarHBondContact OD1-CB 3.37Å; D1121-I1123 WeakPolarHBondContact OD1-CG1 3.42Å; D1121-I1123 PolarHBondContact OD1-N 2.85Å; I1123-Y1125 HydrophobicContact CB-CD2 4.48Å; I1123-Y1125 HydrophobicContact CB-CE2 4.12Å; I1123-Y1125 HydrophobicContact CG2-CD1 4.44Å; I1123-Y1125 HydrophobicContact CG2-CD2 4.01Å; I1123-Y1125 HydrophobicContact CG2-CE1 4.44Å; I1123-Y1125 HydrophobicContact CG2-CE2 4Å; I1123-Y1125 HydrophobicContact CG2-CG 4.23Å; I1123-C1137 HydrophobicContact CG2-CB 3.57Å; I1123-W1138 CarbonylContact C-O 3.54Å; I1123-W1138 WeakPolarHBondContact CA-O 3.36Å |
| 1124 | I | 79.9 | Confident | 72.7 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 108.4 | 160.6 | -60.8 | 169.6 | 0 | 0 | 0 | 106.1 | L1115 K1117 W1138 L1145 | L1115-I1124 HydrophobicContact CB-CG2 3.83Å; L1115-I1124 HydrophobicContact CD1-CG2 4.36Å; L1115-I1124 HydrophobicContact CD2-CG2 4.05Å; L1115-I1124 HydrophobicContact CG-CG2 4.3Å; K1117-I1124 HydrophobicContact CD-CG1 4.12Å; I1124-W1138 HydrophobicContact CB-CB 4.19Å; I1124-W1138 PolarHBondContact N-O 3.23Å; I1124-W1138 PolarHBondContact O-N 3.1Å; I1124-L1145 HydrophobicContact CD1-CD1 4.15Å; I1124-L1145 HydrophobicContact CD1-CD2 4.14Å; I1124-L1145 HydrophobicContact CG1-CD2 4.37Å; I1124-L1145 HydrophobicContact CG2-CD2 4.32Å |
| 1125 | Y | 77.5 | Confident | 72.5 | Confident | 65 Ų | 65 | 57.4 Ų | 57.4 | 26% | 0.255 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 146.3 | 176.8 | -60.6 | -102.7 | 0 | 0 | 0 | 109.8 | I1116 L1118 D1121 I1123 | I1116-Y1125 PolarHBondContact N-O 2.86Å; I1116-Y1125 PolarHBondContact O-N 3.45Å; L1118-Y1125 HydrophobicContact CD1-CD2 4.36Å; L1118-Y1125 HydrophobicContact CD1-CE2 3.68Å; L1118-Y1125 HydrophobicContact CG-CD2 4.26Å; L1118-Y1125 HydrophobicContact CG-CE2 3.94Å; D1121-Y1125 WeakPolarHBondContact OD2-CE2 3.47Å; D1121-Y1125 PolarHBondContact OD2-OH 2.93Å; I1123-Y1125 HydrophobicContact CB-CD2 4.48Å; I1123-Y1125 HydrophobicContact CB-CE2 4.12Å; I1123-Y1125 HydrophobicContact CG2-CD1 4.44Å; I1123-Y1125 HydrophobicContact CG2-CD2 4.01Å; I1123-Y1125 HydrophobicContact CG2-CE1 4.44Å; I1123-Y1125 HydrophobicContact CG2-CE2 4Å; I1123-Y1125 HydrophobicContact CG2-CG 4.23Å |
| 1126 | R | 77.6 | Confident | 72.2 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 7% | 0.072 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.8 | -174.2 | -65.9 | 163.6 | 69.5 | -174.4 | 13.9 | 110.1 | I1114 L1115 V1135 P1136 W1138 D1173 | I1114-R1126 WeakPolarHBondContact O-CA 3.03Å; L1115-R1126 HydrophobicContact CD2-CG 3.87Å; R1126-V1135 HydrophobicContact CB-CB 3.85Å; R1126-V1135 HydrophobicContact CB-CG1 4.31Å; R1126-V1135 PolarHBondContact O-N 3.37Å; R1126-P1136 WeakPolarHBondContact CD-O 3.22Å; R1126-P1136 PolarHBondContact NH1-O 2.87Å; R1126-W1138 HydrophobicContact CG-CD2 4.43Å; R1126-W1138 HydrophobicContact CG-CE3 4.2Å; R1126-W1138 VanDerWaalsContact CZ-CE2 3.44Å; R1126-W1138 VanDerWaalsContact CZ-CZ2 3.48Å; R1126-W1138 VanDerWaalsContact NH1-NE1 3.19Å; R1126-D1173 IonicContact NH1-OD2 2.67Å |
| 1127 | Y | 72.8 | Confident | 72.2 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.8 | 172.9 | -170.5 | -103 | 0 | 0 | 0 | 109.3 | Q1113 I1114 E1132 R1133 L1541 | Q1113-Y1127 WeakPolarHBondContact CA-O 3.17Å; I1114-Y1127 PolarHBondContact N-O 2.86Å; I1114-Y1127 PolarHBondContact O-N 2.94Å; I1114-Y1127 VanDerWaalsContact O-N 3.12Å; Y1127-E1132 VanDerWaalsContact OH-CA 3.29Å; Y1127-E1132 WeakPolarHBondContact OH-CA 3.41Å; Y1127-E1132 PolarHBondContact OH-O 2.93Å; Y1127-R1133 WeakPolarHBondContact CD2-O 3.35Å; Y1127-L1541 HydrophobicContact CE1-CD1 4.25Å; Y1127-L1541 HydrophobicContact CE2-CD1 4.17Å |
| 1128 | D | 70.8 | Confident | 72.3 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 109.9 | 174.6 | -177.4 | -33.8 | 0 | 0 | 0 | 108.8 | Q1130 Q1131 E1132 R1133 V1135 | D1128-Q1130 VanDerWaalsContact C-N 3.25Å; D1128-Q1130 PolarHBondContact O-N 2.93Å; D1128-Q1130 WeakPolarHBondContact OD1-CA 3.49Å; D1128-Q1130 WeakPolarHBondContact OD1-CB 3.3Å; D1128-Q1130 PolarHBondContact OD1-N 2.71Å; D1128-Q1131 HydrophobicContact CB-CB 4.2Å; D1128-Q1131 PolarHBondContact O-N 3.1Å; D1128-Q1131 PolarHBondContact OD1-N 3Å; D1128-Q1131 PolarHBondContact OD2-NE2 2.91Å; D1128-E1132 WeakPolarHBondContact O-CA 3.43Å; D1128-E1132 PolarHBondContact O-N 2.95Å; D1128-R1133 PolarHBondContact N-O 2.86Å; D1128-R1133 PolarHBondContact O-N 3.24Å; D1128-V1135 HydrophobicContact CB-CG2 3.56Å |
| 1129 | C | 65.7 | Low | 72.5 | Confident | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.054 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -24.4 | -179.1 | -74 | 0 | 0 | 0 | 0 | 113.3 | H1112 I1114 D1523 Q1528 | H1112-C1129 PolarHBondContact O-N 3.42Å; I1114-C1129 WeakPolarHBondContact CD1-SG 3.35Å; C1129-D1523 HydrophobicContact CB-CB 4.19Å; C1129-Q1528 VanDerWaalsContact CB-OE1 3.29Å; C1129-Q1528 PolarHBondContact O-NE2 3.36Å; C1129-Q1528 PolarHBondContact SG-OE1 2.95Å |
| 1130 | Q | 64.8 | Low | 72.8 | Confident | 147 Ų | 147 | 64.9 Ų | 64.9 | 69% | 0.687 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -30.6 | -179.2 | -175.1 | 174.2 | -10.5 | 0 | 0 | 112.3 | H1112 D1128 | H1112-Q1130 HydrophobicContact CB-CB 4.46Å; H1112-Q1130 PolarHBondContact CD2-OE1 2.9Å; D1128-Q1130 VanDerWaalsContact C-N 3.25Å; D1128-Q1130 PolarHBondContact O-N 2.93Å; D1128-Q1130 WeakPolarHBondContact OD1-CA 3.49Å; D1128-Q1130 WeakPolarHBondContact OD1-CB 3.3Å; D1128-Q1130 PolarHBondContact OD1-N 2.71Å |
| 1131 | Q | 62.5 | Low | 73.2 | Confident | 122 Ų | 122 | 61 Ų | 61 | 57% | 0.57 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -7.4 | 175.3 | -64 | -174.4 | 68.6 | 0 | 0 | 113.9 | D1128 R1133 | D1128-Q1131 HydrophobicContact CB-CB 4.2Å; D1128-Q1131 PolarHBondContact O-N 3.1Å; D1128-Q1131 PolarHBondContact OD1-N 3Å; D1128-Q1131 PolarHBondContact OD2-NE2 2.91Å; Q1131-R1133 HydrophobicContact CB-CB 4.39Å; Q1131-R1133 WeakPolarHBondContact O-CG 3.4Å; Q1131-R1133 PolarHBondContact O-N 3.09Å |
| 1132 | E | 63.5 | Low | 73.3 | Confident | 88 Ų | 88 | 61.5 Ų | 61.5 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 27.1 | -173.3 | -52.5 | -155.4 | 140.9 | 0 | 0 | 114 | L1086 Y1127 D1128 Q1528 | L1086-E1132 WeakPolarHBondContact CD1-OE1 3.16Å; Y1127-E1132 VanDerWaalsContact OH-CA 3.29Å; Y1127-E1132 WeakPolarHBondContact OH-CA 3.41Å; Y1127-E1132 PolarHBondContact OH-O 2.93Å; D1128-E1132 WeakPolarHBondContact O-CA 3.43Å; D1128-E1132 PolarHBondContact O-N 2.95Å; E1132-Q1528 PolarHBondContact OE1-NE2 3.39Å |
| 1133 | R | 63.7 | Low | 73.2 | Confident | 170 Ų | 170 | 58.2 Ų | 58.2 | 64% | 0.642 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.8 | -172 | -75.8 | 171.7 | -176.9 | -163 | -0.6 | 112.9 | Y1127 D1128 Q1131 | Y1127-R1133 WeakPolarHBondContact CD2-O 3.35Å; D1128-R1133 PolarHBondContact N-O 2.86Å; D1128-R1133 PolarHBondContact O-N 3.24Å; Q1131-R1133 HydrophobicContact CB-CB 4.39Å; Q1131-R1133 WeakPolarHBondContact O-CG 3.4Å; Q1131-R1133 PolarHBondContact O-N 3.09Å |
| 1134 | E | 62.4 | Low | 73.2 | Confident | 134 Ų | 134 | 59.7 Ų | 59.7 | 63% | 0.626 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 136.3 | 164.8 | -172 | 168.2 | -164.9 | 0 | 0 | 109.7 | ||
| 1135 | V | 72.2 | Confident | 73.4 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 143.7 | -178.8 | 175 | 0 | 0 | 0 | 0 | 108.2 | R1126 D1128 C1137 | R1126-V1135 HydrophobicContact CB-CB 3.85Å; R1126-V1135 HydrophobicContact CB-CG1 4.31Å; R1126-V1135 PolarHBondContact O-N 3.37Å; D1128-V1135 HydrophobicContact CB-CG2 3.56Å; V1135-C1137 PolarHBondContact O-N 2.87Å |
| 1136 | P | 71.7 | Confident | 73.7 | Confident | 107 Ų | 107 | 59.2 Ų | 59.2 | 70% | 0.695 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -43.8 | 114.1 | 177.9 | -33.5 | 37.3 | 0 | 0 | 0 | 113.5 | R1126 | R1126-P1136 WeakPolarHBondContact CD-O 3.22Å; R1126-P1136 PolarHBondContact NH1-O 2.87Å |
| 1137 | C | 79.5 | Confident | 73.8 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 26% | 0.264 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 149.7 | -169.8 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | I1123 V1135 | I1123-C1137 HydrophobicContact CG2-CB 3.57Å; V1135-C1137 PolarHBondContact O-N 2.87Å |
| 1138 | W | 82.8 | Confident | 74 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 1% | 0.011 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 134.4 | -178.4 | -83.7 | -28.4 | 0 | 0 | 0 | 112.3 | L1101 L1110 L1115 I1123 I1124 R1126 I1170 D1173 G1176 V1178 | L1101-W1138 HydrophobicContact CD1-CH2 4.44Å; L1101-W1138 HydrophobicContact CD1-CZ3 4.39Å; L1110-W1138 HydrophobicContact CD1-CH2 3.88Å; L1110-W1138 HydrophobicContact CD1-CZ2 4.3Å; L1110-W1138 HydrophobicContact CD2-CH2 3.72Å; L1110-W1138 HydrophobicContact CD2-CZ2 3.8Å; L1110-W1138 HydrophobicContact CG-CH2 4.41Å; L1115-W1138 HydrophobicContact CD1-CZ3 4.16Å; L1115-W1138 HydrophobicContact CD2-CE3 4.02Å; L1115-W1138 HydrophobicContact CD2-CZ3 3.62Å; I1123-W1138 CarbonylContact C-O 3.54Å; I1123-W1138 WeakPolarHBondContact CA-O 3.36Å; I1124-W1138 HydrophobicContact CB-CB 4.19Å; I1124-W1138 PolarHBondContact N-O 3.23Å; I1124-W1138 PolarHBondContact O-N 3.1Å; R1126-W1138 HydrophobicContact CG-CD2 4.43Å; R1126-W1138 HydrophobicContact CG-CE3 4.2Å; R1126-W1138 VanDerWaalsContact CZ-CE2 3.44Å; R1126-W1138 VanDerWaalsContact CZ-CZ2 3.48Å; R1126-W1138 VanDerWaalsContact NH1-NE1 3.19Å; W1138-I1170 HydrophobicContact CE3-CG2 4.17Å; W1138-I1170 HydrophobicContact CH2-CG2 3.34Å; W1138-I1170 HydrophobicContact CZ2-CG2 4.16Å; W1138-I1170 HydrophobicContact CZ3-CG2 3.34Å; W1138-D1173 PolarHBondContact NE1-OD2 2.9Å; W1138-G1176 WeakPolarHBondContact CA-O 3.35Å; W1138-V1178 HydrophobicContact CB-CG2 3.55Å; W1138-V1178 HydrophobicContact CD2-CG2 3.69Å; W1138-V1178 HydrophobicContact CE3-CG2 4.27Å; W1138-V1178 HydrophobicContact CG-CG2 3.35Å |
| 1139 | K | 80.9 | Confident | 73.9 | Confident | 135 Ų | 135 | 61.9 Ų | 61.9 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.8 | 170 | -66.3 | 171.4 | -178.1 | 168 | 0 | 110.1 | G1176 V1178 | K1139-G1176 PolarHBondContact N-O 2.77Å; K1139-V1178 PolarHBondContact O-N 2.96Å |
| 1140 | S | 80.6 | Confident | 74.1 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 12% | 0.119 | 31% | 0.309 | C | S | . | . | trans | -137.1 | -168.5 | 175.4 | 76.4 | 0 | 0 | 0 | 0 | 110.4 | K1117 P1122 I1156 | K1117-S1140 PolarHBondContact NZ-OG 3.43Å; P1122-S1140 WeakPolarHBondContact CB-O 3.35Å; P1122-S1140 CarbonylContact O-C 3.55Å; P1122-S1140 PolarHBondContact O-N 3.16Å; P1122-S1140 PolarHBondContact O-OG 2.66Å; P1122-S1140 VanDerWaalsContact O-OG 3.07Å; S1140-I1156 WeakPolarHBondContact OG-CD1 3.47Å | ||
| 1141 | S | 77.9 | Confident | 74.4 | Confident | 20 Ų | 20 | 56 Ų | 56 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | trans | -73.2 | 161.2 | 161.8 | 73.6 | 0 | 0 | 0 | 0 | 111.9 | K1117 I1156 K1166 | K1117-S1141 WeakPolarHBondContact CE-O 3.48Å; K1117-S1141 PolarHBondContact NZ-O 3.26Å; S1141-I1156 WeakPolarHBondContact OG-CG2 3.47Å; S1141-K1166 WeakPolarHBondContact OG-CD 3.41Å | ||
| 1142 | S | 74.9 | Confident | 75.1 | Confident | 34 Ų | 34 | 52.9 Ų | 52.9 | 24% | 0.238 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -65.9 | 158.6 | 159.9 | 46.5 | 0 | 0 | 0 | 0 | 110.7 | I1156 | S1142-I1156 VanDerWaalsContact O-CG2 3.24Å; S1142-I1156 WeakPolarHBondContact O-CG2 3.41Å |
| 1143 | G | 75.2 | Confident | 76 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 122 | 179.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | L1096 K1117 L1145 I1157 | L1096-G1143 VanDerWaalsContact CD2-C 3.47Å; L1096-G1143 WeakPolarHBondContact CD2-O 3.33Å; K1117-G1143 WeakPolarHBondContact CG-O 3.46Å; G1143-L1145 PolarHBondContact O-N 3.44Å; G1143-I1157 CarbonylContact C-O 3.53Å; G1143-I1157 WeakPolarHBondContact CA-O 3.49Å |
| 1144 | Y | 79.9 | Confident | 77 | Confident | 83 Ų | 83 | 41.8 Ų | 41.8 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 112.3 | -177.3 | -75.2 | -90.4 | 0 | 0 | 0 | 111.6 | L1096 Y1146 I1156 I1157 E1159 | L1096-Y1144 HydrophobicContact CD1-CD1 3.91Å; L1096-Y1144 HydrophobicContact CD1-CD2 4.46Å; L1096-Y1144 HydrophobicContact CD1-CE1 3.46Å; L1096-Y1144 VanDerWaalsContact CD1-CE1 3.46Å; L1096-Y1144 HydrophobicContact CD1-CE2 4.07Å; L1096-Y1144 HydrophobicContact CD1-CG 4.39Å; L1096-Y1144 HydrophobicContact CD2-CD1 4.3Å; L1096-Y1144 HydrophobicContact CD2-CD2 4.44Å; L1096-Y1144 HydrophobicContact CD2-CG 4.2Å; L1096-Y1144 HydrophobicContact CG-CD1 3.83Å; L1096-Y1144 HydrophobicContact CG-CE1 3.92Å; L1096-Y1144 HydrophobicContact CG-CG 4.24Å; Y1144-Y1146 WeakPolarHBondContact O-CD2 3.5Å; Y1144-I1156 WeakPolarHBondContact O-CA 3.39Å; Y1144-I1157 PolarHBondContact N-O 2.82Å; Y1144-I1157 PolarHBondContact O-N 2.9Å; Y1144-E1159 HydrophobicContact CE2-CG 4.21Å |
| 1145 | L | 85.1 | Confident | 78.1 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 125.3 | 177 | 179.1 | 64.9 | 0 | 0 | 0 | 112.5 | N1097 L1115 K1117 I1124 G1143 L1147 A1154 I1156 | N1097-L1145 PolarHBondContact ND2-O 2.97Å; L1115-L1145 HydrophobicContact CB-CD2 4.23Å; L1115-L1145 HydrophobicContact CD1-CD2 4.36Å; K1117-L1145 HydrophobicContact CB-CB 4.14Å; K1117-L1145 HydrophobicContact CB-CD2 4.46Å; K1117-L1145 HydrophobicContact CG-CB 4.15Å; I1124-L1145 HydrophobicContact CD1-CD1 4.15Å; I1124-L1145 HydrophobicContact CD1-CD2 4.14Å; I1124-L1145 HydrophobicContact CG1-CD2 4.37Å; I1124-L1145 HydrophobicContact CG2-CD2 4.32Å; G1143-L1145 PolarHBondContact O-N 3.44Å; L1145-L1147 HydrophobicContact CD1-CD2 4.03Å; L1145-L1147 HydrophobicContact CD2-CD2 4.49Å; L1145-L1147 HydrophobicContact CG-CD2 4.27Å; L1145-A1154 HydrophobicContact CD1-CB 3.66Å; L1145-I1156 HydrophobicContact CD1-CD1 4.44Å; L1145-I1156 HydrophobicContact CD1-CG1 4.1Å |
| 1146 | Y | 83.1 | Confident | 78.7 | Confident | 60 Ų | 60 | 34.4 Ų | 34.4 | 24% | 0.235 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 156.4 | 164.3 | -62.3 | -109 | 0 | 0 | 0 | 109.3 | Y1144 A1154 I1155 I1157 L1210 I1212 | Y1144-Y1146 WeakPolarHBondContact O-CD2 3.5Å; Y1146-A1154 CarbonylContact O-C 3.58Å; Y1146-A1154 WeakPolarHBondContact O-CA 3.28Å; Y1146-I1155 PolarHBondContact N-O 3.25Å; Y1146-I1155 PolarHBondContact O-N 3.06Å; Y1146-I1157 HydrophobicContact CE2-CD1 3.93Å; Y1146-L1210 HydrophobicContact CD1-CD2 3.79Å; Y1146-L1210 HydrophobicContact CD2-CD2 4.39Å; Y1146-L1210 HydrophobicContact CE1-CD2 4.05Å; Y1146-L1210 HydrophobicContact CG-CD2 3.99Å; Y1146-I1212 VanDerWaalsContact CB-CD1 3.48Å; Y1146-I1212 HydrophobicContact CG-CD1 4.34Å |
| 1147 | L | 79.1 | Confident | 79.2 | Confident | 27 Ų | 27 | 30.1 Ų | 30.1 | 14% | 0.141 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.8 | -179.7 | -54.9 | 176.6 | 0 | 0 | 0 | 109 | R1099 L1101 L1115 L1145 Y1153 A1154 I1170 | R1099-L1147 HydrophobicContact CB-CD1 3.62Å; R1099-L1147 HydrophobicContact CB-CG 4.31Å; R1099-L1147 HydrophobicContact CG-CD1 4.21Å; R1099-L1147 HydrophobicContact CG-CG 4.39Å; L1101-L1147 HydrophobicContact CD2-CD1 3.93Å; L1101-L1147 HydrophobicContact CG-CD1 4.41Å; L1115-L1147 HydrophobicContact CD1-CD1 4.21Å; L1115-L1147 HydrophobicContact CD1-CD2 4.08Å; L1145-L1147 HydrophobicContact CD1-CD2 4.03Å; L1145-L1147 HydrophobicContact CD2-CD2 4.49Å; L1145-L1147 HydrophobicContact CG-CD2 4.27Å; L1147-Y1153 WeakPolarHBondContact CA-O 3.48Å; L1147-A1154 HydrophobicContact CD2-CB 4.25Å; L1147-I1170 HydrophobicContact CD2-CD1 3.43Å; L1147-I1170 VanDerWaalsContact CD2-CD1 3.43Å |
| 1148 | T | 76.9 | Confident | 79 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | trans | -65.2 | 151.5 | 162.4 | 46.7 | 0 | 0 | 0 | 0 | 111 | N1150 G1151 K1152 Y1153 I1212 L1292 | T1148-N1150 VanDerWaalsContact CB-OD1 3.23Å; T1148-N1150 WeakPolarHBondContact CB-OD1 3.31Å; T1148-N1150 PolarHBondContact O-N 3.09Å; T1148-N1150 PolarHBondContact OG1-OD1 3.33Å; T1148-G1151 PolarHBondContact O-N 2.96Å; T1148-K1152 PolarHBondContact OG1-N 2.86Å; T1148-Y1153 HydrophobicContact CG2-CD2 4.16Å; T1148-Y1153 PolarHBondContact N-O 3.24Å; T1148-Y1153 PolarHBondContact OG1-N 2.61Å; T1148-Y1153 PolarHBondContact OG1-O 2.89Å; T1148-I1212 HydrophobicContact CG2-CG2 3.63Å; T1148-L1292 HydrophobicContact CG2-CD1 3.67Å | ||
| 1149 | P | 70.4 | Confident | 78.3 | Confident | 78 Ų | 78 | 29.8 Ų | 29.8 | 51% | 0.506 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -35.3 | 175.1 | -23.4 | 31.3 | 0 | 0 | 0 | 113.2 | G1151 D1214 | P1149-G1151 PolarHBondContact O-N 3.48Å; P1149-D1214 VanDerWaalsContact CB-OD1 3.31Å; P1149-D1214 WeakPolarHBondContact CB-OD1 3.21Å; P1149-D1214 VanDerWaalsContact CD-OD1 3.23Å; P1149-D1214 WeakPolarHBondContact CD-OD1 3.5Å |
| 1150 | N | 69 | Low | 77.5 | Confident | 24 Ų | 24 | 31 Ų | 31 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -1 | 174.4 | 65 | 26.5 | 0 | 0 | 0 | 115.4 | Q1103 T1148 K1152 D1214 | Q1103-N1150 VanDerWaalsContact CD-O 3.25Å; Q1103-N1150 WeakPolarHBondContact CG-O 3.42Å; Q1103-N1150 VanDerWaalsContact NE2-CA 3.32Å; Q1103-N1150 VanDerWaalsContact NE2-CB 3.34Å; Q1103-N1150 PolarHBondContact NE2-O 3.32Å; T1148-N1150 VanDerWaalsContact CB-OD1 3.23Å; T1148-N1150 WeakPolarHBondContact CB-OD1 3.31Å; T1148-N1150 PolarHBondContact O-N 3.09Å; T1148-N1150 PolarHBondContact OG1-OD1 3.33Å; N1150-K1152 PolarHBondContact O-N 3.13Å; N1150-K1152 WeakPolarHBondContact OD1-CB 3.42Å; N1150-K1152 PolarHBondContact OD1-N 2.86Å; N1150-D1214 VanDerWaalsContact CB-OD1 3.23Å; N1150-D1214 WeakPolarHBondContact CB-OD1 3.43Å; N1150-D1214 PolarHBondContact N-OD1 2.9Å; N1150-D1214 WeakPolarHBondContact ND2-CB 3.29Å; N1150-D1214 VanDerWaalsContact ND2-CG 3.34Å; N1150-D1214 PolarHBondContact ND2-OD1 2.84Å |
| 1151 | G | 71.3 | Confident | 76.7 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 67.7 | 0.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | T1148 P1149 | T1148-G1151 PolarHBondContact O-N 2.96Å; P1149-G1151 PolarHBondContact O-N 3.48Å |
| 1152 | K | 77.7 | Confident | 76.2 | Confident | 57 Ų | 57 | 40.3 Ų | 40.3 | 25% | 0.248 | 19% | 0.191 | C | C | . | . | trans | -73.9 | -37.5 | -173.5 | -162.5 | -179.9 | 178.7 | -164.3 | 0 | 113.6 | W1108 T1148 N1150 I1170 D1171 | W1108-K1152 HydrophobicContact CH2-CB 3.92Å; W1108-K1152 HydrophobicContact CH2-CD 4.35Å; W1108-K1152 HydrophobicContact CH2-CG 3.92Å; W1108-K1152 HydrophobicContact CZ3-CB 4.27Å; W1108-K1152 HydrophobicContact CZ3-CG 4.46Å; T1148-K1152 PolarHBondContact OG1-N 2.86Å; N1150-K1152 PolarHBondContact O-N 3.13Å; N1150-K1152 WeakPolarHBondContact OD1-CB 3.42Å; N1150-K1152 PolarHBondContact OD1-N 2.86Å; K1152-I1170 PolarHBondContact O-N 2.94Å; K1152-D1171 WeakPolarHBondContact CE-OD1 3.28Å; K1152-D1171 WeakPolarHBondContact CE-OD2 3.22Å; K1152-D1171 HydrophobicContact CG-CB 4.31Å; K1152-D1171 WeakPolarHBondContact CG-OD1 3.31Å | ||
| 1153 | Y | 82.7 | Confident | 76.1 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 9% | 0.086 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.8 | -171.8 | -55.2 | -52.2 | 0 | 0 | 0 | 111.5 | L1147 T1148 H1168 Q1169 I1181 | L1147-Y1153 WeakPolarHBondContact CA-O 3.48Å; T1148-Y1153 HydrophobicContact CG2-CD2 4.16Å; T1148-Y1153 PolarHBondContact N-O 3.24Å; T1148-Y1153 PolarHBondContact OG1-N 2.61Å; T1148-Y1153 PolarHBondContact OG1-O 2.89Å; Y1153-H1168 CarbonylContact C-O 3.56Å; Y1153-H1168 WeakPolarHBondContact CA-O 3.42Å; Y1153-Q1169 HydrophobicContact CD1-CG 4.29Å; Y1153-Q1169 HydrophobicContact CE1-CG 4.1Å; Y1153-I1181 HydrophobicContact CD1-CD1 3.41Å; Y1153-I1181 VanDerWaalsContact CD1-CD1 3.41Å; Y1153-I1181 HydrophobicContact CE1-CD1 3.29Å; Y1153-I1181 HydrophobicContact CG-CD1 4.46Å |
| 1154 | A | 84 | Confident | 76.1 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 128.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | L1145 Y1146 L1147 I1167 H1168 I1170 | L1145-A1154 HydrophobicContact CD1-CB 3.66Å; Y1146-A1154 CarbonylContact O-C 3.58Å; Y1146-A1154 WeakPolarHBondContact O-CA 3.28Å; L1147-A1154 HydrophobicContact CD2-CB 4.25Å; A1154-I1167 CarbonylContact O-C 3.59Å; A1154-I1167 WeakPolarHBondContact O-CA 3.5Å; A1154-H1168 HydrophobicContact CB-CB 4.14Å; A1154-H1168 PolarHBondContact N-O 3.23Å; A1154-H1168 PolarHBondContact O-N 2.77Å; A1154-I1170 HydrophobicContact CB-CD1 3.55Å; A1154-I1170 HydrophobicContact CB-CG1 3.75Å |
| 1155 | I | 84.7 | Confident | 76.3 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 123.6 | 171.1 | -49.6 | -173.4 | 0 | 0 | 0 | 107.8 | Y1146 L1165 K1166 L1210 I1212 V1217 L1292 | Y1146-I1155 PolarHBondContact N-O 3.25Å; Y1146-I1155 PolarHBondContact O-N 3.06Å; I1155-L1165 HydrophobicContact CG2-CD2 3.53Å; I1155-K1166 CarbonylContact C-O 3.5Å; I1155-K1166 WeakPolarHBondContact CA-O 3.49Å; I1155-L1210 HydrophobicContact CG2-CD1 4.4Å; I1155-I1212 HydrophobicContact CB-CD1 4.29Å; I1155-I1212 HydrophobicContact CD1-CD1 3.59Å; I1155-I1212 HydrophobicContact CD1-CG1 3.95Å; I1155-I1212 HydrophobicContact CG1-CD1 4.02Å; I1155-V1217 HydrophobicContact CD1-CB 3.93Å; I1155-V1217 HydrophobicContact CD1-CG1 4.43Å; I1155-V1217 HydrophobicContact CD1-CG2 3.73Å; I1155-L1292 HydrophobicContact CD1-CD2 3.74Å |
| 1156 | I | 85.7 | Confident | 76.3 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 118.1 | -179.9 | -51 | -178.2 | 0 | 0 | 0 | 109.2 | S1140 S1141 S1142 Y1144 L1145 K1166 | S1140-I1156 WeakPolarHBondContact OG-CD1 3.47Å; S1141-I1156 WeakPolarHBondContact OG-CG2 3.47Å; S1142-I1156 VanDerWaalsContact O-CG2 3.24Å; S1142-I1156 WeakPolarHBondContact O-CG2 3.41Å; Y1144-I1156 WeakPolarHBondContact O-CA 3.39Å; L1145-I1156 HydrophobicContact CD1-CD1 4.44Å; L1145-I1156 HydrophobicContact CD1-CG1 4.1Å; I1156-K1166 PolarHBondContact N-O 3.32Å; I1156-K1166 PolarHBondContact O-N 2.99Å |
| 1157 | I | 82.5 | Confident | 76.5 | Confident | 16 Ų | 16 | 36.5 Ų | 36.5 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 116.9 | 167.7 | -61.3 | 168.9 | 0 | 0 | 0 | 107.5 | G1143 Y1144 Y1146 E1159 L1165 I1207 L1210 | G1143-I1157 CarbonylContact C-O 3.53Å; G1143-I1157 WeakPolarHBondContact CA-O 3.49Å; Y1144-I1157 PolarHBondContact N-O 2.82Å; Y1144-I1157 PolarHBondContact O-N 2.9Å; Y1146-I1157 HydrophobicContact CE2-CD1 3.93Å; I1157-E1159 PolarHBondContact O-N 3.05Å; I1157-L1165 HydrophobicContact CD1-CD2 4.3Å; I1157-L1165 HydrophobicContact CG1-CD2 3.46Å; I1157-L1165 VanDerWaalsContact CG1-CD2 3.46Å; I1157-L1165 HydrophobicContact CG1-CG 4.42Å; I1157-I1207 HydrophobicContact CD1-CG2 4.02Å; I1157-I1207 HydrophobicContact CG2-CD1 4.43Å; I1157-L1210 HydrophobicContact CD1-CB 4.46Å; I1157-L1210 HydrophobicContact CD1-CD1 4.22Å |
| 1158 | D | 74.1 | Confident | 76.8 | Confident | 11 Ų | 11 | 35.8 Ų | 35.8 | 6% | 0.059 | 17% | 0.171 | C | C | . | . | trans | -64.4 | 130.7 | 177.9 | -167.7 | -51.3 | 0 | 0 | 0 | 110.4 | E1160 K1161 R1162 T1164 K1166 | D1158-E1160 PolarHBondContact OD1-N 3.25Å; D1158-K1161 HydrophobicContact CB-CB 4.07Å; D1158-K1161 CarbonylContact O-C 3.59Å; D1158-K1161 PolarHBondContact OD1-N 2.98Å; D1158-R1162 WeakPolarHBondContact O-CA 3.25Å; D1158-R1162 PolarHBondContact O-N 2.8Å; D1158-T1164 PolarHBondContact N-O 3.48Å; D1158-K1166 IonicContact OD2-NZ 2.73Å; D1158-K1166 PolarHBondContact OD2-NZ 2.76Å | ||
| 1159 | E | 67.7 | Low | 77.1 | Confident | 25 Ų | 25 | 37.4 Ų | 37.4 | 12% | 0.117 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -79.2 | -24.7 | -173.5 | -161.4 | 176.6 | 165.8 | 0 | 0 | 112.6 | R1119 Y1144 I1157 | R1119-E1159 WeakPolarHBondContact CG-OE2 3.45Å; R1119-E1159 IonicContact CZ-OE1 3.52Å; R1119-E1159 IonicContact NE-OE1 2.72Å; R1119-E1159 PolarHBondContact NE-OE1 3.47Å; R1119-E1159 IonicContact NE-OE2 3.5Å; R1119-E1159 IonicContact NH2-OE1 3.59Å; R1119-E1159 PolarHBondContact NH2-OE1 2.9Å; Y1144-E1159 HydrophobicContact CE2-CG 4.21Å; I1157-E1159 PolarHBondContact O-N 3.05Å |
| 1160 | E | 65.8 | Low | 77.6 | Confident | 159 Ų | 159 | 33.9 Ų | 33.9 | 74% | 0.743 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -87.4 | -39.9 | 172.6 | -62.2 | -179.4 | 179.3 | 0 | 0 | 110.7 | D1158 | D1158-E1160 PolarHBondContact OD1-N 3.25Š|
| 1161 | K | 63.8 | Low | 77.8 | Confident | 128 Ų | 128 | 35.8 Ų | 35.8 | 56% | 0.557 | 17% | 0.166 | S | C | * | . | trans | -110.1 | 67.5 | -179.8 | -66.5 | -171.4 | -179.8 | -177.8 | 0 | 112.2 | D1158 D1163 T1164 | D1158-K1161 HydrophobicContact CB-CB 4.07Å; D1158-K1161 CarbonylContact O-C 3.59Å; D1158-K1161 PolarHBondContact OD1-N 2.98Å; K1161-D1163 WeakPolarHBondContact CA-OD1 3.27Å; K1161-D1163 WeakPolarHBondContact CB-OD1 3.24Å; K1161-D1163 PolarHBondContact O-N 3.02Å; K1161-T1164 HydrophobicContact CB-CG2 4.42Å; K1161-T1164 PolarHBondContact O-N 2.81Å; K1161-T1164 PolarHBondContact O-OG1 3.42Å | ||
| 1162 | R | 67.6 | Low | 77.7 | Confident | 106 Ų | 106 | 38.8 Ų | 38.8 | 40% | 0.4 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -3.8 | -178.6 | -64.2 | -179.2 | 168.6 | -152.4 | -7.3 | 115.1 | D1158 T1164 D1206 I1207 | D1158-R1162 WeakPolarHBondContact O-CA 3.25Å; D1158-R1162 PolarHBondContact O-N 2.8Å; R1162-T1164 VanDerWaalsContact C-N 3.32Å; R1162-D1206 WeakPolarHBondContact CD-OD1 3.48Å; R1162-D1206 IonicContact NE-OD1 2.73Å; R1162-D1206 IonicContact NH1-OD1 2.77Å; R1162-D1206 PolarHBondContact NH1-OD1 3.11Å; R1162-I1207 WeakPolarHBondContact O-CD1 3.41Å; R1162-I1207 WeakPolarHBondContact O-CG1 3.44Å; R1162-I1207 PolarHBondContact O-N 2.92Å; R1162-I1207 VanDerWaalsContact O-N 3.1Å |
| 1163 | D | 71.6 | Confident | 77.3 | Confident | 46 Ų | 46 | 39.8 Ų | 39.8 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -2.5 | 167.3 | 64.6 | -46.3 | 0 | 0 | 0 | 113.2 | K1161 P1186 M1205 | K1161-D1163 WeakPolarHBondContact CA-OD1 3.27Å; K1161-D1163 WeakPolarHBondContact CB-OD1 3.24Å; K1161-D1163 PolarHBondContact O-N 3.02Å; D1163-P1186 VanDerWaalsContact O-CD 3.23Å; D1163-P1186 WeakPolarHBondContact O-CD 3.5Å; D1163-P1186 WeakPolarHBondContact O-CG 3.3Å; D1163-M1205 HydrophobicContact CB-CB 3.93Å |
| 1164 | T | 76.3 | Confident | 76.5 | Confident | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | trans | -128.3 | 137.9 | -173 | 67.2 | 0 | 0 | 0 | 0 | 115.2 | D1158 K1161 R1162 | D1158-T1164 PolarHBondContact N-O 3.48Å; K1161-T1164 HydrophobicContact CB-CG2 4.42Å; K1161-T1164 PolarHBondContact O-N 2.81Å; K1161-T1164 PolarHBondContact O-OG1 3.42Å; R1162-T1164 VanDerWaalsContact C-N 3.32Å | ||
| 1165 | L | 82.3 | Confident | 75.6 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.1 | 175.4 | -79.4 | 155.1 | 0 | 0 | 0 | 109.8 | I1155 I1157 Q1183 I1184 I1207 L1210 F1219 | I1155-L1165 HydrophobicContact CG2-CD2 3.53Å; I1157-L1165 HydrophobicContact CD1-CD2 4.3Å; I1157-L1165 HydrophobicContact CG1-CD2 3.46Å; I1157-L1165 VanDerWaalsContact CG1-CD2 3.46Å; I1157-L1165 HydrophobicContact CG1-CG 4.42Å; L1165-Q1183 CarbonylContact O-C 3.45Å; L1165-Q1183 VanDerWaalsContact O-CA 3.25Å; L1165-Q1183 WeakPolarHBondContact O-CA 3.3Å; L1165-Q1183 WeakPolarHBondContact O-CG 3.46Å; L1165-I1184 HydrophobicContact CB-CB 4.12Å; L1165-I1184 PolarHBondContact N-O 3.41Å; L1165-I1184 PolarHBondContact O-N 3.16Å; L1165-I1207 HydrophobicContact CD1-CD1 3.68Å; L1165-I1207 HydrophobicContact CD2-CD1 4.18Å; L1165-I1207 HydrophobicContact CG-CD1 3.56Å; L1165-L1210 HydrophobicContact CD1-CD1 4.39Å; L1165-L1210 HydrophobicContact CD2-CD1 3.39Å; L1165-F1219 HydrophobicContact CD1-CD1 3.65Å; L1165-F1219 HydrophobicContact CD1-CD2 3.87Å; L1165-F1219 HydrophobicContact CD1-CE1 3.44Å; L1165-F1219 VanDerWaalsContact CD1-CE1 3.44Å; L1165-F1219 HydrophobicContact CD1-CE2 3.67Å; L1165-F1219 HydrophobicContact CD1-CG 3.86Å; L1165-F1219 HydrophobicContact CD1-CZ 3.46Å; L1165-F1219 VanDerWaalsContact CD1-CZ 3.46Å |
| 1166 | K | 85.6 | Confident | 74.8 | Confident | 36 Ų | 36 | 51 Ų | 51 | 16% | 0.157 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.2 | -178.7 | -67.3 | 164.9 | -175.9 | 173.4 | 0 | 109.8 | S1141 I1155 I1156 D1158 L1180 Q1183 | S1141-K1166 WeakPolarHBondContact OG-CD 3.41Å; I1155-K1166 CarbonylContact C-O 3.5Å; I1155-K1166 WeakPolarHBondContact CA-O 3.49Å; I1156-K1166 PolarHBondContact N-O 3.32Å; I1156-K1166 PolarHBondContact O-N 2.99Å; D1158-K1166 IonicContact OD2-NZ 2.73Å; D1158-K1166 PolarHBondContact OD2-NZ 2.76Å; K1166-L1180 HydrophobicContact CB-CD1 3.84Å; K1166-L1180 HydrophobicContact CG-CD1 4.46Å; K1166-Q1183 HydrophobicContact CG-CG 4.21Å |
| 1167 | I | 86.8 | Confident | 74.3 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 112.2 | -176.5 | -55.7 | 173.1 | 0 | 0 | 0 | 109.2 | A1154 L1180 I1181 G1182 I1184 L1292 | A1154-I1167 CarbonylContact O-C 3.59Å; A1154-I1167 WeakPolarHBondContact O-CA 3.5Å; I1167-L1180 WeakPolarHBondContact O-CD1 3.5Å; I1167-I1181 HydrophobicContact CG2-CD1 4.16Å; I1167-I1181 PolarHBondContact O-N 3.41Å; I1167-G1182 PolarHBondContact N-O 3.06Å; I1167-G1182 PolarHBondContact O-N 3.19Å; I1167-I1184 HydrophobicContact CD1-CD1 3.88Å; I1167-I1184 HydrophobicContact CD1-CG1 4.19Å; I1167-L1292 HydrophobicContact CD1-CD2 3.94Å |
| 1168 | H | 86.6 | Confident | 74.2 | Confident | 13 Ų | 13 | 53.2 Ų | 53.2 | 6% | 0.06 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 146.3 | 179.1 | -72.5 | -95.4 | 0 | 0 | 0 | 111.3 | Y1153 A1154 V1178 P1179 | Y1153-H1168 CarbonylContact C-O 3.56Å; Y1153-H1168 WeakPolarHBondContact CA-O 3.42Å; A1154-H1168 HydrophobicContact CB-CB 4.14Å; A1154-H1168 PolarHBondContact N-O 3.23Å; A1154-H1168 PolarHBondContact O-N 2.77Å; H1168-V1178 HydrophobicContact CB-CG1 3.92Å; H1168-V1178 PolarHBondContact ND1-O 3.44Å; H1168-P1179 CarbonylContact C-O 3.59Å; H1168-P1179 VanDerWaalsContact CA-O 3.29Å; H1168-P1179 WeakPolarHBondContact CA-O 3.44Å |
| 1169 | Q | 83.8 | Confident | 74.5 | Confident | 37 Ų | 37 | 54.5 Ų | 54.5 | 17% | 0.173 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 113.5 | 177.1 | -168.8 | 165.1 | -5.7 | 0 | 0 | 111.5 | Y1153 D1171 I1172 V1178 P1179 I1181 | Y1153-Q1169 HydrophobicContact CD1-CG 4.29Å; Y1153-Q1169 HydrophobicContact CE1-CG 4.1Å; Q1169-D1171 VanDerWaalsContact CD-OD1 3.31Å; Q1169-D1171 WeakPolarHBondContact CG-OD1 3.46Å; Q1169-D1171 VanDerWaalsContact NE2-CG 3.33Å; Q1169-D1171 PolarHBondContact NE2-OD1 2.7Å; Q1169-D1171 PolarHBondContact NE2-OD2 3.18Å; Q1169-D1171 VanDerWaalsContact NE2-OD2 3.16Å; Q1169-I1172 HydrophobicContact CG-CD1 4.35Å; Q1169-I1172 HydrophobicContact CG-CG1 4.28Å; Q1169-V1178 WeakPolarHBondContact O-CG1 3.32Å; Q1169-P1179 HydrophobicContact CB-CG 4.32Å; Q1169-P1179 PolarHBondContact N-O 3.18Å; Q1169-I1181 HydrophobicContact CB-CD1 3.76Å; Q1169-I1181 HydrophobicContact CB-CG1 3.77Å; Q1169-I1181 HydrophobicContact CG-CD1 4.32Å |
| 1170 | I | 80.2 | Confident | 75.3 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -24.4 | -172.2 | -40.4 | 179.7 | 0 | 0 | 0 | 112.5 | L1110 W1138 L1147 K1152 A1154 I1172 | L1110-I1170 HydrophobicContact CD1-CG2 4.24Å; W1138-I1170 HydrophobicContact CE3-CG2 4.17Å; W1138-I1170 HydrophobicContact CH2-CG2 3.34Å; W1138-I1170 HydrophobicContact CZ2-CG2 4.16Å; W1138-I1170 HydrophobicContact CZ3-CG2 3.34Å; L1147-I1170 HydrophobicContact CD2-CD1 3.43Å; L1147-I1170 VanDerWaalsContact CD2-CD1 3.43Å; K1152-I1170 PolarHBondContact O-N 2.94Å; A1154-I1170 HydrophobicContact CB-CD1 3.55Å; A1154-I1170 HydrophobicContact CB-CG1 3.75Å; I1170-I1172 PolarHBondContact O-N 3.22Å; I1170-I1172 VanDerWaalsContact O-N 3.1Å |
| 1171 | D | 72.5 | Confident | 76 | Confident | 63 Ų | 63 | 54.1 Ų | 54.1 | 34% | 0.337 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 3 | 176.4 | 61.4 | -48.4 | 0 | 0 | 0 | 113.9 | W1108 K1152 Q1169 | W1108-D1171 HydrophobicContact CH2-CB 4.11Å; W1108-D1171 HydrophobicContact CZ3-CB 3.83Å; K1152-D1171 WeakPolarHBondContact CE-OD1 3.28Å; K1152-D1171 WeakPolarHBondContact CE-OD2 3.22Å; K1152-D1171 HydrophobicContact CG-CB 4.31Å; K1152-D1171 WeakPolarHBondContact CG-OD1 3.31Å; Q1169-D1171 VanDerWaalsContact CD-OD1 3.31Å; Q1169-D1171 WeakPolarHBondContact CG-OD1 3.46Å; Q1169-D1171 VanDerWaalsContact NE2-CG 3.33Å; Q1169-D1171 PolarHBondContact NE2-OD1 2.7Å; Q1169-D1171 PolarHBondContact NE2-OD2 3.18Å; Q1169-D1171 VanDerWaalsContact NE2-OD2 3.16Å |
| 1172 | I | 69.5 | Low | 76.6 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | trans | -131.8 | 123.4 | 176.9 | -53.3 | -179 | 0 | 0 | 0 | 109.5 | Q1169 I1170 I1174 P1179 | Q1169-I1172 HydrophobicContact CG-CD1 4.35Å; Q1169-I1172 HydrophobicContact CG-CG1 4.28Å; I1170-I1172 PolarHBondContact O-N 3.22Å; I1170-I1172 VanDerWaalsContact O-N 3.1Å; I1172-I1174 HydrophobicContact CG2-CD1 4.27Å; I1172-I1174 HydrophobicContact CG2-CG1 3.95Å; I1172-P1179 HydrophobicContact CB-CG 4.16Å; I1172-P1179 HydrophobicContact CG2-CG 4.24Å; I1172-P1179 VanDerWaalsContact O-CD 3.25Å; I1172-P1179 WeakPolarHBondContact O-CD 3.34Å | ||
| 1173 | D | 69.4 | Low | 77.3 | Confident | 77 Ų | 77 | 48.9 Ų | 48.9 | 41% | 0.412 | 27% | 0.269 | S | S | . | . | trans | -108.9 | 127.4 | 172.7 | -165.2 | -33.8 | 0 | 0 | 0 | 108.8 | R1126 W1138 G1176 | R1126-D1173 IonicContact NH1-OD2 2.67Å; W1138-D1173 PolarHBondContact NE1-OD2 2.9Å; D1173-G1176 VanDerWaalsContact OD1-CA 3.28Å; D1173-G1176 WeakPolarHBondContact OD1-CA 3.46Å; D1173-G1176 PolarHBondContact OD1-N 2.97Å | ||
| 1174 | I | 65.1 | Low | 77.6 | Confident | 97 Ų | 97 | 47.4 Ų | 47.4 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | B | Isolated β-bridge | trans | -124.5 | 97.7 | 176.8 | -52.2 | 179.9 | 0 | 0 | 0 | 107.6 | I1172 G1176 C1177 P1179 | I1172-I1174 HydrophobicContact CG2-CD1 4.27Å; I1172-I1174 HydrophobicContact CG2-CG1 3.95Å; I1174-G1176 VanDerWaalsContact C-N 3.26Å; I1174-G1176 PolarHBondContact O-N 3.03Å; I1174-C1177 PolarHBondContact N-O 3.46Å; I1174-C1177 VanDerWaalsContact N-O 3.1Å; I1174-C1177 WeakPolarHBondContact O-CB 3.31Å; I1174-C1177 PolarHBondContact O-N 3.44Å; I1174-P1179 HydrophobicContact CD1-CB 4.35Å; I1174-P1179 HydrophobicContact CD1-CG 4.22Å |
| 1175 | N | 65.9 | Low | 77.6 | Confident | 146 Ų | 146 | 49 Ų | 49 | 78% | 0.781 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 40.9 | -179.7 | -60.8 | 11.4 | 0 | 0 | 0 | 113.6 | C1177 | N1175-C1177 VanDerWaalsContact C-N 3.31Å; N1175-C1177 PolarHBondContact O-N 2.99Å |
| 1176 | G | 67.5 | Low | 77.2 | Confident | 19 Ų | 19 | 49 Ų | 49 | 20% | 0.196 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 5.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | W1138 K1139 D1173 I1174 | W1138-G1176 WeakPolarHBondContact CA-O 3.35Å; K1139-G1176 PolarHBondContact N-O 2.77Å; D1173-G1176 VanDerWaalsContact OD1-CA 3.28Å; D1173-G1176 WeakPolarHBondContact OD1-CA 3.46Å; D1173-G1176 PolarHBondContact OD1-N 2.97Å; I1174-G1176 VanDerWaalsContact C-N 3.26Å; I1174-G1176 PolarHBondContact O-N 3.03Å |
| 1177 | C | 75.1 | Confident | 76.4 | Confident | 55 Ų | 55 | 48 Ų | 48 | 37% | 0.372 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -105.4 | 135.8 | 174.4 | -63.8 | 0 | 0 | 0 | 0 | 111 | I1174 N1175 | I1174-C1177 PolarHBondContact N-O 3.46Å; I1174-C1177 VanDerWaalsContact N-O 3.1Å; I1174-C1177 WeakPolarHBondContact O-CB 3.31Å; I1174-C1177 PolarHBondContact O-N 3.44Å; N1175-C1177 VanDerWaalsContact C-N 3.31Å; N1175-C1177 PolarHBondContact O-N 2.99Å |
| 1178 | V | 80.4 | Confident | 75.6 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | trans | -96.3 | 111.5 | 179.3 | -172 | 0 | 0 | 0 | 0 | 108.7 | W1138 K1139 H1168 Q1169 L1180 | W1138-V1178 HydrophobicContact CB-CG2 3.55Å; W1138-V1178 HydrophobicContact CD2-CG2 3.69Å; W1138-V1178 HydrophobicContact CE3-CG2 4.27Å; W1138-V1178 HydrophobicContact CG-CG2 3.35Å; K1139-V1178 PolarHBondContact O-N 2.96Å; H1168-V1178 HydrophobicContact CB-CG1 3.92Å; H1168-V1178 PolarHBondContact ND1-O 3.44Å; Q1169-V1178 WeakPolarHBondContact O-CG1 3.32Å; V1178-L1180 PolarHBondContact O-N 3.43Å | ||
| 1179 | P | 81.4 | Confident | 74.8 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 25% | 0.253 | 31% | 0.312 | S | S | . | . | trans | -64 | 137 | -169 | 21.8 | -30.3 | 0 | 0 | 0 | 112.8 | H1168 Q1169 I1172 I1174 | H1168-P1179 CarbonylContact C-O 3.59Å; H1168-P1179 VanDerWaalsContact CA-O 3.29Å; H1168-P1179 WeakPolarHBondContact CA-O 3.44Å; Q1169-P1179 HydrophobicContact CB-CG 4.32Å; Q1169-P1179 PolarHBondContact N-O 3.18Å; I1172-P1179 HydrophobicContact CB-CG 4.16Å; I1172-P1179 HydrophobicContact CG2-CG 4.24Å; I1172-P1179 VanDerWaalsContact O-CD 3.25Å; I1172-P1179 WeakPolarHBondContact O-CD 3.34Å; I1174-P1179 HydrophobicContact CD1-CB 4.35Å; I1174-P1179 HydrophobicContact CD1-CG 4.22Å | ||
| 1180 | L | 83.4 | Confident | 74.1 | Confident | 90 Ų | 90 | 55.8 Ų | 55.8 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 117 | 175.5 | -176.6 | 76.1 | 0 | 0 | 0 | 109.3 | K1166 I1167 V1178 | K1166-L1180 HydrophobicContact CB-CD1 3.84Å; K1166-L1180 HydrophobicContact CG-CD1 4.46Å; I1167-L1180 WeakPolarHBondContact O-CD1 3.5Å; V1178-L1180 PolarHBondContact O-N 3.43Å |
| 1181 | I | 82 | Confident | 73.4 | Confident | 86 Ų | 86 | 58.1 Ų | 58.1 | 44% | 0.441 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | -40.5 | 176.3 | -50 | 173.8 | 0 | 0 | 0 | 110.3 | Y1153 I1167 Q1169 | Y1153-I1181 HydrophobicContact CD1-CD1 3.41Å; Y1153-I1181 VanDerWaalsContact CD1-CD1 3.41Å; Y1153-I1181 HydrophobicContact CE1-CD1 3.29Å; Y1153-I1181 HydrophobicContact CG-CD1 4.46Å; I1167-I1181 HydrophobicContact CG2-CD1 4.16Å; I1167-I1181 PolarHBondContact O-N 3.41Å; Q1169-I1181 HydrophobicContact CB-CD1 3.76Å; Q1169-I1181 HydrophobicContact CB-CG1 3.77Å; Q1169-I1181 HydrophobicContact CG-CD1 4.32Å |
| 1182 | G | 76.3 | Confident | 72.8 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 173.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I1167 | I1167-G1182 PolarHBondContact N-O 3.06Å; I1167-G1182 PolarHBondContact O-N 3.19Å |
| 1183 | Q | 81.2 | Confident | 72.5 | Confident | 97 Ų | 97 | 60.9 Ų | 60.9 | 45% | 0.453 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 124.2 | 178.7 | -179.8 | 179.4 | -28.6 | 0 | 0 | 109.5 | L1165 K1166 | L1165-Q1183 CarbonylContact O-C 3.45Å; L1165-Q1183 VanDerWaalsContact O-CA 3.25Å; L1165-Q1183 WeakPolarHBondContact O-CA 3.3Å; L1165-Q1183 WeakPolarHBondContact O-CG 3.46Å; K1166-Q1183 HydrophobicContact CG-CG 4.21Å |
| 1184 | I | 77.9 | Confident | 72.1 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 118 | 171.6 | -57.9 | 171.7 | 0 | 0 | 0 | 107.5 | L1165 I1167 V1217 F1219 F1290 | L1165-I1184 HydrophobicContact CB-CB 4.12Å; L1165-I1184 PolarHBondContact N-O 3.41Å; L1165-I1184 PolarHBondContact O-N 3.16Å; I1167-I1184 HydrophobicContact CD1-CD1 3.88Å; I1167-I1184 HydrophobicContact CD1-CG1 4.19Å; I1184-V1217 HydrophobicContact CD1-CG1 4.22Å; I1184-F1219 HydrophobicContact CG2-CE1 4.35Å; I1184-F1219 HydrophobicContact CG2-CZ 3.88Å; I1184-F1290 HydrophobicContact CD1-CB 3.92Å; I1184-F1290 HydrophobicContact CD1-CD1 4.04Å; I1184-F1290 HydrophobicContact CD1-CD2 4.13Å; I1184-F1290 HydrophobicContact CD1-CG 3.8Å; I1184-F1290 HydrophobicContact CG1-CD1 4.42Å; I1184-F1290 HydrophobicContact CG2-CD1 4.42Å; I1184-F1290 HydrophobicContact CG2-CD2 4.12Å; I1184-F1290 HydrophobicContact CG2-CE1 3.96Å; I1184-F1290 HydrophobicContact CG2-CE2 3.59Å; I1184-F1290 HydrophobicContact CG2-CZ 3.51Å |
| 1185 | N | 77.4 | Confident | 71.5 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | trans | -116 | 93 | 174.4 | -175.8 | -27.2 | 0 | 0 | 0 | 108.8 | G1187 L1188 | N1185-G1187 PolarHBondContact O-N 3.43Å; N1185-G1187 VanDerWaalsContact O-N 3.15Å; N1185-G1187 WeakPolarHBondContact OD1-CA 3.42Å; N1185-G1187 PolarHBondContact OD1-N 2.84Å; N1185-L1188 HydrophobicContact CB-CD1 4.14Å; N1185-L1188 HydrophobicContact CB-CG 4.18Å; N1185-L1188 PolarHBondContact O-N 2.8Å; N1185-L1188 PolarHBondContact OD1-N 3.42Å | ||
| 1186 | P | 72.6 | Confident | 70.8 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.019 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -54 | -25.4 | 173.3 | 20.9 | -35.7 | 0 | 0 | 0 | 114.1 | D1163 L1188 W1189 I1190 M1205 F1219 V1221 | D1163-P1186 VanDerWaalsContact O-CD 3.23Å; D1163-P1186 WeakPolarHBondContact O-CD 3.5Å; D1163-P1186 WeakPolarHBondContact O-CG 3.3Å; P1186-L1188 VanDerWaalsContact C-N 3.28Å; P1186-L1188 PolarHBondContact O-N 3.06Å; P1186-W1189 PolarHBondContact O-N 3.49Å; P1186-I1190 PolarHBondContact O-N 3.19Å; P1186-I1190 VanDerWaalsContact O-N 3.11Å; P1186-M1205 HydrophobicContact CB-SD 4.11Å; P1186-M1205 HydrophobicContact CG-SD 4.24Å; P1186-F1219 HydrophobicContact CB-CE2 4.48Å; P1186-F1219 HydrophobicContact CG-CE2 4.26Å; P1186-V1221 HydrophobicContact CB-CG1 4.36Å; P1186-V1221 HydrophobicContact CB-CG2 3.98Å; P1186-V1221 HydrophobicContact CG-CG1 4.36Å; P1186-V1221 HydrophobicContact CG-CG2 4.01Å |
| 1187 | G | 68.6 | Low | 70.1 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -50.6 | -45.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1185 W1189 K1191 | N1185-G1187 PolarHBondContact O-N 3.43Å; N1185-G1187 VanDerWaalsContact O-N 3.15Å; N1185-G1187 WeakPolarHBondContact OD1-CA 3.42Å; N1185-G1187 PolarHBondContact OD1-N 2.84Å; G1187-W1189 VanDerWaalsContact C-N 3.27Å; G1187-W1189 PolarHBondContact O-N 2.97Å; G1187-K1191 WeakPolarHBondContact O-CB 3.46Å; G1187-K1191 PolarHBondContact O-N 3.4Å |
| 1188 | L | 70.8 | Confident | 68.9 | Low | 125 Ų | 125 | 65.1 Ų | 65.1 | 65% | 0.654 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69.7 | -21 | 179.8 | -64.1 | 177.5 | 0 | 0 | 0 | 113.8 | N1185 P1186 P1192 | N1185-L1188 HydrophobicContact CB-CD1 4.14Å; N1185-L1188 HydrophobicContact CB-CG 4.18Å; N1185-L1188 PolarHBondContact O-N 2.8Å; N1185-L1188 PolarHBondContact OD1-N 3.42Å; P1186-L1188 VanDerWaalsContact C-N 3.28Å; P1186-L1188 PolarHBondContact O-N 3.06Å; L1188-P1192 WeakPolarHBondContact O-CD 3.47Å; L1188-P1192 VanDerWaalsContact O-CG 3.31Å; L1188-P1192 WeakPolarHBondContact O-CG 3.48Å |
| 1189 | W | 68.7 | Low | 67.6 | Low | 97 Ų | 97 | 72 Ų | 72 | 37% | 0.367 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -90.2 | -31.3 | -179.9 | -70.1 | 80.4 | 0 | 0 | 0 | 112.6 | P1186 G1187 I1193 L1275 P1297 | P1186-W1189 PolarHBondContact O-N 3.49Å; G1187-W1189 VanDerWaalsContact C-N 3.27Å; G1187-W1189 PolarHBondContact O-N 2.97Å; W1189-I1193 WeakPolarHBondContact O-CD1 3.24Å; W1189-L1275 HydrophobicContact CE3-CD1 4.14Å; W1189-L1275 HydrophobicContact CZ3-CD1 4Å; W1189-P1297 HydrophobicContact CD2-CG 4.38Å; W1189-P1297 HydrophobicContact CE3-CG 4Å; W1189-P1297 HydrophobicContact CH2-CG 3.28Å; W1189-P1297 HydrophobicContact CZ2-CG 3.68Å; W1189-P1297 HydrophobicContact CZ3-CG 3.44Å; W1189-P1297 VanDerWaalsContact CZ3-CG 3.44Å |
| 1190 | I | 69.9 | Low | 66.2 | Low | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -96.9 | -37.1 | -178 | -58.4 | 165.4 | 0 | 0 | 0 | 111.8 | P1186 P1192 I1193 W1194 L1203 M1205 | P1186-I1190 PolarHBondContact O-N 3.19Å; P1186-I1190 VanDerWaalsContact O-N 3.11Å; I1190-P1192 VanDerWaalsContact C-CD 3.49Å; I1190-I1193 WeakPolarHBondContact O-CB 3.37Å; I1190-I1193 PolarHBondContact O-N 2.8Å; I1190-W1194 HydrophobicContact CG2-CD2 4.21Å; I1190-W1194 HydrophobicContact CG2-CZ2 4.47Å; I1190-W1194 PolarHBondContact O-N 3.14Å; I1190-L1203 HydrophobicContact CG2-CD2 4.32Å; I1190-M1205 HydrophobicContact CB-CE 3.74Å; I1190-M1205 HydrophobicContact CD1-CE 3.74Å; I1190-M1205 HydrophobicContact CD1-SD 4.31Å; I1190-M1205 HydrophobicContact CG1-CE 4.24Å; I1190-M1205 HydrophobicContact CG2-CE 4.19Å |
| 1191 | K | 65 | Low | 64.8 | Low | 53 Ų | 53 | 78.3 Ų | 78.3 | 23% | 0.23 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.8 | -42.6 | -176.9 | -168.1 | -178.8 | -168.5 | -177.4 | 0 | 114.1 | G1187 I1193 W1194 I1195 P1198 E1201 | G1187-K1191 WeakPolarHBondContact O-CB 3.46Å; G1187-K1191 PolarHBondContact O-N 3.4Å; K1191-I1193 PolarHBondContact O-N 2.7Å; K1191-I1193 VanDerWaalsContact O-N 3.14Å; K1191-W1194 PolarHBondContact O-N 3Å; K1191-W1194 VanDerWaalsContact O-N 3.14Å; K1191-I1195 HydrophobicContact CG-CD1 4.05Å; K1191-I1195 HydrophobicContact CG-CG1 4.4Å; K1191-I1195 PolarHBondContact O-N 3.36Å; K1191-I1195 VanDerWaalsContact O-N 3.13Å; K1191-P1198 VanDerWaalsContact CE-O 3.31Å; K1191-P1198 WeakPolarHBondContact CE-O 3.33Å; K1191-P1198 PolarHBondContact NZ-O 2.99Å; K1191-E1201 WeakPolarHBondContact CE-O 3.21Å; K1191-E1201 PolarHBondContact NZ-O 3.22Å |
| 1192 | P | 61 | Low | 63.5 | Low | 97 Ų | 97 | 80.5 Ų | 80.5 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.2 | -16.5 | 178.2 | -21.8 | 34.5 | 0 | 0 | 0 | 114.4 | L1188 I1190 | L1188-P1192 WeakPolarHBondContact O-CD 3.47Å; L1188-P1192 VanDerWaalsContact O-CG 3.31Å; L1188-P1192 WeakPolarHBondContact O-CG 3.48Å; I1190-P1192 VanDerWaalsContact C-CD 3.49Å |
| 1193 | I | 62.4 | Low | 63 | Low | 95 Ų | 95 | 80.4 Ų | 80.4 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -89.3 | -20.8 | -179 | -52.6 | 177.2 | 0 | 0 | 0 | 110.6 | W1189 I1190 K1191 L1279 | W1189-I1193 WeakPolarHBondContact O-CD1 3.24Å; I1190-I1193 WeakPolarHBondContact O-CB 3.37Å; I1190-I1193 PolarHBondContact O-N 2.8Å; K1191-I1193 PolarHBondContact O-N 2.7Å; K1191-I1193 VanDerWaalsContact O-N 3.14Å; I1193-L1279 HydrophobicContact CD1-CD1 3.66Å; I1193-L1279 HydrophobicContact CG2-CB 4.33Å; I1193-L1279 HydrophobicContact CG2-CD1 4.17Å |
| 1194 | W | 60.4 | Low | 62.3 | Low | 61 Ų | 61 | 78.4 Ų | 78.4 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -111.6 | -20.8 | -173.8 | -73.4 | 9.2 | 0 | 0 | 0 | 115.1 | I1190 K1191 L1203 T1223 T1226 | I1190-W1194 HydrophobicContact CG2-CD2 4.21Å; I1190-W1194 HydrophobicContact CG2-CZ2 4.47Å; I1190-W1194 PolarHBondContact O-N 3.14Å; K1191-W1194 PolarHBondContact O-N 3Å; K1191-W1194 VanDerWaalsContact O-N 3.14Å; W1194-L1203 HydrophobicContact CD2-CD2 4.47Å; W1194-L1203 HydrophobicContact CE3-CD1 3.68Å; W1194-L1203 HydrophobicContact CE3-CD2 3.62Å; W1194-L1203 HydrophobicContact CE3-CG 4.29Å; W1194-L1203 HydrophobicContact CZ3-CD1 4.04Å; W1194-L1203 HydrophobicContact CZ3-CD2 3.84Å; W1194-L1203 HydrophobicContact CZ3-CG 4.46Å; W1194-T1223 HydrophobicContact CH2-CG2 3.76Å; W1194-T1223 HydrophobicContact CZ3-CG2 3.97Å; W1194-T1226 HydrophobicContact CH2-CG2 3.9Å; W1194-T1226 HydrophobicContact CZ3-CG2 3.77Å |
| 1195 | I | 53.6 | Low | 62.1 | Low | 30 Ų | 30 | 78.2 Ų | 78.2 | 15% | 0.154 | 39% | 0.394 | C | S | . | . | trans | -131 | 122 | -173.3 | -47.4 | -176.1 | 0 | 0 | 0 | 111.1 | K1191 D1197 | K1191-I1195 HydrophobicContact CG-CD1 4.05Å; K1191-I1195 HydrophobicContact CG-CG1 4.4Å; K1191-I1195 PolarHBondContact O-N 3.36Å; K1191-I1195 VanDerWaalsContact O-N 3.13Å; I1195-D1197 VanDerWaalsContact CG2-O 3.3Å; I1195-D1197 WeakPolarHBondContact CG2-O 3.48Å | ||
| 1196 | R | 50.9 | Low | 61.9 | Low | 246 Ų | 246 | 77.6 Ų | 77.6 | 93% | 0.928 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -73.2 | -28.3 | 174.1 | -83.7 | -171.1 | 174.6 | -173.5 | -0.5 | 113.8 | P1198 | R1196-P1198 WeakPolarHBondContact O-CD 3.38Š|
| 1197 | D | 52 | Low | 62.3 | Low | 80 Ų | 80 | 78.4 Ų | 78.4 | 43% | 0.428 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -118.2 | 84.1 | -172.1 | -151.3 | 23.8 | 0 | 0 | 0 | 108.6 | I1195 D1199 K1200 | I1195-D1197 VanDerWaalsContact CG2-O 3.3Å; I1195-D1197 WeakPolarHBondContact CG2-O 3.48Å; D1197-D1199 PolarHBondContact O-N 2.95Å; D1197-K1200 WeakPolarHBondContact OD2-CD 3.24Å; D1197-K1200 VanDerWaalsContact OD2-CE 3.26Å; D1197-K1200 WeakPolarHBondContact OD2-CE 3.28Å; D1197-K1200 IonicContact OD2-NZ 2.66Å; D1197-K1200 PolarHBondContact OD2-NZ 2.8Å |
| 1198 | P | 51.6 | Low | 62.8 | Low | 67 Ų | 67 | 81.5 Ų | 81.5 | 44% | 0.435 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -12.1 | -157 | 26.6 | -36.3 | 0 | 0 | 0 | 115.2 | K1191 R1196 | K1191-P1198 VanDerWaalsContact CE-O 3.31Å; K1191-P1198 WeakPolarHBondContact CE-O 3.33Å; K1191-P1198 PolarHBondContact NZ-O 2.99Å; R1196-P1198 WeakPolarHBondContact O-CD 3.38Å |
| 1199 | D | 52.3 | Low | 63.3 | Low | 152 Ų | 152 | 78.6 Ų | 78.6 | 81% | 0.813 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -12.4 | -169.2 | -59.3 | -38.1 | 0 | 0 | 0 | 114.4 | D1197 | D1197-D1199 PolarHBondContact O-N 2.95Š|
| 1200 | K | 52.8 | Low | 64 | Low | 165 Ų | 165 | 74.6 Ų | 74.6 | 72% | 0.717 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -93.2 | -28.4 | -169.3 | -71.9 | 176.6 | -174.7 | 154.8 | 0 | 116.1 | D1197 | D1197-K1200 WeakPolarHBondContact OD2-CD 3.24Å; D1197-K1200 VanDerWaalsContact OD2-CE 3.26Å; D1197-K1200 WeakPolarHBondContact OD2-CE 3.28Å; D1197-K1200 IonicContact OD2-NZ 2.66Å; D1197-K1200 PolarHBondContact OD2-NZ 2.8Å |
| 1201 | E | 53.6 | Low | 64.7 | Low | 95 Ų | 95 | 75.9 Ų | 75.9 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | trans | -131.9 | 148.9 | 179.3 | -68.9 | -162.5 | 170.8 | 0 | 0 | 113.7 | K1191 F1229 | K1191-E1201 WeakPolarHBondContact CE-O 3.21Å; K1191-E1201 PolarHBondContact NZ-O 3.22Å; E1201-F1229 VanDerWaalsContact OE2-CZ 3.22Å; E1201-F1229 WeakPolarHBondContact OE2-CZ 3.38Å | ||
| 1202 | T | 55.4 | Low | 65.5 | Low | 132 Ų | 132 | 74.2 Ų | 74.2 | 81% | 0.81 | 38% | 0.375 | S | S | * | . | trans | -105.6 | 110.6 | -179.8 | 41.3 | 0 | 0 | 0 | 0 | 110.8 | S1204 | T1202-S1204 PolarHBondContact O-N 2.83Š| ||
| 1203 | L | 64.5 | Low | 66.4 | Low | 26 Ų | 26 | 70.1 Ų | 70.1 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | trans | -76.3 | 109 | 178.6 | -155.6 | 84.8 | 0 | 0 | 0 | 110.5 | I1190 W1194 M1205 T1223 | I1190-L1203 HydrophobicContact CG2-CD2 4.32Å; W1194-L1203 HydrophobicContact CD2-CD2 4.47Å; W1194-L1203 HydrophobicContact CE3-CD1 3.68Å; W1194-L1203 HydrophobicContact CE3-CD2 3.62Å; W1194-L1203 HydrophobicContact CE3-CG 4.29Å; W1194-L1203 HydrophobicContact CZ3-CD1 4.04Å; W1194-L1203 HydrophobicContact CZ3-CD2 3.84Å; W1194-L1203 HydrophobicContact CZ3-CG 4.46Å; L1203-M1205 HydrophobicContact CD2-CE 3.74Å; L1203-T1223 HydrophobicContact CD2-CG2 4.18Å | ||
| 1204 | S | 66.4 | Low | 67 | Low | 54 Ų | 54 | 68 Ų | 68 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 135.9 | 179.7 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | T1202 K1224 | T1202-S1204 PolarHBondContact O-N 2.83Å; S1204-K1224 PolarHBondContact O-N 3.04Å; S1204-K1224 VanDerWaalsContact OG-CB 3.23Å; S1204-K1224 WeakPolarHBondContact OG-CB 3.35Å; S1204-K1224 PolarHBondContact OG-O 2.94Å |
| 1205 | M | 73.2 | Confident | 67.8 | Low | 11 Ų | 11 | 68 Ų | 68 | 5% | 0.054 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150 | 178.8 | -63.2 | -175.2 | -173.3 | 0 | 0 | 112.7 | D1163 P1186 I1190 L1203 V1221 Q1222 T1223 | D1163-M1205 HydrophobicContact CB-CB 3.93Å; P1186-M1205 HydrophobicContact CB-SD 4.11Å; P1186-M1205 HydrophobicContact CG-SD 4.24Å; I1190-M1205 HydrophobicContact CB-CE 3.74Å; I1190-M1205 HydrophobicContact CD1-CE 3.74Å; I1190-M1205 HydrophobicContact CD1-SD 4.31Å; I1190-M1205 HydrophobicContact CG1-CE 4.24Å; I1190-M1205 HydrophobicContact CG2-CE 4.19Å; L1203-M1205 HydrophobicContact CD2-CE 3.74Å; M1205-V1221 HydrophobicContact CB-CG1 3.92Å; M1205-V1221 HydrophobicContact CG-CG1 4.07Å; M1205-V1221 HydrophobicContact SD-CG1 3.62Å; M1205-Q1222 CarbonylContact C-O 3.31Å; M1205-Q1222 VanDerWaalsContact CA-O 3.29Å; M1205-Q1222 WeakPolarHBondContact CA-O 2.96Å; M1205-T1223 HydrophobicContact CE-CG2 4.31Å; M1205-T1223 HydrophobicContact CG-CG2 4.38Å |
| 1206 | D | 75.1 | Confident | 69.3 | Low | 25 Ų | 25 | 67.3 Ų | 67.3 | 13% | 0.134 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.8 | 171.2 | -84.8 | -79.5 | 0 | 0 | 0 | 110.5 | R1162 Q1222 K1224 | R1162-D1206 WeakPolarHBondContact CD-OD1 3.48Å; R1162-D1206 IonicContact NE-OD1 2.73Å; R1162-D1206 IonicContact NH1-OD1 2.77Å; R1162-D1206 PolarHBondContact NH1-OD1 3.11Å; D1206-Q1222 PolarHBondContact N-O 2.84Å; D1206-Q1222 PolarHBondContact O-N 2.98Å; D1206-K1224 WeakPolarHBondContact OD2-CD 3.42Å; D1206-K1224 WeakPolarHBondContact OD2-CE 3.34Å; D1206-K1224 IonicContact OD2-NZ 3.23Å; D1206-K1224 PolarHBondContact OD2-NZ 3.06Å |
| 1207 | I | 79.2 | Confident | 70.9 | Confident | 20 Ų | 20 | 55.6 Ų | 55.6 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 124.1 | 166.4 | -64.5 | 158.6 | 0 | 0 | 0 | 109.8 | I1157 R1162 L1165 F1219 I1220 V1221 | I1157-I1207 HydrophobicContact CD1-CG2 4.02Å; I1157-I1207 HydrophobicContact CG2-CD1 4.43Å; R1162-I1207 WeakPolarHBondContact O-CD1 3.41Å; R1162-I1207 WeakPolarHBondContact O-CG1 3.44Å; R1162-I1207 PolarHBondContact O-N 2.92Å; R1162-I1207 VanDerWaalsContact O-N 3.1Å; L1165-I1207 HydrophobicContact CD1-CD1 3.68Å; L1165-I1207 HydrophobicContact CD2-CD1 4.18Å; L1165-I1207 HydrophobicContact CG-CD1 3.56Å; I1207-F1219 HydrophobicContact CG1-CD2 4.23Å; I1207-F1219 HydrophobicContact CG2-CB 4.26Å; I1207-I1220 CarbonylContact C-O 3.59Å; I1207-I1220 WeakPolarHBondContact CA-O 3.3Å; I1207-V1221 HydrophobicContact CG1-CG2 4.39Å |
| 1208 | I | 79.7 | Confident | 72.5 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 40% | 0.4 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -47.2 | -178 | -67.1 | -178.8 | 0 | 0 | 0 | 112.3 | I1220 Q1222 | I1208-I1220 PolarHBondContact N-O 3.4Å; I1208-Q1222 HydrophobicContact CD1-CB 3.68Å; I1208-Q1222 HydrophobicContact CD1-CG 4.44Å; I1208-Q1222 HydrophobicContact CG1-CB 4.1Å |
| 1209 | F | 80.7 | Confident | 74.1 | Confident | 65 Ų | 65 | 48.6 Ų | 48.6 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.8 | -173.5 | -159 | -75.2 | 0 | 0 | 0 | 109.1 | D1211 F1219 I1220 T1308 L1309 V1310 | F1209-D1211 HydrophobicContact CE1-CB 4.36Å; F1209-F1219 CarbonylContact O-C 3.54Å; F1209-F1219 WeakPolarHBondContact O-CA 3.48Å; F1209-F1219 VanDerWaalsContact O-CB 3.26Å; F1209-F1219 WeakPolarHBondContact O-CB 3.13Å; F1209-I1220 HydrophobicContact CB-CB 4.35Å; F1209-I1220 HydrophobicContact CB-CD1 4.01Å; F1209-I1220 HydrophobicContact CB-CG1 4.13Å; F1209-I1220 PolarHBondContact O-N 3.06Å; F1209-T1308 WeakPolarHBondContact CD2-O 3.48Å; F1209-L1309 HydrophobicContact CD2-CB 4.41Å; F1209-L1309 HydrophobicContact CE1-CG 4.44Å; F1209-L1309 HydrophobicContact CE2-CB 4.19Å; F1209-L1309 HydrophobicContact CE2-CD1 4.11Å; F1209-L1309 HydrophobicContact CE2-CG 3.94Å; F1209-L1309 HydrophobicContact CZ-CD1 4.14Å; F1209-L1309 HydrophobicContact CZ-CG 3.87Å; F1209-V1310 HydrophobicContact CD1-CG1 3.75Å; F1209-V1310 HydrophobicContact CE1-CG1 4.43Å; F1209-V1310 WeakPolarHBondContact CE1-O 3.21Å |
| 1210 | L | 84.3 | Confident | 75.7 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 139.6 | 175.5 | 178.6 | 147.1 | 0 | 0 | 0 | 110.6 | Y1146 I1155 I1157 L1165 I1212 V1217 G1218 F1219 | Y1146-L1210 HydrophobicContact CD1-CD2 3.79Å; Y1146-L1210 HydrophobicContact CD2-CD2 4.39Å; Y1146-L1210 HydrophobicContact CE1-CD2 4.05Å; Y1146-L1210 HydrophobicContact CG-CD2 3.99Å; I1155-L1210 HydrophobicContact CG2-CD1 4.4Å; I1157-L1210 HydrophobicContact CD1-CB 4.46Å; I1157-L1210 HydrophobicContact CD1-CD1 4.22Å; L1165-L1210 HydrophobicContact CD1-CD1 4.39Å; L1165-L1210 HydrophobicContact CD2-CD1 3.39Å; L1210-I1212 HydrophobicContact CD2-CD1 3.78Å; L1210-I1212 HydrophobicContact CD2-CG1 3.58Å; L1210-V1217 HydrophobicContact CD1-CG2 3.87Å; L1210-V1217 HydrophobicContact CD2-CG2 4.37Å; L1210-V1217 HydrophobicContact CG-CG2 4Å; L1210-G1218 WeakPolarHBondContact CA-O 3.42Å; L1210-F1219 HydrophobicContact CB-CB 4.02Å; L1210-F1219 HydrophobicContact CD1-CB 4.13Å; L1210-F1219 HydrophobicContact CG-CB 4.19Å |
| 1211 | D | 84.9 | Confident | 77 | Confident | 29 Ų | 29 | 33.5 Ų | 33.5 | 16% | 0.155 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 152.2 | 174.9 | -171 | 46.6 | 0 | 0 | 0 | 110.9 | F1209 G1218 K1311 L1312 | F1209-D1211 HydrophobicContact CE1-CB 4.36Å; D1211-G1218 PolarHBondContact N-O 2.92Å; D1211-G1218 PolarHBondContact O-N 2.76Å; D1211-K1311 IonicContact OD1-NZ 3.71Å; D1211-K1311 PolarHBondContact OD1-NZ 2.82Å; D1211-K1311 WeakPolarHBondContact OD2-CA 3.39Å; D1211-K1311 WeakPolarHBondContact OD2-CD 3.07Å; D1211-K1311 IonicContact OD2-NZ 3.49Å; D1211-K1311 PolarHBondContact OD2-NZ 3.4Å; D1211-L1312 PolarHBondContact OD2-N 2.98Å |
| 1212 | I | 82.4 | Confident | 78.3 | Confident | 18 Ų | 18 | 31.5 Ų | 31.5 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 141.8 | -166.4 | -56.4 | 175.8 | 0 | 0 | 0 | 111.1 | Y1146 T1148 I1155 L1210 V1217 L1292 | Y1146-I1212 VanDerWaalsContact CB-CD1 3.48Å; Y1146-I1212 HydrophobicContact CG-CD1 4.34Å; T1148-I1212 HydrophobicContact CG2-CG2 3.63Å; I1155-I1212 HydrophobicContact CB-CD1 4.29Å; I1155-I1212 HydrophobicContact CD1-CD1 3.59Å; I1155-I1212 HydrophobicContact CD1-CG1 3.95Å; I1155-I1212 HydrophobicContact CG1-CD1 4.02Å; L1210-I1212 HydrophobicContact CD2-CD1 3.78Å; L1210-I1212 HydrophobicContact CD2-CG1 3.58Å; I1212-V1217 HydrophobicContact CG1-CG2 4.24Å; I1212-L1292 HydrophobicContact CG2-CD1 4.35Å |
| 1213 | T | 78.9 | Confident | 79.1 | Confident | 10 Ų | 10 | 25.4 Ų | 25.4 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | trans | -122.3 | 178.8 | 164.3 | 51.4 | 0 | 0 | 0 | 0 | 109.4 | D1215 Y1216 L1312 Q1314 | T1213-D1215 PolarHBondContact O-N 2.79Å; T1213-Y1216 PolarHBondContact N-O 3.25Å; T1213-Y1216 WeakPolarHBondContact OG1-CA 3.47Å; T1213-Y1216 WeakPolarHBondContact OG1-CB 3.13Å; T1213-Y1216 PolarHBondContact OG1-N 3.44Å; T1213-Y1216 VanDerWaalsContact OG1-N 3.1Å; T1213-Y1216 PolarHBondContact OG1-O 3.35Å; T1213-L1312 HydrophobicContact CG2-CB 3.56Å; T1213-L1312 HydrophobicContact CG2-CD1 4.09Å; T1213-Q1314 HydrophobicContact CG2-CB 4.12Å | ||
| 1214 | D | 75.3 | Confident | 79.1 | Confident | 52 Ų | 52 | 28.5 Ų | 28.5 | 28% | 0.278 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -65.1 | -29.6 | -178.8 | -76.9 | -18.4 | 0 | 0 | 0 | 113.4 | P1149 N1150 | P1149-D1214 VanDerWaalsContact CB-OD1 3.31Å; P1149-D1214 WeakPolarHBondContact CB-OD1 3.21Å; P1149-D1214 VanDerWaalsContact CD-OD1 3.23Å; P1149-D1214 WeakPolarHBondContact CD-OD1 3.5Å; N1150-D1214 VanDerWaalsContact CB-OD1 3.23Å; N1150-D1214 WeakPolarHBondContact CB-OD1 3.43Å; N1150-D1214 PolarHBondContact N-OD1 2.9Å; N1150-D1214 WeakPolarHBondContact ND2-CB 3.29Å; N1150-D1214 VanDerWaalsContact ND2-CG 3.34Å; N1150-D1214 PolarHBondContact ND2-OD1 2.84Å |
| 1215 | D | 78 | Confident | 78.5 | Confident | 59 Ų | 59 | 31 Ų | 31 | 32% | 0.316 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -111.1 | -21.5 | -176.5 | -61.4 | -52.5 | 0 | 0 | 0 | 114.1 | T1213 L1292 Q1314 | T1213-D1215 PolarHBondContact O-N 2.79Å; D1215-L1292 WeakPolarHBondContact O-CB 3.36Å; D1215-L1292 PolarHBondContact O-N 3.36Å; D1215-Q1314 PolarHBondContact OD2-NE2 2.82Å |
| 1216 | Y | 83.6 | Confident | 77.4 | Confident | 16 Ų | 16 | 32.5 Ų | 32.5 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 149.6 | -170.8 | -44 | -84.4 | 0 | 0 | 0 | 113.9 | T1213 F1290 E1291 L1298 L1312 L1355 K1356 | T1213-Y1216 PolarHBondContact N-O 3.25Å; T1213-Y1216 WeakPolarHBondContact OG1-CA 3.47Å; T1213-Y1216 WeakPolarHBondContact OG1-CB 3.13Å; T1213-Y1216 PolarHBondContact OG1-N 3.44Å; T1213-Y1216 VanDerWaalsContact OG1-N 3.1Å; T1213-Y1216 PolarHBondContact OG1-O 3.35Å; Y1216-F1290 WeakPolarHBondContact CA-O 3.28Å; Y1216-E1291 HydrophobicContact CD1-CB 4.26Å; Y1216-E1291 HydrophobicContact CE1-CB 4.42Å; Y1216-E1291 HydrophobicContact CE1-CG 4.43Å; Y1216-L1298 HydrophobicContact CD1-CD1 3.5Å; Y1216-L1298 HydrophobicContact CE1-CD1 3.69Å; Y1216-L1312 WeakPolarHBondContact O-CD1 3.48Å; Y1216-L1355 HydrophobicContact CD1-CD2 4.42Å; Y1216-L1355 HydrophobicContact CD2-CD2 3.49Å; Y1216-L1355 VanDerWaalsContact CD2-CD2 3.49Å; Y1216-L1355 HydrophobicContact CE2-CD2 3.66Å; Y1216-L1355 HydrophobicContact CG-CD2 3.91Å; Y1216-K1356 WeakPolarHBondContact OH-CE 3.35Å |
| 1217 | V | 86 | Confident | 76 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135.4 | 169.9 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | I1155 I1184 L1210 I1212 F1219 I1289 F1290 L1292 | I1155-V1217 HydrophobicContact CD1-CB 3.93Å; I1155-V1217 HydrophobicContact CD1-CG1 4.43Å; I1155-V1217 HydrophobicContact CD1-CG2 3.73Å; I1184-V1217 HydrophobicContact CD1-CG1 4.22Å; L1210-V1217 HydrophobicContact CD1-CG2 3.87Å; L1210-V1217 HydrophobicContact CD2-CG2 4.37Å; L1210-V1217 HydrophobicContact CG-CG2 4Å; I1212-V1217 HydrophobicContact CG1-CG2 4.24Å; V1217-F1219 HydrophobicContact CG2-CD1 4.32Å; V1217-I1289 WeakPolarHBondContact O-CA 3.34Å; V1217-F1290 HydrophobicContact CG1-CB 4.02Å; V1217-F1290 PolarHBondContact N-O 3.19Å; V1217-F1290 PolarHBondContact O-N 2.82Å; V1217-L1292 HydrophobicContact CB-CD2 3.9Å; V1217-L1292 HydrophobicContact CB-CG 4.3Å; V1217-L1292 HydrophobicContact CG1-CD2 3.6Å; V1217-L1292 HydrophobicContact CG1-CG 4.2Å |
| 1218 | G | 84 | Confident | 74.4 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 132.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1210 D1211 V1288 | L1210-G1218 WeakPolarHBondContact CA-O 3.42Å; D1211-G1218 PolarHBondContact N-O 2.92Å; D1211-G1218 PolarHBondContact O-N 2.76Å; G1218-V1288 WeakPolarHBondContact CA-O 3.01Å |
| 1219 | F | 86.7 | Confident | 72.8 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 162.9 | -176.2 | 60 | -87.8 | 0 | 0 | 0 | 113.2 | L1165 I1184 P1186 I1207 F1209 L1210 V1217 V1221 V1288 F1290 | L1165-F1219 HydrophobicContact CD1-CD1 3.65Å; L1165-F1219 HydrophobicContact CD1-CD2 3.87Å; L1165-F1219 HydrophobicContact CD1-CE1 3.44Å; L1165-F1219 VanDerWaalsContact CD1-CE1 3.44Å; L1165-F1219 HydrophobicContact CD1-CE2 3.67Å; L1165-F1219 HydrophobicContact CD1-CG 3.86Å; L1165-F1219 HydrophobicContact CD1-CZ 3.46Å; L1165-F1219 VanDerWaalsContact CD1-CZ 3.46Å; I1184-F1219 HydrophobicContact CG2-CE1 4.35Å; I1184-F1219 HydrophobicContact CG2-CZ 3.88Å; P1186-F1219 HydrophobicContact CB-CE2 4.48Å; P1186-F1219 HydrophobicContact CG-CE2 4.26Å; I1207-F1219 HydrophobicContact CG1-CD2 4.23Å; I1207-F1219 HydrophobicContact CG2-CB 4.26Å; F1209-F1219 CarbonylContact O-C 3.54Å; F1209-F1219 WeakPolarHBondContact O-CA 3.48Å; F1209-F1219 VanDerWaalsContact O-CB 3.26Å; F1209-F1219 WeakPolarHBondContact O-CB 3.13Å; L1210-F1219 HydrophobicContact CB-CB 4.02Å; L1210-F1219 HydrophobicContact CD1-CB 4.13Å; L1210-F1219 HydrophobicContact CG-CB 4.19Å; V1217-F1219 HydrophobicContact CG2-CD1 4.32Å; F1219-V1221 HydrophobicContact CD2-CG2 3.57Å; F1219-V1221 HydrophobicContact CE2-CG2 3.47Å; F1219-V1221 VanDerWaalsContact CE2-CG2 3.47Å; F1219-V1288 HydrophobicContact CD2-CG2 4.42Å; F1219-V1288 HydrophobicContact CE1-CB 4.46Å; F1219-V1288 HydrophobicContact CE2-CB 4.15Å; F1219-V1288 HydrophobicContact CE2-CG2 4.01Å; F1219-V1288 HydrophobicContact CZ-CB 4.08Å; F1219-V1288 HydrophobicContact CZ-CG2 4.4Å; F1219-V1288 PolarHBondContact N-O 2.69Å; F1219-V1288 PolarHBondContact O-N 3.17Å; F1219-F1290 AromaticContact CE1-CD2 3.63Å; F1219-F1290 HydrophobicContact CE1-CD2 3.63Å; F1219-F1290 AromaticContact CE1-CE2 3.91Å; F1219-F1290 HydrophobicContact CE1-CE2 3.91Å; F1219-F1290 AromaticContact CZ-CD2 3.95Å; F1219-F1290 HydrophobicContact CZ-CD2 3.95Å; F1219-F1290 AromaticContact CZ-CE2 3.71Å; F1219-F1290 HydrophobicContact CZ-CE2 3.71Å |
| 1220 | I | 85 | Confident | 70.9 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 125.8 | -178.3 | -54.2 | -177.3 | 0 | 0 | 0 | 109.7 | I1207 I1208 F1209 N1285 H1286 V1287 A1307 V1310 | I1207-I1220 CarbonylContact C-O 3.59Å; I1207-I1220 WeakPolarHBondContact CA-O 3.3Å; I1208-I1220 PolarHBondContact N-O 3.4Å; F1209-I1220 HydrophobicContact CB-CB 4.35Å; F1209-I1220 HydrophobicContact CB-CD1 4.01Å; F1209-I1220 HydrophobicContact CB-CG1 4.13Å; F1209-I1220 PolarHBondContact O-N 3.06Å; I1220-N1285 HydrophobicContact CG2-CB 3.9Å; I1220-H1286 CarbonylContact C-O 3.34Å; I1220-H1286 WeakPolarHBondContact CA-O 3.35Å; I1220-V1287 HydrophobicContact CG1-CG2 4.25Å; I1220-A1307 HydrophobicContact CD1-CB 4.07Å; I1220-V1310 HydrophobicContact CD1-CB 4.47Å; I1220-V1310 HydrophobicContact CD1-CG1 4.38Å; I1220-V1310 HydrophobicContact CG1-CB 4.47Å; I1220-V1310 HydrophobicContact CG1-CG1 4.05Å |
| 1221 | V | 80.9 | Confident | 68.7 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.9 | -177.2 | -174.5 | 0 | 0 | 0 | 0 | 110.7 | P1186 M1205 I1207 F1219 N1285 H1286 V1288 | P1186-V1221 HydrophobicContact CB-CG1 4.36Å; P1186-V1221 HydrophobicContact CB-CG2 3.98Å; P1186-V1221 HydrophobicContact CG-CG1 4.36Å; P1186-V1221 HydrophobicContact CG-CG2 4.01Å; M1205-V1221 HydrophobicContact CB-CG1 3.92Å; M1205-V1221 HydrophobicContact CG-CG1 4.07Å; M1205-V1221 HydrophobicContact SD-CG1 3.62Å; I1207-V1221 HydrophobicContact CG1-CG2 4.39Å; F1219-V1221 HydrophobicContact CD2-CG2 3.57Å; F1219-V1221 HydrophobicContact CE2-CG2 3.47Å; F1219-V1221 VanDerWaalsContact CE2-CG2 3.47Å; V1221-N1285 CarbonylContact O-C 3.55Å; V1221-N1285 VanDerWaalsContact O-CA 3.26Å; V1221-N1285 WeakPolarHBondContact O-CA 3.43Å; V1221-N1285 PolarHBondContact O-N 2.87Å; V1221-H1286 PolarHBondContact N-O 3.23Å; V1221-H1286 PolarHBondContact O-N 3.06Å; V1221-V1288 HydrophobicContact CG2-CG2 3.93Å |
| 1222 | Q | 80.7 | Confident | 66.5 | Low | 52 Ų | 52 | 55.9 Ų | 55.9 | 24% | 0.243 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 116.5 | 171.5 | 174.5 | 169.4 | 97.2 | 0 | 0 | 110.5 | M1205 D1206 I1208 K1224 N1285 | M1205-Q1222 CarbonylContact C-O 3.31Å; M1205-Q1222 VanDerWaalsContact CA-O 3.29Å; M1205-Q1222 WeakPolarHBondContact CA-O 2.96Å; D1206-Q1222 PolarHBondContact N-O 2.84Å; D1206-Q1222 PolarHBondContact O-N 2.98Å; I1208-Q1222 HydrophobicContact CD1-CB 3.68Å; I1208-Q1222 HydrophobicContact CD1-CG 4.44Å; I1208-Q1222 HydrophobicContact CG1-CB 4.1Å; Q1222-K1224 HydrophobicContact CG-CG 4.43Å; Q1222-N1285 PolarHBondContact NE2-OD1 3.13Å |
| 1223 | T | 72.2 | Confident | 64.6 | Low | 4 Ų | 4 | 59.2 Ų | 59.2 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 134.7 | 166.7 | 41.5 | 0 | 0 | 0 | 0 | 110.2 | W1194 L1203 M1205 T1283 H1286 | W1194-T1223 HydrophobicContact CH2-CG2 3.76Å; W1194-T1223 HydrophobicContact CZ3-CG2 3.97Å; L1203-T1223 HydrophobicContact CD2-CG2 4.18Å; M1205-T1223 HydrophobicContact CE-CG2 4.31Å; M1205-T1223 HydrophobicContact CG-CG2 4.38Å; T1223-T1283 PolarHBondContact OG1-O 3.43Å; T1223-H1286 PolarHBondContact OG1-NE2 3.27Å |
| 1224 | K | 63.5 | Low | 62.7 | Low | 92 Ų | 92 | 65.6 Ų | 65.6 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 151.4 | 174.1 | -78 | 176.2 | 176 | 173.4 | 0 | 110 | S1204 D1206 Q1222 | S1204-K1224 PolarHBondContact O-N 3.04Å; S1204-K1224 VanDerWaalsContact OG-CB 3.23Å; S1204-K1224 WeakPolarHBondContact OG-CB 3.35Å; S1204-K1224 PolarHBondContact OG-O 2.94Å; D1206-K1224 WeakPolarHBondContact OD2-CD 3.42Å; D1206-K1224 WeakPolarHBondContact OD2-CE 3.34Å; D1206-K1224 IonicContact OD2-NZ 3.23Å; D1206-K1224 PolarHBondContact OD2-NZ 3.06Å; Q1222-K1224 HydrophobicContact CG-CG 4.43Å |
| 1225 | N | 53.3 | Low | 61.1 | Low | 107 Ų | 107 | 73.1 Ų | 73.1 | 57% | 0.572 | 36% | 0.364 | S | S | * | . | trans | 75.3 | 46.1 | 179.4 | -153.1 | 32.6 | 0 | 0 | 0 | 117.2 | R1227 | N1225-R1227 VanDerWaalsContact C-N 3.34Š| ||
| 1226 | T | 52.1 | Low | 59.3 | Low | 41 Ų | 41 | 74.8 Ų | 74.8 | 25% | 0.252 | 38% | 0.375 | S | S | . | . | trans | -80.9 | -2.9 | 172.4 | 48.2 | 0 | 0 | 0 | 0 | 115.1 | W1194 | W1194-T1226 HydrophobicContact CH2-CG2 3.9Å; W1194-T1226 HydrophobicContact CZ3-CG2 3.77Å | ||
| 1227 | R | 45.6 | Very low | 57.1 | Low | 215 Ų | 215 | 81.1 Ų | 81.1 | 81% | 0.811 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -79.5 | -21.9 | -169.5 | -80.8 | -172.7 | 174.6 | -179.9 | -1.7 | 115.7 | N1225 L1230 | N1225-R1227 VanDerWaalsContact C-N 3.34Å; R1227-L1230 HydrophobicContact CG-CD1 4.49Å |
| 1228 | S | 44.9 | Very low | 54.7 | Low | 70 Ų | 70 | 91.5 Ų | 91.5 | 49% | 0.49 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -30.3 | 177.9 | 42.1 | 0 | 0 | 0 | 0 | 113 | L1230 | S1228-L1230 VanDerWaalsContact C-N 3.28Å; S1228-L1230 PolarHBondContact O-N 3.39Å |
| 1229 | F | 45.9 | Very low | 52.2 | Low | 108 Ų | 108 | 98.4 Ų | 98.4 | 47% | 0.474 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 13.4 | -171.8 | -62 | -81.6 | 0 | 0 | 0 | 115 | E1201 | E1201-F1229 VanDerWaalsContact OE2-CZ 3.22Å; E1201-F1229 WeakPolarHBondContact OE2-CZ 3.38Å |
| 1230 | L | 41.7 | Very low | 49.7 | Very low | 122 Ų | 122 | 107.3 Ų | 107.3 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | trans | -93.5 | 11.1 | -167 | -71 | 173.3 | 0 | 0 | 0 | 115.9 | R1227 S1228 P1232 | R1227-L1230 HydrophobicContact CG-CD1 4.49Å; S1228-L1230 VanDerWaalsContact C-N 3.28Å; S1228-L1230 PolarHBondContact O-N 3.39Å; L1230-P1232 WeakPolarHBondContact O-CD 3.21Å | ||
| 1231 | N | 37.8 | Very low | 47.4 | Very low | 96 Ų | 96 | 115.4 Ų | 115.4 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | trans | -118.2 | 86.2 | 175.4 | -117.9 | 28.7 | 0 | 0 | 0 | 111.8 | S1233 E1234 | N1231-S1233 PolarHBondContact O-N 3.36Å; N1231-E1234 PolarHBondContact ND2-OE2 3.06Å | ||
| 1232 | P | 37.5 | Very low | 45.1 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 71% | 0.714 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -8.3 | -179.5 | -19.6 | 33.6 | 0 | 0 | 0 | 115.2 | L1230 | L1230-P1232 WeakPolarHBondContact O-CD 3.21Š|
| 1233 | S | 42 | Very low | 42.9 | Very low | 89 Ų | 89 | 124.5 Ų | 124.5 | 62% | 0.622 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -14.2 | -165.1 | 49.2 | 0 | 0 | 0 | 0 | 116 | N1231 | N1231-S1233 PolarHBondContact O-N 3.36Š|
| 1234 | E | 40.6 | Very low | 41 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -104.2 | 1.9 | -171.2 | -67 | 174.1 | 126.1 | 0 | 0 | 113.8 | N1231 | N1231-E1234 PolarHBondContact ND2-OE2 3.06Š|
| 1235 | Y | 40.3 | Very low | 39.5 | Very low | 211 Ų | 211 | 133.6 Ų | 133.6 | 83% | 0.827 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -117.6 | 19.3 | -172.2 | -87.7 | -85.5 | 0 | 0 | 0 | 114.4 | ||
| 1236 | V | 41.3 | Very low | 38.5 | Very low | 93 Ų | 93 | 139 Ų | 139 | 56% | 0.564 | 71% | 0.705 | S | S | * | * | trans | -96.9 | -28.6 | -171.6 | -177.4 | 0 | 0 | 0 | 0 | 113.5 | Y1238 | V1236-Y1238 VanDerWaalsContact C-N 3.31Å; V1236-Y1238 PolarHBondContact O-N 3.02Å; V1236-Y1238 VanDerWaalsContact O-N 3.14Å | ||
| 1237 | D | 36.8 | Very low | 37.5 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -84.4 | 15.8 | -163.9 | -63.6 | -13.8 | 0 | 0 | 0 | 115.9 | ||
| 1238 | Y | 35.5 | Very low | 36.8 | Very low | 220 Ų | 220 | 140 Ų | 140 | 86% | 0.863 | 72% | 0.719 | S | S | * | * | trans | -124.7 | 44.8 | -178.1 | -73.4 | -77.7 | 0 | 0 | 0 | 113.1 | V1236 | V1236-Y1238 VanDerWaalsContact C-N 3.31Å; V1236-Y1238 PolarHBondContact O-N 3.02Å; V1236-Y1238 VanDerWaalsContact O-N 3.14Å | ||
| 1239 | L | 33 | Very low | 36.3 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -133.8 | 64.2 | 176.8 | -76.7 | 175.5 | 0 | 0 | 0 | 112.7 | ||||
| 1240 | E | 33.4 | Very low | 35.6 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | trans | -159.2 | 144.7 | 159.4 | -110.3 | 155.6 | -147.1 | 0 | 0 | 109.2 | ||||
| 1241 | D | 36.6 | Very low | 35.1 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | trans | 58.1 | 143.5 | -174.5 | -55.6 | -23.7 | 0 | 0 | 0 | 117.4 | ||||
| 1242 | G | 33.2 | Very low | 34.7 | Very low | 68 Ų | 68 | 146.6 Ų | 146.6 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | cis | 177.8 | 153.7 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1243 | D | 33.2 | Very low | 34.4 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | 65.2 | 158 | 164.9 | -67.3 | -9.2 | 0 | 0 | 0 | 122.6 | ||||
| 1244 | E | 33.1 | Very low | 33.8 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -106.1 | 179.1 | -156.6 | -55 | 178.1 | 154.6 | 0 | 0 | 115.1 | ||||
| 1245 | N | 32.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 66% | 0.663 | 78% | 0.783 | S | S | * | * | trans | 72 | 96.3 | 151.4 | -60.5 | -52.3 | 0 | 0 | 0 | 119.7 | ||||
| 1246 | F | 32.4 | Very low | 32.8 | Very low | 219 Ų | 219 | 142.2 Ų | 142.2 | 96% | 0.961 | 77% | 0.773 | S | S | * | * | trans | -140.3 | 143.5 | 141.2 | -101.8 | -79.7 | 0 | 0 | 0 | 111.3 | ||||
| 1247 | H | 31.4 | Very low | 32.5 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -139.1 | 156.9 | -165.4 | -134.5 | -81.4 | 0 | 0 | 0 | 111.5 | ||||
| 1248 | N | 30.2 | Very low | 32.2 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | trans | 76 | 126 | 163.1 | -57.1 | -23.2 | 0 | 0 | 0 | 120.6 | ||||
| 1249 | N | 33.7 | Very low | 32.1 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | trans | 170.9 | 87.5 | 136.6 | -86.9 | -20 | 0 | 0 | 0 | 106.4 | ||||
| 1250 | V | 32.2 | Very low | 32 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | 62.6 | 109.9 | 64.1 | -173.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1251 | C | 31.1 | Very low | 31.9 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 94% | 0.939 | 78% | 0.776 | S | S | * | * | trans | -158 | 103.8 | 145.2 | -113.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1252 | D | 29.2 | Very low | 31.7 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | trans | -122.2 | 125.7 | -165.9 | -128.9 | -43.5 | 0 | 0 | 0 | 110.5 | N1254 | D1252-N1254 PolarHBondContact OD1-ND2 3.42Š| ||
| 1253 | C | 31.1 | Very low | 31.4 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 86% | 0.858 | 77% | 0.774 | S | S | * | * | trans | -175.9 | 92.1 | 164.9 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1254 | N | 29.4 | Very low | 31.3 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | cis | 81.1 | 127.2 | 15.4 | -135.5 | -16.7 | 0 | 0 | 0 | 115.5 | D1252 | D1252-N1254 PolarHBondContact OD1-ND2 3.42Š| ||
| 1255 | N | 29.4 | Very low | 31.1 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | 72.6 | 135 | -177.5 | -49.5 | -57.7 | 0 | 0 | 0 | 118.2 | ||||
| 1256 | G | 31.8 | Very low | 30.8 | Very low | 60 Ų | 60 | 138.9 Ų | 138.9 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | cis | 173.2 | -176 | -5.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1257 | T | 33.6 | Very low | 30.7 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | 64 | 120.5 | 178.6 | 66.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1258 | D | 31 | Very low | 30.5 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | 112 | 109.9 | 35 | -101.1 | -41.7 | 0 | 0 | 0 | 110.7 | ||||
| 1259 | K | 33.8 | Very low | 30.4 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | 178.7 | 122 | 114.8 | -92.9 | 147.3 | -166 | 159.3 | 0 | 115.1 | |||||
| 1260 | N | 30.6 | Very low | 30 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | 65.1 | 96.2 | 133.9 | -58.1 | -17.7 | 0 | 0 | 0 | 121.2 | ||||
| 1261 | K | 32.1 | Very low | 29.8 | Very low | 195 Ų | 195 | 135.1 Ų | 135.1 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | 162.7 | 135.3 | 108.8 | -87.6 | 161.9 | -175.8 | 176.7 | 0 | 111.1 | |||||
| 1262 | T | 30.6 | Very low | 29.7 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | 178.2 | 125.1 | -18.9 | 14.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1263 | K | 28.5 | Very low | 29.9 | Very low | 206 Ų | 206 | 138.4 Ų | 138.4 | 90% | 0.896 | 76% | 0.764 | S | S | * | * | trans | 70.2 | 138.1 | 150.8 | -55.5 | 170.4 | -179.9 | -179 | 0 | 118.6 | ||||
| 1264 | G | 29.3 | Very low | 30 | Very low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | cis | 173.9 | 176.8 | -4.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1265 | S | 30.5 | Very low | 30.5 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | 57.8 | 125.1 | -178.2 | 52.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1266 | I | 25.9 | Very low | 30.6 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | cis | 73.5 | 99.1 | 24.2 | -45.2 | 175.6 | 0 | 0 | 0 | 115.3 | ||||
| 1267 | N | 28.6 | Very low | 31.3 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | trans | -173.7 | 119.1 | 132.8 | -89.5 | -33.4 | 0 | 0 | 0 | 107.2 | ||||
| 1268 | K | 28.6 | Very low | 31.9 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | 77.8 | 132.6 | 72.7 | -86.1 | -169.4 | 172.3 | -177.1 | 0 | 114.7 | |||||
| 1269 | S | 26.7 | Very low | 32.9 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | 54.3 | 106.9 | 169.4 | 56.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1270 | M | 25.6 | Very low | 33.8 | Very low | 171 Ų | 171 | 130 Ų | 130 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | trans | -113.9 | 108.8 | 137.7 | -160.7 | 170.7 | 86.3 | 0 | 0 | 107.6 | ||||
| 1271 | S | 29.4 | Very low | 34.5 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 54% | 0.538 | 72% | 0.715 | S | S | . | * | trans | -83.2 | 138.5 | -175.8 | 50.5 | 0 | 0 | 0 | 0 | 111.8 | H1273 | S1271-H1273 PolarHBondContact O-N 3.11Å; S1271-H1273 PolarHBondContact OG-CD2 2.91Å | ||
| 1272 | L | 29.1 | Very low | 35.6 | Very low | 185 Ų | 185 | 121.7 Ų | 121.7 | 97% | 0.969 | 70% | 0.7 | S | S | * | * | trans | -71.5 | 55.1 | 177.1 | -85.7 | 148.9 | 0 | 0 | 0 | 113.2 | ||||
| 1273 | H | 31.7 | Very low | 37.1 | Very low | 146 Ų | 146 | 117.2 Ų | 117.2 | 68% | 0.676 | 67% | 0.672 | S | S | * | * | trans | -106.3 | 125.1 | 180 | -68.3 | -43.3 | 0 | 0 | 0 | 111.9 | S1271 | S1271-H1273 PolarHBondContact O-N 3.11Å; S1271-H1273 PolarHBondContact OG-CD2 2.91Å | ||
| 1274 | H | 34.2 | Very low | 39.1 | Very low | 161 Ų | 161 | 110.3 Ų | 110.3 | 75% | 0.745 | 65% | 0.645 | S | S | * | * | trans | 65.4 | 46.2 | 168.4 | -60.3 | -66.6 | 0 | 0 | 0 | 118.5 | S1276 | H1274-S1276 PolarHBondContact ND1-OG 2.93Š| ||
| 1275 | L | 40.1 | Very low | 41.5 | Very low | 117 Ų | 117 | 107.8 Ų | 107.8 | 61% | 0.613 | 62% | 0.616 | S | S | * | * | trans | -91.3 | 83 | 138.1 | -92.6 | 164.6 | 0 | 0 | 0 | 107.6 | W1189 L1300 | W1189-L1275 HydrophobicContact CE3-CD1 4.14Å; W1189-L1275 HydrophobicContact CZ3-CD1 4Å; L1275-L1300 HydrophobicContact CD2-CB 4.4Å | ||
| 1276 | S | 30.6 | Very low | 43.7 | Very low | 89 Ų | 89 | 102.4 Ų | 102.4 | 62% | 0.622 | 58% | 0.578 | S | S | * | * | trans | -135.2 | 50.2 | -169.7 | 65.1 | 0 | 0 | 0 | 0 | 113.7 | H1274 | H1274-S1276 PolarHBondContact ND1-OG 2.93Š| ||
| 1277 | E | 47 | Very low | 46.4 | Very low | 168 Ų | 168 | 95.4 Ų | 95.4 | 79% | 0.785 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -108.2 | 134.8 | 147.2 | -70.9 | -161.9 | 142.8 | 0 | 0 | 108.2 | L1279 | E1277-L1279 PolarHBondContact O-N 2.84Š|
| 1278 | S | 46.2 | Very low | 49 | Very low | 112 Ų | 112 | 88.9 Ų | 88.9 | 78% | 0.783 | 51% | 0.508 | S | S | * | . | trans | -74.5 | 112.6 | -170.2 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | S1280 | S1278-S1280 VanDerWaalsContact C-N 3.26Å; S1278-S1280 PolarHBondContact O-N 3.16Å | ||
| 1279 | L | 52.5 | Low | 51.7 | Low | 28 Ų | 28 | 80.3 Ų | 80.3 | 15% | 0.147 | 47% | 0.471 | C | S | . | . | trans | -61.8 | 87.1 | 162 | -84.3 | 162.5 | 0 | 0 | 0 | 109.6 | I1193 E1277 A1281 H1286 L1300 S1302 | I1193-L1279 HydrophobicContact CD1-CD1 3.66Å; I1193-L1279 HydrophobicContact CG2-CB 4.33Å; I1193-L1279 HydrophobicContact CG2-CD1 4.17Å; E1277-L1279 PolarHBondContact O-N 2.84Å; L1279-A1281 PolarHBondContact O-N 3.29Å; L1279-H1286 VanDerWaalsContact CD2-CE1 3.5Å; L1279-H1286 WeakPolarHBondContact CD2-CE1 3.14Å; L1279-H1286 WeakPolarHBondContact CD2-ND1 3.31Å; L1279-L1300 HydrophobicContact CD1-CD2 4.25Å; L1279-S1302 VanDerWaalsContact CD2-OG 3.22Å; L1279-S1302 WeakPolarHBondContact CD2-OG 3.29Å | ||
| 1280 | S | 51.4 | Low | 54.4 | Low | 64 Ų | 64 | 74.9 Ų | 74.9 | 45% | 0.448 | 43% | 0.433 | S | S | . | . | trans | -65.8 | 131.9 | 179.2 | 49.7 | 0 | 0 | 0 | 0 | 110.6 | S1278 G1282 T1283 | S1278-S1280 VanDerWaalsContact C-N 3.26Å; S1278-S1280 PolarHBondContact O-N 3.16Å; S1280-G1282 PolarHBondContact O-N 2.89Å; S1280-T1283 PolarHBondContact O-N 3.43Å; S1280-T1283 VanDerWaalsContact O-N 3.15Å; S1280-T1283 PolarHBondContact O-OG1 2.85Å; S1280-T1283 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 1281 | A | 46.7 | Very low | 57.1 | Low | 103 Ų | 103 | 69.2 Ų | 69.2 | 85% | 0.851 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 123.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L1279 | L1279-A1281 PolarHBondContact O-N 3.29Š|
| 1282 | G | 55.6 | Low | 59.4 | Low | 51 Ų | 51 | 65.9 Ų | 65.9 | 53% | 0.526 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.8 | -5.7 | -176 | 0 | 0 | 0 | 0 | 0 | 115.7 | S1280 | S1280-G1282 PolarHBondContact O-N 2.89Š|
| 1283 | T | 61.8 | Low | 61.5 | Low | 15 Ų | 15 | 60.9 Ų | 60.9 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | trans | -69.6 | 149.3 | 170.2 | 45.6 | 0 | 0 | 0 | 0 | 112.7 | T1223 S1280 T1304 | T1223-T1283 PolarHBondContact OG1-O 3.43Å; S1280-T1283 PolarHBondContact O-N 3.43Å; S1280-T1283 VanDerWaalsContact O-N 3.15Å; S1280-T1283 PolarHBondContact O-OG1 2.85Å; S1280-T1283 WeakPolarHBondContact OG-CG2 3.34Å; T1283-T1304 HydrophobicContact CG2-CG2 4.32Å | ||
| 1284 | I | 70.8 | Confident | 63.4 | Low | 62 Ų | 62 | 58 Ų | 58 | 32% | 0.318 | 35% | 0.35 | S | S | . | . | trans | -139.7 | 165.2 | 177.4 | 62.6 | 174.4 | 0 | 0 | 0 | 110.1 | C1306 | I1284-C1306 VanDerWaalsContact CG1-SG 3.56Š| ||
| 1285 | N | 77.8 | Confident | 65.1 | Low | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | trans | 58.1 | 57.7 | -179.5 | -64.9 | 21.7 | 0 | 0 | 0 | 113.7 | I1220 V1221 Q1222 C1306 A1307 | I1220-N1285 HydrophobicContact CG2-CB 3.9Å; V1221-N1285 CarbonylContact O-C 3.55Å; V1221-N1285 VanDerWaalsContact O-CA 3.26Å; V1221-N1285 WeakPolarHBondContact O-CA 3.43Å; V1221-N1285 PolarHBondContact O-N 2.87Å; Q1222-N1285 PolarHBondContact NE2-OD1 3.13Å; N1285-C1306 HydrophobicContact CB-CB 4.04Å; N1285-A1307 PolarHBondContact ND2-O 2.68Å | ||
| 1286 | H | 78.5 | Confident | 66.7 | Low | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 131.8 | 175.7 | -44 | -78.2 | 0 | 0 | 0 | 110.6 | I1220 V1221 T1223 L1279 L1300 I1301 S1302 | I1220-H1286 CarbonylContact C-O 3.34Å; I1220-H1286 WeakPolarHBondContact CA-O 3.35Å; V1221-H1286 PolarHBondContact N-O 3.23Å; V1221-H1286 PolarHBondContact O-N 3.06Å; T1223-H1286 PolarHBondContact OG1-NE2 3.27Å; L1279-H1286 VanDerWaalsContact CD2-CE1 3.5Å; L1279-H1286 WeakPolarHBondContact CD2-CE1 3.14Å; L1279-H1286 WeakPolarHBondContact CD2-ND1 3.31Å; H1286-L1300 HydrophobicContact CB-CD1 4.07Å; H1286-I1301 CarbonylContact C-O 3.59Å; H1286-I1301 WeakPolarHBondContact CA-O 3.48Å; H1286-S1302 PolarHBondContact ND1-OG 2.94Å |
| 1287 | V | 82 | Confident | 68.7 | Low | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.9 | 173.6 | -173 | 0 | 0 | 0 | 0 | 108.8 | I1220 L1300 I1301 P1303 A1307 V1310 I1344 | I1220-V1287 HydrophobicContact CG1-CG2 4.25Å; V1287-L1300 CarbonylContact O-C 3.59Å; V1287-L1300 WeakPolarHBondContact O-CA 3.19Å; V1287-I1301 HydrophobicContact CB-CB 4.43Å; V1287-I1301 PolarHBondContact N-O 2.79Å; V1287-I1301 PolarHBondContact O-N 3.4Å; V1287-P1303 HydrophobicContact CG2-CG 3.97Å; V1287-A1307 HydrophobicContact CG2-CB 3.89Å; V1287-V1310 HydrophobicContact CG1-CG2 4.38Å; V1287-I1344 HydrophobicContact CG1-CG2 4.13Å; V1287-I1344 HydrophobicContact CG2-CG2 4.34Å |
| 1288 | V | 82.7 | Confident | 70.2 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.055 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.9 | -179.6 | -145.6 | 0 | 0 | 0 | 0 | 110.4 | G1218 F1219 V1221 F1290 H1299 L1300 | G1218-V1288 WeakPolarHBondContact CA-O 3.01Å; F1219-V1288 HydrophobicContact CD2-CG2 4.42Å; F1219-V1288 HydrophobicContact CE1-CB 4.46Å; F1219-V1288 HydrophobicContact CE2-CB 4.15Å; F1219-V1288 HydrophobicContact CE2-CG2 4.01Å; F1219-V1288 HydrophobicContact CZ-CB 4.08Å; F1219-V1288 HydrophobicContact CZ-CG2 4.4Å; F1219-V1288 PolarHBondContact N-O 2.69Å; F1219-V1288 PolarHBondContact O-N 3.17Å; V1221-V1288 HydrophobicContact CG2-CG2 3.93Å; V1288-F1290 HydrophobicContact CB-CE2 4.15Å; V1288-F1290 HydrophobicContact CG1-CD2 4.06Å; V1288-F1290 HydrophobicContact CG1-CE2 3.44Å; V1288-F1290 VanDerWaalsContact CG1-CE2 3.44Å; V1288-F1290 HydrophobicContact CG1-CZ 4.27Å; V1288-H1299 WeakPolarHBondContact CA-O 3.29Å; V1288-L1300 HydrophobicContact CB-CD1 4.39Å; V1288-L1300 HydrophobicContact CG1-CB 4.45Å; V1288-L1300 HydrophobicContact CG1-CD1 4Å; V1288-L1300 HydrophobicContact CG2-CD1 3.8Å |
| 1289 | I | 84.8 | Confident | 71.8 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.2 | 179.1 | -61.9 | 165.5 | 0 | 0 | 0 | 109.3 | V1217 P1297 L1298 H1299 F1342 L1355 | V1217-I1289 WeakPolarHBondContact O-CA 3.34Å; I1289-P1297 CarbonylContact O-C 3.15Å; I1289-P1297 WeakPolarHBondContact O-CA 3.35Å; I1289-L1298 HydrophobicContact CG2-CB 4.31Å; I1289-L1298 HydrophobicContact CG2-CD1 4.1Å; I1289-L1298 PolarHBondContact O-N 2.72Å; I1289-H1299 PolarHBondContact N-O 3.18Å; I1289-F1342 HydrophobicContact CD1-CD1 3.78Å; I1289-F1342 HydrophobicContact CD1-CD2 3.77Å; I1289-F1342 HydrophobicContact CD1-CE1 3.65Å; I1289-F1342 HydrophobicContact CD1-CE2 3.67Å; I1289-F1342 HydrophobicContact CD1-CG 3.83Å; I1289-F1342 HydrophobicContact CD1-CZ 3.6Å; I1289-L1355 HydrophobicContact CD1-CD1 4.32Å; I1289-L1355 HydrophobicContact CG2-CD1 4.09Å |
| 1290 | F | 84.5 | Confident | 72.9 | Confident | 3 Ų | 3 | 40.9 Ų | 40.9 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 146.9 | 179.1 | -75.3 | -101.2 | 0 | 0 | 0 | 112.1 | I1184 Y1216 V1217 F1219 V1288 G1295 K1296 P1297 | I1184-F1290 HydrophobicContact CD1-CB 3.92Å; I1184-F1290 HydrophobicContact CD1-CD1 4.04Å; I1184-F1290 HydrophobicContact CD1-CD2 4.13Å; I1184-F1290 HydrophobicContact CD1-CG 3.8Å; I1184-F1290 HydrophobicContact CG1-CD1 4.42Å; I1184-F1290 HydrophobicContact CG2-CD1 4.42Å; I1184-F1290 HydrophobicContact CG2-CD2 4.12Å; I1184-F1290 HydrophobicContact CG2-CE1 3.96Å; I1184-F1290 HydrophobicContact CG2-CE2 3.59Å; I1184-F1290 HydrophobicContact CG2-CZ 3.51Å; Y1216-F1290 WeakPolarHBondContact CA-O 3.28Å; V1217-F1290 HydrophobicContact CG1-CB 4.02Å; V1217-F1290 PolarHBondContact N-O 3.19Å; V1217-F1290 PolarHBondContact O-N 2.82Å; F1219-F1290 AromaticContact CE1-CD2 3.63Å; F1219-F1290 HydrophobicContact CE1-CD2 3.63Å; F1219-F1290 AromaticContact CE1-CE2 3.91Å; F1219-F1290 HydrophobicContact CE1-CE2 3.91Å; F1219-F1290 AromaticContact CZ-CD2 3.95Å; F1219-F1290 HydrophobicContact CZ-CD2 3.95Å; F1219-F1290 AromaticContact CZ-CE2 3.71Å; F1219-F1290 HydrophobicContact CZ-CE2 3.71Å; V1288-F1290 HydrophobicContact CB-CE2 4.15Å; V1288-F1290 HydrophobicContact CG1-CD2 4.06Å; V1288-F1290 HydrophobicContact CG1-CE2 3.44Å; V1288-F1290 VanDerWaalsContact CG1-CE2 3.44Å; V1288-F1290 HydrophobicContact CG1-CZ 4.27Å; F1290-G1295 WeakPolarHBondContact CD1-O 3.48Å; F1290-K1296 WeakPolarHBondContact CA-O 3.47Å; F1290-P1297 HydrophobicContact CD1-CB 3.84Å; F1290-P1297 HydrophobicContact CD1-CG 4.32Å; F1290-P1297 HydrophobicContact CE1-CB 3.6Å; F1290-P1297 HydrophobicContact CE1-CG 3.82Å; F1290-P1297 HydrophobicContact CE2-CB 4.31Å; F1290-P1297 HydrophobicContact CG-CB 4.29Å; F1290-P1297 HydrophobicContact CZ-CB 3.85Å; F1290-P1297 HydrophobicContact CZ-CG 4.29Å |
| 1291 | E | 81.6 | Confident | 74.1 | Confident | 52 Ų | 52 | 39.3 Ų | 39.3 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 122.5 | 165.9 | 179.3 | 175.6 | -128.6 | 0 | 0 | 109.7 | Y1216 T1293 T1294 G1295 K1296 L1298 | Y1216-E1291 HydrophobicContact CD1-CB 4.26Å; Y1216-E1291 HydrophobicContact CE1-CB 4.42Å; Y1216-E1291 HydrophobicContact CE1-CG 4.43Å; E1291-T1293 PolarHBondContact O-N 3.01Å; E1291-T1294 WeakPolarHBondContact CB-OG1 3.3Å; E1291-T1294 HydrophobicContact CG-CG2 4.24Å; E1291-T1294 WeakPolarHBondContact CG-OG1 3.5Å; E1291-T1294 WeakPolarHBondContact OE2-CB 3.17Å; E1291-T1294 WeakPolarHBondContact OE2-CG2 3.16Å; E1291-T1294 PolarHBondContact OE2-OG1 2.86Å; E1291-G1295 WeakPolarHBondContact O-CA 3.48Å; E1291-G1295 PolarHBondContact O-N 2.82Å; E1291-K1296 PolarHBondContact N-O 3.38Å; E1291-L1298 HydrophobicContact CB-CD1 4.41Å |
| 1292 | L | 78.4 | Confident | 75.2 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -31.6 | -170.5 | -76.2 | 171.3 | 0 | 0 | 0 | 113.6 | T1148 I1155 I1167 I1212 D1215 V1217 | T1148-L1292 HydrophobicContact CG2-CD1 3.67Å; I1155-L1292 HydrophobicContact CD1-CD2 3.74Å; I1167-L1292 HydrophobicContact CD1-CD2 3.94Å; I1212-L1292 HydrophobicContact CG2-CD1 4.35Å; D1215-L1292 WeakPolarHBondContact O-CB 3.36Å; D1215-L1292 PolarHBondContact O-N 3.36Å; V1217-L1292 HydrophobicContact CB-CD2 3.9Å; V1217-L1292 HydrophobicContact CB-CG 4.3Å; V1217-L1292 HydrophobicContact CG1-CD2 3.6Å; V1217-L1292 HydrophobicContact CG1-CG 4.2Å |
| 1293 | T | 72.8 | Confident | 75.4 | Confident | 80 Ų | 80 | 34.4 Ų | 34.4 | 49% | 0.491 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -24.6 | -175.1 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | E1291 | E1291-T1293 PolarHBondContact O-N 3.01Š|
| 1294 | T | 72.4 | Confident | 75.5 | Confident | 84 Ų | 84 | 39 Ų | 39 | 52% | 0.515 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -16.5 | -176.9 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | E1291 K1296 | E1291-T1294 WeakPolarHBondContact CB-OG1 3.3Å; E1291-T1294 HydrophobicContact CG-CG2 4.24Å; E1291-T1294 WeakPolarHBondContact CG-OG1 3.5Å; E1291-T1294 WeakPolarHBondContact OE2-CB 3.17Å; E1291-T1294 WeakPolarHBondContact OE2-CG2 3.16Å; E1291-T1294 PolarHBondContact OE2-OG1 2.86Å; T1294-K1296 PolarHBondContact O-N 3.19Å; T1294-K1296 WeakPolarHBondContact OG1-CB 3.43Å; T1294-K1296 PolarHBondContact OG1-N 3.09Å |
| 1295 | G | 69.3 | Low | 74.9 | Confident | 39 Ų | 39 | 39.8 Ų | 39.8 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | trans | 67.7 | 11.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F1290 E1291 | F1290-G1295 WeakPolarHBondContact CD1-O 3.48Å; E1291-G1295 WeakPolarHBondContact O-CA 3.48Å; E1291-G1295 PolarHBondContact O-N 2.82Å | ||
| 1296 | K | 74.2 | Confident | 74.6 | Confident | 123 Ų | 123 | 41.7 Ų | 41.7 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | trans | -82.4 | 126.8 | -176.2 | -172.6 | -175.3 | 174.7 | -171.5 | 0 | 110.7 | F1290 E1291 T1294 | F1290-K1296 WeakPolarHBondContact CA-O 3.47Å; E1291-K1296 PolarHBondContact N-O 3.38Å; T1294-K1296 PolarHBondContact O-N 3.19Å; T1294-K1296 WeakPolarHBondContact OG1-CB 3.43Å; T1294-K1296 PolarHBondContact OG1-N 3.09Å | ||
| 1297 | P | 72.4 | Confident | 74.5 | Confident | 30 Ų | 30 | 41.7 Ų | 41.7 | 20% | 0.195 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 141 | 168.3 | 24.9 | -25.7 | 0 | 0 | 0 | 110.5 | W1189 I1289 F1290 | W1189-P1297 HydrophobicContact CD2-CG 4.38Å; W1189-P1297 HydrophobicContact CE3-CG 4Å; W1189-P1297 HydrophobicContact CH2-CG 3.28Å; W1189-P1297 HydrophobicContact CZ2-CG 3.68Å; W1189-P1297 HydrophobicContact CZ3-CG 3.44Å; W1189-P1297 VanDerWaalsContact CZ3-CG 3.44Å; I1289-P1297 CarbonylContact O-C 3.15Å; I1289-P1297 WeakPolarHBondContact O-CA 3.35Å; F1290-P1297 HydrophobicContact CD1-CB 3.84Å; F1290-P1297 HydrophobicContact CD1-CG 4.32Å; F1290-P1297 HydrophobicContact CE1-CB 3.6Å; F1290-P1297 HydrophobicContact CE1-CG 3.82Å; F1290-P1297 HydrophobicContact CE2-CB 4.31Å; F1290-P1297 HydrophobicContact CG-CB 4.29Å; F1290-P1297 HydrophobicContact CZ-CB 3.85Å; F1290-P1297 HydrophobicContact CZ-CG 4.29Å |
| 1298 | L | 77.7 | Confident | 74.4 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 28% | 0.277 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -47.8 | 175.5 | -71.3 | 159.9 | 0 | 0 | 0 | 110.4 | Y1216 I1289 E1291 | Y1216-L1298 HydrophobicContact CD1-CD1 3.5Å; Y1216-L1298 HydrophobicContact CE1-CD1 3.69Å; I1289-L1298 HydrophobicContact CG2-CB 4.31Å; I1289-L1298 HydrophobicContact CG2-CD1 4.1Å; I1289-L1298 PolarHBondContact O-N 2.72Å; E1291-L1298 HydrophobicContact CB-CD1 4.41Å |
| 1299 | H | 79.1 | Confident | 74.3 | Confident | 36 Ų | 36 | 44.1 Ų | 44.1 | 17% | 0.167 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.6 | -176.2 | -55.2 | -71.2 | 0 | 0 | 0 | 111.6 | V1288 I1289 I1301 L1355 G1358 | V1288-H1299 WeakPolarHBondContact CA-O 3.29Å; I1289-H1299 PolarHBondContact N-O 3.18Å; H1299-I1301 HydrophobicContact CB-CD1 4.3Å; H1299-I1301 HydrophobicContact CB-CG1 4.2Å; H1299-L1355 PolarHBondContact NE2-O 2.92Å; H1299-G1358 VanDerWaalsContact CE1-CA 3.41Å; H1299-G1358 WeakPolarHBondContact CE1-CA 3.35Å; H1299-G1358 PolarHBondContact CE1-N 3.17Å |
| 1300 | L | 75.6 | Confident | 74.3 | Confident | 35 Ų | 35 | 44.1 Ų | 44.1 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 104.7 | 169.2 | 173.2 | 62.1 | 0 | 0 | 0 | 107.7 | L1275 L1279 H1286 V1287 V1288 | L1275-L1300 HydrophobicContact CD2-CB 4.4Å; L1279-L1300 HydrophobicContact CD1-CD2 4.25Å; H1286-L1300 HydrophobicContact CB-CD1 4.07Å; V1287-L1300 CarbonylContact O-C 3.59Å; V1287-L1300 WeakPolarHBondContact O-CA 3.19Å; V1288-L1300 HydrophobicContact CB-CD1 4.39Å; V1288-L1300 HydrophobicContact CG1-CB 4.45Å; V1288-L1300 HydrophobicContact CG1-CD1 4Å; V1288-L1300 HydrophobicContact CG2-CD1 3.8Å |
| 1301 | I | 76.8 | Confident | 74.3 | Confident | 31 Ų | 31 | 46 Ų | 46 | 16% | 0.159 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.4 | -170.3 | -51.1 | 175.9 | 0 | 0 | 0 | 108.9 | H1286 V1287 H1299 P1303 F1342 | H1286-I1301 CarbonylContact C-O 3.59Å; H1286-I1301 WeakPolarHBondContact CA-O 3.48Å; V1287-I1301 HydrophobicContact CB-CB 4.43Å; V1287-I1301 PolarHBondContact N-O 2.79Å; V1287-I1301 PolarHBondContact O-N 3.4Å; H1299-I1301 HydrophobicContact CB-CD1 4.3Å; H1299-I1301 HydrophobicContact CB-CG1 4.2Å; I1301-P1303 VanDerWaalsContact C-CD 3.49Å; I1301-P1303 VanDerWaalsContact O-CD 3.22Å; I1301-P1303 WeakPolarHBondContact O-CD 3Å; I1301-F1342 HydrophobicContact CD1-CE2 4.17Å; I1301-F1342 HydrophobicContact CD1-CZ 3.91Å |
| 1302 | S | 69.5 | Low | 74.4 | Confident | 35 Ų | 35 | 43.6 Ų | 43.6 | 25% | 0.245 | 26% | 0.258 | C | S | . | . | trans | -114.8 | 77.2 | 177.3 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | L1279 H1286 | L1279-S1302 VanDerWaalsContact CD2-OG 3.22Å; L1279-S1302 WeakPolarHBondContact CD2-OG 3.29Å; H1286-S1302 PolarHBondContact ND1-OG 2.94Å | ||
| 1303 | P | 61.5 | Low | 74.2 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 10% | 0.104 | 26% | 0.262 | C | S | . | . | trans | -67.5 | 135.5 | -173.7 | 27 | -33.2 | 0 | 0 | 0 | 111.9 | V1287 I1301 P1305 A1307 I1344 | V1287-P1303 HydrophobicContact CG2-CG 3.97Å; I1301-P1303 VanDerWaalsContact C-CD 3.49Å; I1301-P1303 VanDerWaalsContact O-CD 3.22Å; I1301-P1303 WeakPolarHBondContact O-CD 3Å; P1303-P1305 CarbonylContact C-O 3.51Å; P1303-P1305 CarbonylContact O-C 3.44Å; P1303-P1305 VanDerWaalsContact O-C 3.31Å; P1303-A1307 HydrophobicContact CB-CB 4.49Å; P1303-A1307 HydrophobicContact CG-CB 3.53Å; P1303-I1344 HydrophobicContact CB-CD1 4.48Å | ||
| 1304 | T | 63 | Low | 74 | Confident | 112 Ų | 112 | 43.1 Ų | 43.1 | 69% | 0.687 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -122.3 | 116.4 | 175.9 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | T1283 | T1283-T1304 HydrophobicContact CG2-CG2 4.32Š|
| 1305 | P | 59.2 | Low | 73.3 | Confident | 78 Ų | 78 | 40.9 Ų | 40.9 | 51% | 0.506 | 24% | 0.241 | S | C | . | . | S | Bend | cis | -66.7 | 163.8 | -2.9 | 29.2 | -37.4 | 0 | 0 | 0 | 114.7 | P1303 S1346 A1347 | P1303-P1305 CarbonylContact C-O 3.51Å; P1303-P1305 CarbonylContact O-C 3.44Å; P1303-P1305 VanDerWaalsContact O-C 3.31Å; P1305-S1346 WeakPolarHBondContact CD-OG 3.48Å; P1305-A1347 HydrophobicContact CG-CB 3.98Å |
| 1306 | C | 71.4 | Confident | 72.5 | Confident | 50 Ų | 50 | 42.6 Ų | 42.6 | 34% | 0.338 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -54.6 | 134.6 | -171.6 | -46.9 | 0 | 0 | 0 | 0 | 113.8 | I1284 N1285 | I1284-C1306 VanDerWaalsContact CG1-SG 3.56Å; N1285-C1306 HydrophobicContact CB-CB 4.04Å |
| 1307 | A | 76.5 | Confident | 71 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 151.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1220 N1285 V1287 P1303 N1345 | I1220-A1307 HydrophobicContact CD1-CB 4.07Å; N1285-A1307 PolarHBondContact ND2-O 2.68Å; V1287-A1307 HydrophobicContact CG2-CB 3.89Å; P1303-A1307 HydrophobicContact CB-CB 4.49Å; P1303-A1307 HydrophobicContact CG-CB 3.53Å; A1307-N1345 VanDerWaalsContact CA-O 3.29Å; A1307-N1345 WeakPolarHBondContact CA-O 3.3Å; A1307-N1345 VanDerWaalsContact CB-O 3.27Å; A1307-N1345 WeakPolarHBondContact CB-O 3.34Å |
| 1308 | T | 78.3 | Confident | 69.4 | Low | 56 Ų | 56 | 53.2 Ų | 53.2 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | trans | -129.8 | -15.2 | 178.2 | 55.4 | 0 | 0 | 0 | 0 | 114.1 | F1209 N1345 | F1209-T1308 WeakPolarHBondContact CD2-O 3.48Å; T1308-N1345 PolarHBondContact N-OD1 3.4Å; T1308-N1345 PolarHBondContact OG1-ND2 3.16Å; T1308-N1345 PolarHBondContact OG1-OD1 3.07Å | ||
| 1309 | L | 82 | Confident | 67.3 | Low | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | trans | -140.1 | 141.9 | -179.6 | 177.8 | 148.6 | 0 | 0 | 0 | 110.1 | F1209 K1311 I1344 N1345 I1373 | F1209-L1309 HydrophobicContact CD2-CB 4.41Å; F1209-L1309 HydrophobicContact CE1-CG 4.44Å; F1209-L1309 HydrophobicContact CE2-CB 4.19Å; F1209-L1309 HydrophobicContact CE2-CD1 4.11Å; F1209-L1309 HydrophobicContact CE2-CG 3.94Å; F1209-L1309 HydrophobicContact CZ-CD1 4.14Å; F1209-L1309 HydrophobicContact CZ-CG 3.87Å; L1309-K1311 HydrophobicContact CD2-CB 4.39Å; L1309-I1344 WeakPolarHBondContact O-CA 3.45Å; L1309-N1345 PolarHBondContact N-OD1 3.47Å; L1309-N1345 PolarHBondContact O-N 3.12Å; L1309-I1373 HydrophobicContact CD1-CG1 4.3Å; L1309-I1373 HydrophobicContact CD2-CD1 3.7Å; L1309-I1373 HydrophobicContact CD2-CG1 4.17Å | ||
| 1310 | V | 84.7 | Confident | 65 | Low | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.5 | 167.2 | 56.9 | 0 | 0 | 0 | 0 | 109.3 | F1209 I1220 V1287 F1343 I1344 | F1209-V1310 HydrophobicContact CD1-CG1 3.75Å; F1209-V1310 HydrophobicContact CE1-CG1 4.43Å; F1209-V1310 WeakPolarHBondContact CE1-O 3.21Å; I1220-V1310 HydrophobicContact CD1-CB 4.47Å; I1220-V1310 HydrophobicContact CD1-CG1 4.38Å; I1220-V1310 HydrophobicContact CG1-CB 4.47Å; I1220-V1310 HydrophobicContact CG1-CG1 4.05Å; V1287-V1310 HydrophobicContact CG1-CG2 4.38Å; V1310-F1343 CarbonylContact C-O 3.47Å; V1310-F1343 VanDerWaalsContact CA-O 3.3Å; V1310-F1343 WeakPolarHBondContact CA-O 3.5Å; V1310-I1344 HydrophobicContact CB-CG2 4.03Å; V1310-I1344 HydrophobicContact CG2-CG2 3.89Å |
| 1311 | K | 83.6 | Confident | 63 | Low | 43 Ų | 43 | 72.4 Ų | 72.4 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 116.7 | 175.5 | -173 | 78.4 | -160 | 81 | 0 | 110.6 | D1211 L1309 V1313 F1342 F1343 | D1211-K1311 IonicContact OD1-NZ 3.71Å; D1211-K1311 PolarHBondContact OD1-NZ 2.82Å; D1211-K1311 WeakPolarHBondContact OD2-CA 3.39Å; D1211-K1311 WeakPolarHBondContact OD2-CD 3.07Å; D1211-K1311 IonicContact OD2-NZ 3.49Å; D1211-K1311 PolarHBondContact OD2-NZ 3.4Å; L1309-K1311 HydrophobicContact CD2-CB 4.39Å; K1311-V1313 HydrophobicContact CG-CG2 4.4Å; K1311-F1342 CarbonylContact O-C 3.58Å; K1311-F1342 VanDerWaalsContact O-CA 3.25Å; K1311-F1342 WeakPolarHBondContact O-CA 3.42Å; K1311-F1343 HydrophobicContact CB-CD2 4.34Å; K1311-F1343 PolarHBondContact N-O 3.34Å; K1311-F1343 PolarHBondContact O-N 2.94Å |
| 1312 | L | 83.3 | Confident | 60.7 | Low | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 141 | 169.1 | -55.1 | -178.6 | 0 | 0 | 0 | 110.3 | D1211 T1213 Y1216 F1342 L1355 | D1211-L1312 PolarHBondContact OD2-N 2.98Å; T1213-L1312 HydrophobicContact CG2-CB 3.56Å; T1213-L1312 HydrophobicContact CG2-CD1 4.09Å; Y1216-L1312 WeakPolarHBondContact O-CD1 3.48Å; L1312-F1342 HydrophobicContact CD2-CB 3.73Å; L1312-L1355 HydrophobicContact CD2-CD1 3.98Å |
| 1313 | V | 75.6 | Confident | 58.9 | Low | 22 Ų | 22 | 80.2 Ų | 80.2 | 13% | 0.133 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 118.2 | 171.5 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | K1311 L1341 F1343 V1375 | K1311-V1313 HydrophobicContact CG-CG2 4.4Å; V1313-L1341 PolarHBondContact N-O 3.08Å; V1313-L1341 PolarHBondContact O-N 2.85Å; V1313-L1341 VanDerWaalsContact O-O 3.13Å; V1313-F1343 HydrophobicContact CB-CE2 4.28Å; V1313-F1343 HydrophobicContact CG2-CD2 4.3Å; V1313-F1343 HydrophobicContact CG2-CE2 3.71Å; V1313-V1375 HydrophobicContact CG2-CG2 3.8Å |
| 1314 | Q | 68.4 | Low | 57.5 | Low | 55 Ų | 55 | 84.6 Ų | 84.6 | 26% | 0.257 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -102.9 | 129.8 | 179.3 | -172 | 169.3 | 10.4 | 0 | 0 | 109.3 | T1213 D1215 S1316 | T1213-Q1314 HydrophobicContact CG2-CB 4.12Å; D1215-Q1314 PolarHBondContact OD2-NE2 2.82Å; Q1314-S1316 PolarHBondContact O-N 2.76Å |
| 1315 | A | 58 | Low | 55.9 | Low | 36 Ų | 36 | 86.7 Ų | 86.7 | 30% | 0.298 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 116.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R1317 D1340 | A1315-R1317 PolarHBondContact O-N 3.02Å; A1315-D1340 PolarHBondContact N-OD1 3.35Å |
| 1316 | S | 51.8 | Low | 54.6 | Low | 76 Ų | 76 | 90.1 Ų | 90.1 | 53% | 0.531 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -63 | 129.2 | -175.5 | 44.5 | 0 | 0 | 0 | 0 | 112.2 | Q1314 I1318 N1379 | Q1314-S1316 PolarHBondContact O-N 2.76Å; S1316-I1318 PolarHBondContact O-N 3.02Å; S1316-N1379 PolarHBondContact OG-ND2 3.2Å |
| 1317 | R | 42.9 | Very low | 52.7 | Low | 237 Ų | 237 | 92.1 Ų | 92.1 | 89% | 0.894 | 50% | 0.504 | S | S | * | . | trans | -70.3 | 94.2 | 168.1 | -69.1 | -176 | -178.2 | 176.4 | 2.2 | 108.7 | A1315 N1319 | A1315-R1317 PolarHBondContact O-N 3.02Å; R1317-N1319 PolarHBondContact O-N 2.71Å; R1317-N1319 VanDerWaalsContact O-N 3.13Å | ||
| 1318 | I | 39.6 | Very low | 50.5 | Low | 139 Ų | 139 | 99 Ų | 99 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | trans | -67.4 | 110.6 | 173.8 | -61.3 | 176.7 | 0 | 0 | 0 | 107.8 | S1316 E1320 | S1316-I1318 PolarHBondContact O-N 3.02Å; I1318-E1320 PolarHBondContact O-N 3.48Å | ||
| 1319 | N | 32.6 | Very low | 48.4 | Very low | 148 Ų | 148 | 103.5 Ų | 103.5 | 79% | 0.791 | 56% | 0.562 | S | S | * | * | trans | -69.7 | 95.8 | 171.2 | -76.5 | -24.5 | 0 | 0 | 0 | 109.2 | R1317 K1321 | R1317-N1319 PolarHBondContact O-N 2.71Å; R1317-N1319 VanDerWaalsContact O-N 3.13Å; N1319-K1321 PolarHBondContact O-N 3.02Å | ||
| 1320 | E | 31.3 | Very low | 46 | Very low | 185 Ų | 185 | 109.6 Ų | 109.6 | 86% | 0.864 | 59% | 0.594 | S | S | * | * | trans | -61.7 | 127.1 | 170.1 | -66.4 | -166.6 | 149.5 | 0 | 0 | 109.9 | I1318 | I1318-E1320 PolarHBondContact O-N 3.48Š| ||
| 1321 | K | 33.4 | Very low | 43.5 | Very low | 193 Ų | 193 | 116.3 Ų | 116.3 | 84% | 0.839 | 63% | 0.63 | S | S | * | * | trans | -85.5 | 145.4 | -178.1 | -72.7 | -179.5 | 176.5 | 177.3 | 0 | 110.9 | N1319 | N1319-K1321 PolarHBondContact O-N 3.02Š| ||
| 1322 | S | 29.4 | Very low | 40.9 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 66% | 0.663 | S | S | * | * | trans | 58 | 95 | 154.4 | 56.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1323 | S | 31 | Very low | 38.4 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | -162.2 | 144 | 112.4 | 45.8 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1324 | P | 32.3 | Very low | 36.1 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | trans | -90.3 | 152.4 | 173.9 | 35.3 | -32.8 | 0 | 0 | 0 | 111.8 | ||||
| 1325 | N | 28.3 | Very low | 34.4 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | trans | 66.6 | 104.4 | 172.8 | -44.7 | -38.2 | 0 | 0 | 0 | 116.2 | ||||
| 1326 | V | 33.4 | Very low | 33.2 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | -160.3 | 153.7 | 118 | 142.2 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 1327 | S | 31.2 | Very low | 32.4 | Very low | 92 Ų | 92 | 152.4 Ų | 152.4 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | -121.9 | 150.7 | -171.5 | 57.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1328 | I | 29.7 | Very low | 32.7 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | 72.4 | 136 | 163.2 | -59 | 153.6 | 0 | 0 | 0 | 111.3 | ||||
| 1329 | D | 33.9 | Very low | 33.3 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | cis | -148.1 | 177.2 | 31.9 | -138 | -30.8 | 0 | 0 | 0 | 113.3 | ||||
| 1330 | D | 31.7 | Very low | 35.2 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | trans | -72.8 | 158 | 178.3 | -83.6 | -51.8 | 0 | 0 | 0 | 114.8 | ||||
| 1331 | N | 32.1 | Very low | 37.5 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | trans | 78.3 | 86.9 | 166.5 | -42.8 | -83.7 | 0 | 0 | 0 | 118 | ||||
| 1332 | N | 29.2 | Very low | 40 | Very low | 163 Ų | 163 | 115 Ų | 115 | 87% | 0.872 | 64% | 0.639 | S | S | * | * | 170.6 | 60.9 | 129.7 | -88 | -41.3 | 0 | 0 | 0 | 113.9 | |||||
| 1333 | E | 29.7 | Very low | 42.7 | Very low | 187 Ų | 187 | 109.7 Ų | 109.7 | 87% | 0.874 | 60% | 0.602 | S | S | * | * | trans | -123.2 | 82.5 | 171 | -70.8 | -154.1 | 157.7 | 0 | 0 | 113.7 | ||||
| 1334 | S | 29.3 | Very low | 45.2 | Very low | 101 Ų | 101 | 104.1 Ų | 104.1 | 71% | 0.706 | 56% | 0.564 | S | S | * | * | trans | -74.4 | 151.4 | 148.2 | 58.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1335 | I | 30.8 | Very low | 47.8 | Very low | 153 Ų | 153 | 99 Ų | 99 | 79% | 0.785 | 53% | 0.53 | S | S | * | . | trans | 81.9 | 71.6 | 172.7 | -42.7 | 157.9 | 0 | 0 | 0 | 114.8 | ||||
| 1336 | N | 33.3 | Very low | 50.2 | Low | 150 Ų | 150 | 92.3 Ų | 92.3 | 80% | 0.802 | 50% | 0.496 | S | S | * | . | trans | -158.7 | 49.4 | 151.8 | -107.6 | -25.3 | 0 | 0 | 0 | 112.4 | ||||
| 1337 | R | 35.9 | Very low | 52.3 | Low | 238 Ų | 238 | 86.9 Ų | 86.9 | 90% | 0.898 | 47% | 0.466 | S | S | * | . | trans | -81.8 | 119.1 | 172.2 | -74.3 | -173.7 | 177.7 | -179.8 | -0 | 110.1 | C1339 | R1337-C1339 PolarHBondContact O-N 3.35Š| ||
| 1338 | S | 49.4 | Very low | 54.7 | Low | 71 Ų | 71 | 85.8 Ų | 85.8 | 50% | 0.497 | 45% | 0.453 | S | S | . | . | trans | -70.5 | 110 | 169.8 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | D1340 | S1338-D1340 PolarHBondContact O-N 3.41Å; S1338-D1340 VanDerWaalsContact O-N 3.1Å | ||
| 1339 | C | 51.8 | Low | 57.3 | Low | 30 Ų | 30 | 82.3 Ų | 82.3 | 20% | 0.203 | 43% | 0.434 | C | S | . | . | trans | -75.5 | 95.8 | 175.9 | -70.4 | 0 | 0 | 0 | 0 | 110.9 | R1337 L1341 | R1337-C1339 PolarHBondContact O-N 3.35Å; C1339-L1341 HydrophobicContact CB-CD2 4.42Å; C1339-L1341 HydrophobicContact CB-CG 4.36Å | ||
| 1340 | D | 72.1 | Confident | 59.8 | Low | 6 Ų | 6 | 75.2 Ų | 75.2 | 3% | 0.032 | 40% | 0.396 | C | S | . | . | trans | -75.1 | 124.7 | 163.5 | -59.4 | -42.1 | 0 | 0 | 0 | 108.5 | A1315 S1338 H1354 L1355 K1356 | A1315-D1340 PolarHBondContact N-OD1 3.35Å; S1338-D1340 PolarHBondContact O-N 3.41Å; S1338-D1340 VanDerWaalsContact O-N 3.1Å; D1340-H1354 PolarHBondContact O-CD2 2.64Å; D1340-L1355 HydrophobicContact CB-CB 3.91Å; D1340-L1355 HydrophobicContact CB-CD2 3.98Å; D1340-L1355 WeakPolarHBondContact O-CB 3.34Å; D1340-L1355 PolarHBondContact O-N 2.83Å; D1340-K1356 IonicContact OD2-NZ 2.67Å; D1340-K1356 PolarHBondContact OD2-NZ 3.34Å | ||
| 1341 | L | 79.5 | Confident | 62.3 | Low | 9 Ų | 9 | 70 Ų | 70 | 5% | 0.047 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 154.8 | -171.8 | -64.1 | 173.8 | 0 | 0 | 0 | 111.6 | V1313 C1339 F1343 F1353 Q1361 | V1313-L1341 PolarHBondContact N-O 3.08Å; V1313-L1341 PolarHBondContact O-N 2.85Å; V1313-L1341 VanDerWaalsContact O-O 3.13Å; C1339-L1341 HydrophobicContact CB-CD2 4.42Å; C1339-L1341 HydrophobicContact CB-CG 4.36Å; L1341-F1343 HydrophobicContact CB-CZ 4.18Å; L1341-F1343 HydrophobicContact CD1-CE1 4.42Å; L1341-F1343 HydrophobicContact CD1-CZ 4.07Å; L1341-F1353 CarbonylContact C-O 3.56Å; L1341-F1353 WeakPolarHBondContact CA-O 2.86Å; L1341-Q1361 HydrophobicContact CD2-CG 4.15Å |
| 1342 | F | 85.4 | Confident | 64.8 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 148.9 | 158 | 71 | -83.7 | 0 | 0 | 0 | 111.5 | I1289 I1301 K1311 L1312 I1344 F1353 L1355 | I1289-F1342 HydrophobicContact CD1-CD1 3.78Å; I1289-F1342 HydrophobicContact CD1-CD2 3.77Å; I1289-F1342 HydrophobicContact CD1-CE1 3.65Å; I1289-F1342 HydrophobicContact CD1-CE2 3.67Å; I1289-F1342 HydrophobicContact CD1-CG 3.83Å; I1289-F1342 HydrophobicContact CD1-CZ 3.6Å; I1301-F1342 HydrophobicContact CD1-CE2 4.17Å; I1301-F1342 HydrophobicContact CD1-CZ 3.91Å; K1311-F1342 CarbonylContact O-C 3.58Å; K1311-F1342 VanDerWaalsContact O-CA 3.25Å; K1311-F1342 WeakPolarHBondContact O-CA 3.42Å; L1312-F1342 HydrophobicContact CD2-CB 3.73Å; F1342-I1344 HydrophobicContact CD2-CG2 4.06Å; F1342-I1344 HydrophobicContact CE2-CG2 4.22Å; F1342-F1353 HydrophobicContact CD1-CB 3.76Å; F1342-F1353 HydrophobicContact CD2-CB 4.14Å; F1342-F1353 HydrophobicContact CD2-CD2 4.38Å; F1342-F1353 HydrophobicContact CE1-CB 3.34Å; F1342-F1353 HydrophobicContact CE1-CG 4.2Å; F1342-F1353 HydrophobicContact CE2-CB 3.75Å; F1342-F1353 AromaticContact CE2-CD2 3.8Å; F1342-F1353 HydrophobicContact CE2-CD2 3.8Å; F1342-F1353 AromaticContact CE2-CG 3.9Å; F1342-F1353 HydrophobicContact CE2-CG 3.9Å; F1342-F1353 HydrophobicContact CG-CB 4.15Å; F1342-F1353 HydrophobicContact CZ-CB 3.34Å; F1342-F1353 HydrophobicContact CZ-CD1 4.29Å; F1342-F1353 HydrophobicContact CZ-CD2 4.08Å; F1342-F1353 AromaticContact CZ-CG 3.68Å; F1342-F1353 HydrophobicContact CZ-CG 3.68Å; F1342-F1353 PolarHBondContact N-O 2.99Å; F1342-F1353 PolarHBondContact O-N 3.12Å; F1342-L1355 HydrophobicContact CB-CD1 4.24Å; F1342-L1355 HydrophobicContact CD1-CB 4.39Å; F1342-L1355 HydrophobicContact CD1-CD1 3.67Å; F1342-L1355 HydrophobicContact CE1-CD1 4.43Å; F1342-L1355 HydrophobicContact CG-CD1 4.3Å |
| 1343 | F | 86.3 | Confident | 67.4 | Low | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.9 | 176.1 | -48.8 | -69.3 | 0 | 0 | 0 | 109.4 | V1310 K1311 V1313 L1341 L1350 L1351 F1362 L1382 I1397 | V1310-F1343 CarbonylContact C-O 3.47Å; V1310-F1343 VanDerWaalsContact CA-O 3.3Å; V1310-F1343 WeakPolarHBondContact CA-O 3.5Å; K1311-F1343 HydrophobicContact CB-CD2 4.34Å; K1311-F1343 PolarHBondContact N-O 3.34Å; K1311-F1343 PolarHBondContact O-N 2.94Å; V1313-F1343 HydrophobicContact CB-CE2 4.28Å; V1313-F1343 HydrophobicContact CG2-CD2 4.3Å; V1313-F1343 HydrophobicContact CG2-CE2 3.71Å; L1341-F1343 HydrophobicContact CB-CZ 4.18Å; L1341-F1343 HydrophobicContact CD1-CE1 4.42Å; L1341-F1343 HydrophobicContact CD1-CZ 4.07Å; F1343-L1350 HydrophobicContact CB-CD1 4.09Å; F1343-L1351 CarbonylContact C-O 3.58Å; F1343-L1351 VanDerWaalsContact CA-O 3.27Å; F1343-L1351 WeakPolarHBondContact CA-O 3.48Å; F1343-F1362 HydrophobicContact CD1-CE1 4.39Å; F1343-F1362 HydrophobicContact CD1-CE2 4.41Å; F1343-F1362 AromaticContact CD1-CZ 3.69Å; F1343-F1362 HydrophobicContact CD1-CZ 3.69Å; F1343-F1362 AromaticContact CE1-CE1 3.81Å; F1343-F1362 HydrophobicContact CE1-CE1 3.81Å; F1343-F1362 AromaticContact CE1-CZ 3.46Å; F1343-F1362 HydrophobicContact CE1-CZ 3.46Å; F1343-F1362 VanDerWaalsContact CE1-CZ 3.46Å; F1343-L1382 HydrophobicContact CD2-CD1 4.46Å; F1343-L1382 HydrophobicContact CE2-CD1 4.05Å; F1343-L1382 HydrophobicContact CE2-CD2 4.36Å; F1343-L1382 HydrophobicContact CZ-CD1 4.15Å; F1343-I1397 HydrophobicContact CE1-CD1 4.36Å; F1343-I1397 HydrophobicContact CZ-CD1 3.89Å |
| 1344 | I | 84.7 | Confident | 69.9 | Low | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155.5 | 166.7 | 61.9 | 176.4 | 0 | 0 | 0 | 109.2 | V1287 P1303 L1309 V1310 F1342 L1351 F1353 | V1287-I1344 HydrophobicContact CG1-CG2 4.13Å; V1287-I1344 HydrophobicContact CG2-CG2 4.34Å; P1303-I1344 HydrophobicContact CB-CD1 4.48Å; L1309-I1344 WeakPolarHBondContact O-CA 3.45Å; V1310-I1344 HydrophobicContact CB-CG2 4.03Å; V1310-I1344 HydrophobicContact CG2-CG2 3.89Å; F1342-I1344 HydrophobicContact CD2-CG2 4.06Å; F1342-I1344 HydrophobicContact CE2-CG2 4.22Å; I1344-L1351 HydrophobicContact CD1-CD1 4.31Å; I1344-L1351 HydrophobicContact CG1-CB 4Å; I1344-L1351 HydrophobicContact CG1-CD1 4.22Å; I1344-L1351 PolarHBondContact N-O 3.05Å; I1344-L1351 PolarHBondContact O-N 2.98Å; I1344-F1353 HydrophobicContact CD1-CD2 4.42Å; I1344-F1353 HydrophobicContact CD1-CE2 3.71Å; I1344-F1353 HydrophobicContact CD1-CZ 4.41Å; I1344-F1353 HydrophobicContact CG1-CD2 4.2Å; I1344-F1353 HydrophobicContact CG1-CE2 3.73Å |
| 1345 | N | 85.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 151.2 | 167.8 | 81.5 | -61.7 | 0 | 0 | 0 | 111.6 | A1307 T1308 L1309 A1347 H1349 P1370 | A1307-N1345 VanDerWaalsContact CA-O 3.29Å; A1307-N1345 WeakPolarHBondContact CA-O 3.3Å; A1307-N1345 VanDerWaalsContact CB-O 3.27Å; A1307-N1345 WeakPolarHBondContact CB-O 3.34Å; T1308-N1345 PolarHBondContact N-OD1 3.4Å; T1308-N1345 PolarHBondContact OG1-ND2 3.16Å; T1308-N1345 PolarHBondContact OG1-OD1 3.07Å; L1309-N1345 PolarHBondContact N-OD1 3.47Å; L1309-N1345 PolarHBondContact O-N 3.12Å; N1345-A1347 PolarHBondContact ND2-O 3.08Å; N1345-H1349 CarbonylContact C-O 3.57Å; N1345-H1349 VanDerWaalsContact CA-O 3.24Å; N1345-H1349 WeakPolarHBondContact CA-O 3.45Å; N1345-P1370 HydrophobicContact CB-CG 3.71Å |
| 1346 | S | 78.5 | Confident | 74.4 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 90.6 | 169.5 | 171 | 0 | 0 | 0 | 0 | 106.2 | P1305 D1348 H1349 | P1305-S1346 WeakPolarHBondContact CD-OG 3.48Å; S1346-D1348 PolarHBondContact O-N 3.32Å; S1346-H1349 PolarHBondContact N-O 2.89Å; S1346-H1349 PolarHBondContact O-N 2.97Å; S1346-H1349 VanDerWaalsContact O-N 3.17Å |
| 1347 | A | 78.2 | Confident | 76.4 | Confident | 35 Ų | 35 | 38.3 Ų | 38.3 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | -116.8 | -159.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P1305 N1345 L1369 | P1305-A1347 HydrophobicContact CG-CB 3.98Å; N1345-A1347 PolarHBondContact ND2-O 3.08Å; A1347-L1369 WeakPolarHBondContact O-CD1 3.16Å |
| 1348 | D | 82.4 | Confident | 78.1 | Confident | 69 Ų | 69 | 28.1 Ų | 28.1 | 37% | 0.369 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -14 | 179.9 | 42.5 | 12.7 | 0 | 0 | 0 | 114.1 | S1346 L1366 | S1346-D1348 PolarHBondContact O-N 3.32Å; D1348-L1366 WeakPolarHBondContact O-CB 3.32Å; D1348-L1366 PolarHBondContact O-N 2.97Å |
| 1349 | H | 84.1 | Confident | 79.4 | Confident | 74 Ų | 74 | 30.5 Ų | 30.5 | 34% | 0.343 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131.5 | 172.1 | -72.8 | -86 | 0 | 0 | 0 | 112 | N1345 S1346 L1351 S1363 V1364 | N1345-H1349 CarbonylContact C-O 3.57Å; N1345-H1349 VanDerWaalsContact CA-O 3.24Å; N1345-H1349 WeakPolarHBondContact CA-O 3.45Å; S1346-H1349 PolarHBondContact N-O 2.89Å; S1346-H1349 PolarHBondContact O-N 2.97Å; S1346-H1349 VanDerWaalsContact O-N 3.17Å; H1349-L1351 HydrophobicContact CB-CD2 4.44Å; H1349-S1363 PolarHBondContact ND1-OG 3.06Å; H1349-V1364 CarbonylContact C-O 3.49Å; H1349-V1364 WeakPolarHBondContact CA-O 3.47Å |
| 1350 | L | 85.6 | Confident | 80.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.8 | 165.2 | -172.3 | 70.6 | 0 | 0 | 0 | 110 | F1343 F1362 S1363 V1364 L1366 I1373 I1384 L1395 | F1343-L1350 HydrophobicContact CB-CD1 4.09Å; L1350-F1362 HydrophobicContact CD2-CE2 4.41Å; L1350-F1362 HydrophobicContact CG-CE2 4.47Å; L1350-S1363 WeakPolarHBondContact O-CA 3.25Å; L1350-V1364 PolarHBondContact N-O 3.14Å; L1350-V1364 PolarHBondContact O-N 3.35Å; L1350-L1366 HydrophobicContact CB-CD1 3.99Å; L1350-L1366 HydrophobicContact CB-CD2 4.28Å; L1350-L1366 HydrophobicContact CB-CG 4.1Å; L1350-I1373 HydrophobicContact CD1-CD1 3.71Å; L1350-I1373 HydrophobicContact CD2-CD1 4.46Å; L1350-I1384 HydrophobicContact CD2-CD1 3.76Å; L1350-L1395 HydrophobicContact CD2-CD1 4.16Å |
| 1351 | L | 85.4 | Confident | 81 | Confident | 24 Ų | 24 | 37.4 Ų | 37.4 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.6 | 177.4 | -51.6 | 179.4 | 0 | 0 | 0 | 109.3 | F1343 I1344 H1349 F1353 S1363 | F1343-L1351 CarbonylContact C-O 3.58Å; F1343-L1351 VanDerWaalsContact CA-O 3.27Å; F1343-L1351 WeakPolarHBondContact CA-O 3.48Å; I1344-L1351 HydrophobicContact CD1-CD1 4.31Å; I1344-L1351 HydrophobicContact CG1-CB 4Å; I1344-L1351 HydrophobicContact CG1-CD1 4.22Å; I1344-L1351 PolarHBondContact N-O 3.05Å; I1344-L1351 PolarHBondContact O-N 2.98Å; H1349-L1351 HydrophobicContact CB-CD2 4.44Å; L1351-F1353 HydrophobicContact CB-CD2 4.17Å; L1351-F1353 HydrophobicContact CB-CE2 3.5Å; L1351-F1353 HydrophobicContact CB-CZ 4.31Å; L1351-F1353 HydrophobicContact CD1-CE2 4.09Å; L1351-F1353 HydrophobicContact CD1-CZ 4.31Å; L1351-F1353 HydrophobicContact CG-CE2 4.45Å; L1351-S1363 WeakPolarHBondContact CD2-OG 3.48Å |
| 1352 | G | 83.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q1360 Q1361 F1362 | G1352-Q1360 CarbonylContact O-C 3.4Å; G1352-Q1360 WeakPolarHBondContact O-CA 3.34Å; G1352-Q1361 PolarHBondContact O-N 2.97Å; G1352-F1362 PolarHBondContact N-O 3.31Å; G1352-F1362 PolarHBondContact O-N 3.07Å |
| 1353 | F | 84.6 | Confident | 81.1 | Confident | 20 Ų | 20 | 41 Ų | 41 | 9% | 0.088 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 147.9 | -176.6 | -70.6 | -91.7 | 0 | 0 | 0 | 111.4 | L1341 F1342 I1344 L1351 G1358 E1359 Q1360 | L1341-F1353 CarbonylContact C-O 3.56Å; L1341-F1353 WeakPolarHBondContact CA-O 2.86Å; F1342-F1353 HydrophobicContact CD1-CB 3.76Å; F1342-F1353 HydrophobicContact CD2-CB 4.14Å; F1342-F1353 HydrophobicContact CD2-CD2 4.38Å; F1342-F1353 HydrophobicContact CE1-CB 3.34Å; F1342-F1353 HydrophobicContact CE1-CG 4.2Å; F1342-F1353 HydrophobicContact CE2-CB 3.75Å; F1342-F1353 AromaticContact CE2-CD2 3.8Å; F1342-F1353 HydrophobicContact CE2-CD2 3.8Å; F1342-F1353 AromaticContact CE2-CG 3.9Å; F1342-F1353 HydrophobicContact CE2-CG 3.9Å; F1342-F1353 HydrophobicContact CG-CB 4.15Å; F1342-F1353 HydrophobicContact CZ-CB 3.34Å; F1342-F1353 HydrophobicContact CZ-CD1 4.29Å; F1342-F1353 HydrophobicContact CZ-CD2 4.08Å; F1342-F1353 AromaticContact CZ-CG 3.68Å; F1342-F1353 HydrophobicContact CZ-CG 3.68Å; F1342-F1353 PolarHBondContact N-O 2.99Å; F1342-F1353 PolarHBondContact O-N 3.12Å; I1344-F1353 HydrophobicContact CD1-CD2 4.42Å; I1344-F1353 HydrophobicContact CD1-CE2 3.71Å; I1344-F1353 HydrophobicContact CD1-CZ 4.41Å; I1344-F1353 HydrophobicContact CG1-CD2 4.2Å; I1344-F1353 HydrophobicContact CG1-CE2 3.73Å; L1351-F1353 HydrophobicContact CB-CD2 4.17Å; L1351-F1353 HydrophobicContact CB-CE2 3.5Å; L1351-F1353 HydrophobicContact CB-CZ 4.31Å; L1351-F1353 HydrophobicContact CD1-CE2 4.09Å; L1351-F1353 HydrophobicContact CD1-CZ 4.31Å; L1351-F1353 HydrophobicContact CG-CE2 4.45Å; F1353-G1358 WeakPolarHBondContact CD1-O 3.22Å; F1353-E1359 WeakPolarHBondContact CA-O 3.18Å; F1353-Q1360 HydrophobicContact CD1-CB 3.82Å; F1353-Q1360 HydrophobicContact CD1-CG 4.24Å; F1353-Q1360 HydrophobicContact CE1-CB 3.59Å; F1353-Q1360 HydrophobicContact CE1-CG 3.92Å; F1353-Q1360 HydrophobicContact CE2-CG 4.43Å; F1353-Q1360 HydrophobicContact CZ-CB 4.19Å; F1353-Q1360 HydrophobicContact CZ-CG 4.01Å |
| 1354 | H | 81 | Confident | 81 | Confident | 42 Ų | 42 | 43 Ų | 43 | 19% | 0.194 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 121.8 | 173.3 | 176.5 | -106.1 | 0 | 0 | 0 | 111 | D1340 K1356 S1357 G1358 E1359 Q1361 | D1340-H1354 PolarHBondContact O-CD2 2.64Å; H1354-K1356 VanDerWaalsContact C-N 3.29Å; H1354-K1356 PolarHBondContact O-N 2.81Å; H1354-K1356 VanDerWaalsContact O-N 3.13Å; H1354-S1357 PolarHBondContact ND1-N 2.64Å; H1354-S1357 PolarHBondContact ND1-OG 3.13Å; H1354-S1357 PolarHBondContact O-N 3.05Å; H1354-G1358 PolarHBondContact O-N 2.95Å; H1354-E1359 PolarHBondContact N-O 3.49Å; H1354-Q1361 HydrophobicContact CB-CG 4.21Å |
| 1355 | L | 79.2 | Confident | 81 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -34.8 | -162.4 | -171.3 | 65.5 | 0 | 0 | 0 | 114.2 | Y1216 I1289 H1299 L1312 D1340 F1342 | Y1216-L1355 HydrophobicContact CD1-CD2 4.42Å; Y1216-L1355 HydrophobicContact CD2-CD2 3.49Å; Y1216-L1355 VanDerWaalsContact CD2-CD2 3.49Å; Y1216-L1355 HydrophobicContact CE2-CD2 3.66Å; Y1216-L1355 HydrophobicContact CG-CD2 3.91Å; I1289-L1355 HydrophobicContact CD1-CD1 4.32Å; I1289-L1355 HydrophobicContact CG2-CD1 4.09Å; H1299-L1355 PolarHBondContact NE2-O 2.92Å; L1312-L1355 HydrophobicContact CD2-CD1 3.98Å; D1340-L1355 HydrophobicContact CB-CB 3.91Å; D1340-L1355 HydrophobicContact CB-CD2 3.98Å; D1340-L1355 WeakPolarHBondContact O-CB 3.34Å; D1340-L1355 PolarHBondContact O-N 2.83Å; F1342-L1355 HydrophobicContact CB-CD1 4.24Å; F1342-L1355 HydrophobicContact CD1-CB 4.39Å; F1342-L1355 HydrophobicContact CD1-CD1 3.67Å; F1342-L1355 HydrophobicContact CE1-CD1 4.43Å; F1342-L1355 HydrophobicContact CG-CD1 4.3Å |
| 1356 | K | 76.7 | Confident | 80.8 | Confident | 112 Ų | 112 | 47 Ų | 47 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -23.1 | -174.2 | -73.7 | 165.4 | 178.3 | 150.3 | 0 | 114.7 | Y1216 D1340 H1354 | Y1216-K1356 WeakPolarHBondContact OH-CE 3.35Å; D1340-K1356 IonicContact OD2-NZ 2.67Å; D1340-K1356 PolarHBondContact OD2-NZ 3.34Å; H1354-K1356 VanDerWaalsContact C-N 3.29Å; H1354-K1356 PolarHBondContact O-N 2.81Å; H1354-K1356 VanDerWaalsContact O-N 3.13Å |
| 1357 | S | 74.6 | Confident | 80.9 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -18.5 | 178.5 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | H1354 E1359 | H1354-S1357 PolarHBondContact ND1-N 2.64Å; H1354-S1357 PolarHBondContact ND1-OG 3.13Å; H1354-S1357 PolarHBondContact O-N 3.05Å; S1357-E1359 WeakPolarHBondContact CB-OE2 3.47Å; S1357-E1359 PolarHBondContact O-N 2.81Å; S1357-E1359 WeakPolarHBondContact OG-CG 3.32Å; S1357-E1359 PolarHBondContact OG-OE2 3.43Å |
| 1358 | G | 72 | Confident | 80.9 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 24% | 0.237 | 27% | 0.268 | C | S | . | . | trans | 73.4 | 4.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H1299 F1353 H1354 Q1360 | H1299-G1358 VanDerWaalsContact CE1-CA 3.41Å; H1299-G1358 WeakPolarHBondContact CE1-CA 3.35Å; H1299-G1358 PolarHBondContact CE1-N 3.17Å; F1353-G1358 WeakPolarHBondContact CD1-O 3.22Å; H1354-G1358 PolarHBondContact O-N 2.95Å; G1358-Q1360 PolarHBondContact O-N 3.28Å | ||
| 1359 | E | 76.8 | Confident | 80.7 | Confident | 121 Ų | 121 | 52.7 Ų | 52.7 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | trans | -72.7 | 127.2 | -180 | -68.1 | 166.3 | 122.6 | 0 | 0 | 111.2 | F1353 H1354 S1357 Q1361 | F1353-E1359 WeakPolarHBondContact CA-O 3.18Å; H1354-E1359 PolarHBondContact N-O 3.49Å; S1357-E1359 WeakPolarHBondContact CB-OE2 3.47Å; S1357-E1359 PolarHBondContact O-N 2.81Å; S1357-E1359 WeakPolarHBondContact OG-CG 3.32Å; S1357-E1359 PolarHBondContact OG-OE2 3.43Å; E1359-Q1361 PolarHBondContact O-N 3.26Å | ||
| 1360 | Q | 79.1 | Confident | 80.5 | Confident | 104 Ų | 104 | 49.3 Ų | 49.3 | 49% | 0.486 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 118 | 173.4 | -165.5 | -174.4 | -32.3 | 0 | 0 | 110.4 | G1352 F1353 G1358 F1362 | G1352-Q1360 CarbonylContact O-C 3.4Å; G1352-Q1360 WeakPolarHBondContact O-CA 3.34Å; F1353-Q1360 HydrophobicContact CD1-CB 3.82Å; F1353-Q1360 HydrophobicContact CD1-CG 4.24Å; F1353-Q1360 HydrophobicContact CE1-CB 3.59Å; F1353-Q1360 HydrophobicContact CE1-CG 3.92Å; F1353-Q1360 HydrophobicContact CE2-CG 4.43Å; F1353-Q1360 HydrophobicContact CZ-CB 4.19Å; F1353-Q1360 HydrophobicContact CZ-CG 4.01Å; G1358-Q1360 PolarHBondContact O-N 3.28Å; Q1360-F1362 WeakPolarHBondContact CG-O 3.11Å; Q1360-F1362 PolarHBondContact NE2-O 3.19Å; Q1360-F1362 VanDerWaalsContact NE2-O 3.14Å |
| 1361 | Q | 78.4 | Confident | 80.3 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 36% | 0.36 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -35.4 | 178 | -63.4 | -60.9 | -51.2 | 0 | 0 | 112.4 | L1341 G1352 H1354 E1359 | L1341-Q1361 HydrophobicContact CD2-CG 4.15Å; G1352-Q1361 PolarHBondContact O-N 2.97Å; H1354-Q1361 HydrophobicContact CB-CG 4.21Å; E1359-Q1361 PolarHBondContact O-N 3.26Å |
| 1362 | F | 82 | Confident | 80.1 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 12% | 0.118 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 165.9 | 177.2 | 62.1 | -104.4 | 0 | 0 | 0 | 113.4 | F1343 L1350 G1352 Q1360 V1364 G1401 I1403 | F1343-F1362 HydrophobicContact CD1-CE1 4.39Å; F1343-F1362 HydrophobicContact CD1-CE2 4.41Å; F1343-F1362 AromaticContact CD1-CZ 3.69Å; F1343-F1362 HydrophobicContact CD1-CZ 3.69Å; F1343-F1362 AromaticContact CE1-CE1 3.81Å; F1343-F1362 HydrophobicContact CE1-CE1 3.81Å; F1343-F1362 AromaticContact CE1-CZ 3.46Å; F1343-F1362 HydrophobicContact CE1-CZ 3.46Å; F1343-F1362 VanDerWaalsContact CE1-CZ 3.46Å; L1350-F1362 HydrophobicContact CD2-CE2 4.41Å; L1350-F1362 HydrophobicContact CG-CE2 4.47Å; G1352-F1362 PolarHBondContact N-O 3.31Å; G1352-F1362 PolarHBondContact O-N 3.07Å; Q1360-F1362 WeakPolarHBondContact CG-O 3.11Å; Q1360-F1362 PolarHBondContact NE2-O 3.19Å; Q1360-F1362 VanDerWaalsContact NE2-O 3.14Å; F1362-V1364 HydrophobicContact CD2-CG2 4.03Å; F1362-V1364 HydrophobicContact CE2-CG2 4.5Å; F1362-G1401 WeakPolarHBondContact CE1-O 3.17Å; F1362-I1403 HydrophobicContact CD1-CD1 4.3Å; F1362-I1403 HydrophobicContact CD2-CD1 3.97Å; F1362-I1403 HydrophobicContact CE1-CD1 4.03Å; F1362-I1403 HydrophobicContact CE1-CG1 4.22Å; F1362-I1403 HydrophobicContact CE2-CD1 3.7Å; F1362-I1403 HydrophobicContact CG-CD1 4.26Å; F1362-I1403 HydrophobicContact CZ-CD1 3.71Å; F1362-I1403 HydrophobicContact CZ-CG1 4.29Å |
| 1363 | S | 84.5 | Confident | 80.2 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 41% | 0.406 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.5 | 158.1 | 177 | 0 | 0 | 0 | 0 | 108.1 | H1349 L1350 L1351 | H1349-S1363 PolarHBondContact ND1-OG 3.06Å; L1350-S1363 WeakPolarHBondContact O-CA 3.25Å; L1351-S1363 WeakPolarHBondContact CD2-OG 3.48Å |
| 1364 | V | 84.1 | Confident | 80.2 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 26% | 0.261 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 121.9 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 109.2 | H1349 L1350 F1362 L1366 I1403 | H1349-V1364 CarbonylContact C-O 3.49Å; H1349-V1364 WeakPolarHBondContact CA-O 3.47Å; L1350-V1364 PolarHBondContact N-O 3.14Å; L1350-V1364 PolarHBondContact O-N 3.35Å; F1362-V1364 HydrophobicContact CD2-CG2 4.03Å; F1362-V1364 HydrophobicContact CE2-CG2 4.5Å; V1364-L1366 HydrophobicContact CG1-CD2 4.23Å; V1364-L1366 PolarHBondContact O-N 3.14Å; V1364-I1403 HydrophobicContact CG2-CD1 3.64Å |
| 1365 | D | 85.1 | Confident | 80.1 | Confident | 77 Ų | 77 | 58 Ų | 58 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 121.6 | 164.5 | 169.9 | 23.1 | 0 | 0 | 0 | 109.3 | Q1367 | D1365-Q1367 WeakPolarHBondContact OD1-CA 3.3Å; D1365-Q1367 WeakPolarHBondContact OD1-CG 3.35Å; D1365-Q1367 PolarHBondContact OD1-N 3.05Å; D1365-Q1367 WeakPolarHBondContact OD2-CG 3.05Å |
| 1366 | L | 80.7 | Confident | 80.1 | Confident | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 29% | 0.292 | C | S | . | . | trans | -92.2 | -16.7 | 175.6 | -59.3 | 178.8 | 0 | 0 | 0 | 113 | D1348 L1350 V1364 F1368 P1370 I1384 L1393 | D1348-L1366 WeakPolarHBondContact O-CB 3.32Å; D1348-L1366 PolarHBondContact O-N 2.97Å; L1350-L1366 HydrophobicContact CB-CD1 3.99Å; L1350-L1366 HydrophobicContact CB-CD2 4.28Å; L1350-L1366 HydrophobicContact CB-CG 4.1Å; V1364-L1366 HydrophobicContact CG1-CD2 4.23Å; V1364-L1366 PolarHBondContact O-N 3.14Å; L1366-F1368 HydrophobicContact CB-CD1 4.28Å; L1366-F1368 HydrophobicContact CB-CE1 4.16Å; L1366-F1368 HydrophobicContact CB-CE2 4.49Å; L1366-F1368 HydrophobicContact CB-CG 4.49Å; L1366-F1368 HydrophobicContact CB-CZ 4.27Å; L1366-F1368 HydrophobicContact CD1-CE2 4.41Å; L1366-F1368 WeakPolarHBondContact O-CD1 3.38Å; L1366-F1368 VanDerWaalsContact O-CE1 3.31Å; L1366-F1368 WeakPolarHBondContact O-CE1 3.39Å; L1366-F1368 PolarHBondContact O-N 2.85Å; L1366-F1368 VanDerWaalsContact O-N 3.17Å; L1366-P1370 HydrophobicContact CD1-CB 3.69Å; L1366-P1370 HydrophobicContact CD1-CG 3.76Å; L1366-I1384 HydrophobicContact CD1-CD1 4.5Å; L1366-I1384 HydrophobicContact CD1-CG2 4.39Å; L1366-I1384 HydrophobicContact CD2-CD1 4.24Å; L1366-L1393 HydrophobicContact CD2-CD2 3.61Å | ||
| 1367 | Q | 80.5 | Confident | 80 | Confident | 148 Ų | 148 | 57.7 Ų | 57.7 | 69% | 0.692 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 60.6 | 9.7 | -169.5 | -53.1 | 179.2 | -9 | 0 | 0 | 114.9 | D1365 | D1365-Q1367 WeakPolarHBondContact OD1-CA 3.3Å; D1365-Q1367 WeakPolarHBondContact OD1-CG 3.35Å; D1365-Q1367 PolarHBondContact OD1-N 3.05Å; D1365-Q1367 WeakPolarHBondContact OD2-CG 3.05Å |
| 1368 | F | 78.6 | Confident | 79.8 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 5% | 0.048 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -152 | 159.1 | 174.6 | 63.6 | -97.5 | 0 | 0 | 0 | 110.5 | L1366 P1370 I1384 D1386 L1393 | L1366-F1368 HydrophobicContact CB-CD1 4.28Å; L1366-F1368 HydrophobicContact CB-CE1 4.16Å; L1366-F1368 HydrophobicContact CB-CE2 4.49Å; L1366-F1368 HydrophobicContact CB-CG 4.49Å; L1366-F1368 HydrophobicContact CB-CZ 4.27Å; L1366-F1368 HydrophobicContact CD1-CE2 4.41Å; L1366-F1368 WeakPolarHBondContact O-CD1 3.38Å; L1366-F1368 VanDerWaalsContact O-CE1 3.31Å; L1366-F1368 WeakPolarHBondContact O-CE1 3.39Å; L1366-F1368 PolarHBondContact O-N 2.85Å; L1366-F1368 VanDerWaalsContact O-N 3.17Å; F1368-P1370 WeakPolarHBondContact O-CD 3.42Å; F1368-I1384 HydrophobicContact CE2-CG2 3.89Å; F1368-I1384 HydrophobicContact CZ-CG2 4.14Å; F1368-D1386 HydrophobicContact CD2-CB 4.15Å; F1368-D1386 HydrophobicContact CE2-CB 4.22Å; F1368-D1386 HydrophobicContact CG-CB 4.35Å; F1368-D1386 HydrophobicContact CZ-CB 4.5Å; F1368-L1393 HydrophobicContact CE1-CB 4.22Å; F1368-L1393 HydrophobicContact CE1-CD2 4.22Å; F1368-L1393 HydrophobicContact CZ-CB 3.88Å; F1368-L1393 HydrophobicContact CZ-CD2 4.1Å |
| 1369 | L | 77.9 | Confident | 79.8 | Confident | 80 Ų | 80 | 60.1 Ų | 60.1 | 42% | 0.419 | 30% | 0.299 | S | S | . | . | trans | -78 | 119 | 177.3 | -158.7 | 89.2 | 0 | 0 | 0 | 110.1 | A1347 R1371 | A1347-L1369 WeakPolarHBondContact O-CD1 3.16Å; L1369-R1371 PolarHBondContact O-N 3.48Å | ||
| 1370 | P | 80.6 | Confident | 79.8 | Confident | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | trans | -70.6 | 114.6 | -175.8 | 26.5 | -32.7 | 0 | 0 | 0 | 111.2 | N1345 L1366 F1368 I1384 | N1345-P1370 HydrophobicContact CB-CG 3.71Å; L1366-P1370 HydrophobicContact CD1-CB 3.69Å; L1366-P1370 HydrophobicContact CD1-CG 3.76Å; F1368-P1370 WeakPolarHBondContact O-CD 3.42Å; P1370-I1384 HydrophobicContact CB-CG2 3.69Å | ||
| 1371 | R | 80.9 | Confident | 80.1 | Confident | 135 Ų | 135 | 55.8 Ų | 55.8 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | trans | -87.1 | -30.7 | -174.6 | -174.1 | 170.3 | 172.5 | -116.3 | -13.9 | 114 | L1369 L1385 L1421 | L1369-R1371 PolarHBondContact O-N 3.48Å; R1371-L1385 PolarHBondContact N-O 3.33Å; R1371-L1421 PolarHBondContact NH1-O 3.45Å; R1371-L1421 PolarHBondContact NH2-O 2.92Å | ||
| 1372 | K | 82 | Confident | 80.4 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 25% | 0.248 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 141.9 | 178.1 | -168.4 | -178.6 | -172.2 | -176.3 | 0 | 108.6 | I1384 L1385 D1422 I1423 | K1372-I1384 WeakPolarHBondContact O-CA 3.37Å; K1372-L1385 HydrophobicContact CB-CB 4.07Å; K1372-L1385 HydrophobicContact CB-CD2 4.43Å; K1372-L1385 PolarHBondContact O-N 3.47Å; K1372-D1422 VanDerWaalsContact CD-OD1 3.24Å; K1372-D1422 WeakPolarHBondContact CD-OD1 3.43Å; K1372-D1422 WeakPolarHBondContact CE-OD1 3.28Å; K1372-D1422 VanDerWaalsContact NZ-CG 3.32Å; K1372-D1422 IonicContact NZ-OD1 3.29Å; K1372-D1422 PolarHBondContact NZ-OD1 3.24Å; K1372-D1422 IonicContact NZ-OD2 2.63Å; K1372-D1422 PolarHBondContact NZ-OD2 3.38Å; K1372-I1423 HydrophobicContact CD-CG1 4.32Å; K1372-I1423 PolarHBondContact NZ-O 3.07Å |
| 1373 | I | 85.6 | Confident | 80.7 | Confident | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121 | 170.8 | -54.8 | -176.1 | 0 | 0 | 0 | 107.9 | L1309 L1350 L1382 F1383 I1384 | L1309-I1373 HydrophobicContact CD1-CG1 4.3Å; L1309-I1373 HydrophobicContact CD2-CD1 3.7Å; L1309-I1373 HydrophobicContact CD2-CG1 4.17Å; L1350-I1373 HydrophobicContact CD1-CD1 3.71Å; L1350-I1373 HydrophobicContact CD2-CD1 4.46Å; I1373-L1382 HydrophobicContact CG2-CB 4.36Å; I1373-L1382 HydrophobicContact CG2-CD1 4.31Å; I1373-L1382 HydrophobicContact CG2-CD2 4.17Å; I1373-F1383 WeakPolarHBondContact CA-O 3.4Å; I1373-I1384 HydrophobicContact CG1-CG1 4.21Å; I1373-I1384 HydrophobicContact CG1-CG2 4.34Å; I1373-I1384 HydrophobicContact CG2-CG1 4.37Å |
| 1374 | L | 83.4 | Confident | 80.8 | Confident | 36 Ų | 36 | 48.2 Ų | 48.2 | 19% | 0.188 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 157.1 | 166.7 | -67.6 | -178 | 0 | 0 | 0 | 110.1 | L1382 F1383 I1423 | L1374-L1382 CarbonylContact O-C 3.6Å; L1374-L1382 VanDerWaalsContact O-CA 3.28Å; L1374-L1382 WeakPolarHBondContact O-CA 3.29Å; L1374-F1383 HydrophobicContact CB-CB 4.35Å; L1374-F1383 PolarHBondContact N-O 3.3Å; L1374-F1383 PolarHBondContact O-N 2.92Å; L1374-I1423 HydrophobicContact CD1-CB 4.48Å; L1374-I1423 HydrophobicContact CD1-CD1 4.13Å; L1374-I1423 HydrophobicContact CD1-CG1 3.91Å; L1374-I1423 HydrophobicContact CG-CD1 4.49Å; L1374-I1423 HydrophobicContact CG-CG1 4.48Å |
| 1375 | V | 78.6 | Confident | 80.9 | Confident | 32 Ų | 32 | 46.3 Ų | 46.3 | 19% | 0.194 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142 | 170.7 | -163.4 | 0 | 0 | 0 | 0 | 107.9 | V1313 N1379 R1381 L1382 | V1313-V1375 HydrophobicContact CG2-CG2 3.8Å; V1375-N1379 HydrophobicContact CG1-CB 4.48Å; V1375-N1379 WeakPolarHBondContact CG1-OD1 3.45Å; V1375-R1381 CarbonylContact C-O 3.51Å; V1375-R1381 WeakPolarHBondContact CA-O 3.38Å; V1375-L1382 HydrophobicContact CB-CD2 4.29Å; V1375-L1382 HydrophobicContact CG1-CD2 4.13Å; V1375-L1382 HydrophobicContact CG2-CD2 3.78Å |
| 1376 | S | 80.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | trans | -69.9 | 157.7 | 170.1 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | D1378 N1379 R1381 | S1376-D1378 VanDerWaalsContact CB-OD1 3.31Å; S1376-D1378 WeakPolarHBondContact CB-OD1 3.23Å; S1376-D1378 PolarHBondContact O-N 3.27Å; S1376-D1378 PolarHBondContact OG-OD1 3.29Å; S1376-N1379 PolarHBondContact O-N 3.42Å; S1376-R1381 PolarHBondContact N-O 3.4Å; S1376-R1381 WeakPolarHBondContact OG-CA 3.46Å; S1376-R1381 WeakPolarHBondContact OG-CB 3.35Å; S1376-R1381 PolarHBondContact OG-N 3.25Å; S1376-R1381 PolarHBondContact OG-O 3.36Å | ||
| 1377 | N | 73.7 | Confident | 80.3 | Confident | 105 Ų | 105 | 44.6 Ų | 44.6 | 56% | 0.561 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17 | -179 | -62.7 | -27 | 0 | 0 | 0 | 114.1 | L1425 S1426 K1427 | N1377-L1425 HydrophobicContact CB-CD2 4.49Å; N1377-L1425 WeakPolarHBondContact OD1-CD2 3.3Å; N1377-S1426 PolarHBondContact ND2-O 2.96Å; N1377-K1427 PolarHBondContact ND2-O 3.34Å |
| 1378 | D | 70.7 | Confident | 79.9 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 35% | 0.348 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 1.9 | 175.2 | 71.2 | -10.2 | 0 | 0 | 0 | 114.3 | S1376 Q1380 R1381 | S1376-D1378 VanDerWaalsContact CB-OD1 3.31Å; S1376-D1378 WeakPolarHBondContact CB-OD1 3.23Å; S1376-D1378 PolarHBondContact O-N 3.27Å; S1376-D1378 PolarHBondContact OG-OD1 3.29Å; D1378-Q1380 PolarHBondContact O-N 3.31Å; D1378-Q1380 VanDerWaalsContact O-N 3.16Å; D1378-Q1380 PolarHBondContact OD1-N 3.23Å; D1378-R1381 IonicContact OD1-NH1 2.75Å; D1378-R1381 IonicContact OD2-NH1 3.61Å; D1378-R1381 PolarHBondContact OD2-NH1 3.06Å |
| 1379 | N | 71.1 | Confident | 79.6 | Confident | 62 Ų | 62 | 46.9 Ų | 46.9 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 57.7 | 13.8 | -173.7 | -71.3 | -43.5 | 0 | 0 | 0 | 116.1 | S1316 V1375 S1376 | S1316-N1379 PolarHBondContact OG-ND2 3.2Å; V1375-N1379 HydrophobicContact CG1-CB 4.48Å; V1375-N1379 WeakPolarHBondContact CG1-OD1 3.45Å; S1376-N1379 PolarHBondContact O-N 3.42Å |
| 1380 | Q | 77.5 | Confident | 79.5 | Confident | 98 Ų | 98 | 43.7 Ų | 43.7 | 46% | 0.458 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -101.5 | -17.3 | -177 | -69.5 | 176.5 | 59.3 | 0 | 0 | 114.7 | D1378 L1396 I1397 | D1378-Q1380 PolarHBondContact O-N 3.31Å; D1378-Q1380 VanDerWaalsContact O-N 3.16Å; D1378-Q1380 PolarHBondContact OD1-N 3.23Å; Q1380-L1396 CarbonylContact O-C 3.56Å; Q1380-L1396 VanDerWaalsContact O-CA 3.3Å; Q1380-L1396 WeakPolarHBondContact O-CA 3.2Å; Q1380-I1397 PolarHBondContact O-N 3.5Å |
| 1381 | R | 84.4 | Confident | 79.4 | Confident | 36 Ų | 36 | 44 Ų | 44 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.7 | 180 | -52.6 | 168.6 | 178 | 83.9 | -24.1 | 110.1 | V1375 S1376 D1378 F1383 Q1394 L1395 E1446 | V1375-R1381 CarbonylContact C-O 3.51Å; V1375-R1381 WeakPolarHBondContact CA-O 3.38Å; S1376-R1381 PolarHBondContact N-O 3.4Å; S1376-R1381 WeakPolarHBondContact OG-CA 3.46Å; S1376-R1381 WeakPolarHBondContact OG-CB 3.35Å; S1376-R1381 PolarHBondContact OG-N 3.25Å; S1376-R1381 PolarHBondContact OG-O 3.36Å; D1378-R1381 IonicContact OD1-NH1 2.75Å; D1378-R1381 IonicContact OD2-NH1 3.61Å; D1378-R1381 PolarHBondContact OD2-NH1 3.06Å; R1381-F1383 HydrophobicContact CB-CE2 4.21Å; R1381-F1383 HydrophobicContact CB-CZ 4.3Å; R1381-Q1394 HydrophobicContact CB-CG 4.42Å; R1381-L1395 CarbonylContact C-O 3.59Å; R1381-L1395 WeakPolarHBondContact CA-O 2.87Å; R1381-E1446 IonicContact CZ-OE1 3.96Å; R1381-E1446 IonicContact NH2-OE1 3.42Å; R1381-E1446 PolarHBondContact NH2-OE1 3.25Å |
| 1382 | L | 85.9 | Confident | 79.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134 | 162.6 | -59.8 | -175.8 | 0 | 0 | 0 | 109.3 | F1343 I1373 L1374 V1375 Q1394 L1395 I1397 | F1343-L1382 HydrophobicContact CD2-CD1 4.46Å; F1343-L1382 HydrophobicContact CE2-CD1 4.05Å; F1343-L1382 HydrophobicContact CE2-CD2 4.36Å; F1343-L1382 HydrophobicContact CZ-CD1 4.15Å; I1373-L1382 HydrophobicContact CG2-CB 4.36Å; I1373-L1382 HydrophobicContact CG2-CD1 4.31Å; I1373-L1382 HydrophobicContact CG2-CD2 4.17Å; L1374-L1382 CarbonylContact O-C 3.6Å; L1374-L1382 VanDerWaalsContact O-CA 3.28Å; L1374-L1382 WeakPolarHBondContact O-CA 3.29Å; V1375-L1382 HydrophobicContact CB-CD2 4.29Å; V1375-L1382 HydrophobicContact CG1-CD2 4.13Å; V1375-L1382 HydrophobicContact CG2-CD2 3.78Å; L1382-Q1394 CarbonylContact O-C 3.54Å; L1382-Q1394 VanDerWaalsContact O-CA 3.27Å; L1382-Q1394 WeakPolarHBondContact O-CA 3.34Å; L1382-L1395 HydrophobicContact CB-CB 4.28Å; L1382-L1395 PolarHBondContact N-O 3.25Å; L1382-L1395 PolarHBondContact O-N 3.01Å; L1382-I1397 HydrophobicContact CD1-CD1 3.58Å; L1382-I1397 HydrophobicContact CD2-CD1 4.44Å; L1382-I1397 HydrophobicContact CG-CD1 3.76Å |
| 1383 | F | 87.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 117.2 | 168.2 | -58.6 | -84.9 | 0 | 0 | 0 | 109.2 | I1373 L1374 R1381 V1392 Q1394 I1423 L1425 L1432 Y1445 | I1373-F1383 WeakPolarHBondContact CA-O 3.4Å; L1374-F1383 HydrophobicContact CB-CB 4.35Å; L1374-F1383 PolarHBondContact N-O 3.3Å; L1374-F1383 PolarHBondContact O-N 2.92Å; R1381-F1383 HydrophobicContact CB-CE2 4.21Å; R1381-F1383 HydrophobicContact CB-CZ 4.3Å; F1383-V1392 HydrophobicContact CB-CG1 4.03Å; F1383-V1392 HydrophobicContact CD1-CG1 4.18Å; F1383-Q1394 HydrophobicContact CD1-CB 4.23Å; F1383-Q1394 HydrophobicContact CD1-CG 4.2Å; F1383-Q1394 HydrophobicContact CE1-CB 4.32Å; F1383-Q1394 HydrophobicContact CE1-CG 3.93Å; F1383-I1423 HydrophobicContact CB-CD1 4.18Å; F1383-L1425 HydrophobicContact CD2-CD1 4.04Å; F1383-L1425 HydrophobicContact CE2-CD1 3.65Å; F1383-L1432 HydrophobicContact CD1-CD2 4.34Å; F1383-Y1445 HydrophobicContact CE1-CG 4.36Å; F1383-Y1445 HydrophobicContact CE2-CD1 4.4Å; F1383-Y1445 AromaticContact CZ-CD1 3.81Å; F1383-Y1445 HydrophobicContact CZ-CD1 3.81Å; F1383-Y1445 HydrophobicContact CZ-CD2 4.05Å; F1383-Y1445 HydrophobicContact CZ-CE1 4.34Å; F1383-Y1445 AromaticContact CZ-CG 3.66Å; F1383-Y1445 HydrophobicContact CZ-CG 3.66Å |
| 1384 | I | 86.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.4 | -177 | -51 | -176.2 | 0 | 0 | 0 | 109.1 | L1350 L1366 F1368 P1370 K1372 I1373 L1393 L1395 | L1350-I1384 HydrophobicContact CD2-CD1 3.76Å; L1366-I1384 HydrophobicContact CD1-CD1 4.5Å; L1366-I1384 HydrophobicContact CD1-CG2 4.39Å; L1366-I1384 HydrophobicContact CD2-CD1 4.24Å; F1368-I1384 HydrophobicContact CE2-CG2 3.89Å; F1368-I1384 HydrophobicContact CZ-CG2 4.14Å; P1370-I1384 HydrophobicContact CB-CG2 3.69Å; K1372-I1384 WeakPolarHBondContact O-CA 3.37Å; I1373-I1384 HydrophobicContact CG1-CG1 4.21Å; I1373-I1384 HydrophobicContact CG1-CG2 4.34Å; I1373-I1384 HydrophobicContact CG2-CG1 4.37Å; I1384-L1393 HydrophobicContact CB-CB 4.33Å; I1384-L1393 PolarHBondContact N-O 3.18Å; I1384-L1393 PolarHBondContact O-N 3.19Å; I1384-L1395 HydrophobicContact CD1-CD1 3.67Å; I1384-L1395 HydrophobicContact CD1-CG 4.19Å |
| 1385 | L | 85.4 | Confident | 80 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.5 | 179.2 | -178 | 60.9 | 0 | 0 | 0 | 111.5 | R1371 K1372 I1420 I1423 | R1371-L1385 PolarHBondContact N-O 3.33Å; K1372-L1385 HydrophobicContact CB-CB 4.07Å; K1372-L1385 HydrophobicContact CB-CD2 4.43Å; K1372-L1385 PolarHBondContact O-N 3.47Å; L1385-I1420 HydrophobicContact CD1-CB 4.08Å; L1385-I1420 HydrophobicContact CD1-CG2 3.66Å; L1385-I1423 HydrophobicContact CB-CD1 4.24Å; L1385-I1423 HydrophobicContact CD1-CG2 4.47Å |
| 1386 | D | 82 | Confident | 80.2 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | trans | -68.7 | 140.5 | 171 | -170.3 | -37.7 | 0 | 0 | 0 | 110.7 | F1368 N1388 H1389 C1391 R1408 | F1368-D1386 HydrophobicContact CD2-CB 4.15Å; F1368-D1386 HydrophobicContact CE2-CB 4.22Å; F1368-D1386 HydrophobicContact CG-CB 4.35Å; F1368-D1386 HydrophobicContact CZ-CB 4.5Å; D1386-N1388 PolarHBondContact OD1-N 3.08Å; D1386-H1389 IonicContact OD1-CD2 2.68Å; D1386-H1389 PolarHBondContact OD1-N 3.01Å; D1386-H1389 WeakPolarHBondContact OD2-CB 3.31Å; D1386-H1389 IonicContact OD2-CD2 3.67Å; D1386-H1389 PolarHBondContact OD2-CD2 3.09Å; D1386-H1389 IonicContact OD2-CG 2.77Å; D1386-C1391 HydrophobicContact CB-CB 4.18Å; D1386-C1391 WeakPolarHBondContact CB-O 3.39Å; D1386-C1391 PolarHBondContact N-O 2.82Å; D1386-R1408 IonicContact OD2-CZ 2.92Å; D1386-R1408 IonicContact OD2-NE 3.18Å; D1386-R1408 IonicContact OD2-NH2 3.09Å; D1386-R1408 PolarHBondContact OD2-NH2 3.25Å | ||
| 1387 | S | 71.2 | Confident | 80.1 | Confident | 46 Ų | 46 | 35.5 Ų | 35.5 | 32% | 0.322 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -81.3 | -23.8 | 178.7 | 64.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1388 | N | 73.1 | Confident | 80.1 | Confident | 108 Ų | 108 | 32.2 Ų | 32.2 | 58% | 0.578 | 17% | 0.167 | S | C | * | . | S | Bend | trans | -117.1 | -36 | -162.3 | -63.1 | -9.5 | 0 | 0 | 0 | 112.7 | D1386 | D1386-N1388 PolarHBondContact OD1-N 3.08Š|
| 1389 | H | 72.1 | Confident | 80 | Confident | 99 Ų | 99 | 38.2 Ų | 38.2 | 46% | 0.458 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -112.4 | 156 | -177.1 | -55 | -86.8 | 0 | 0 | 0 | 112 | D1386 C1391 | D1386-H1389 IonicContact OD1-CD2 2.68Å; D1386-H1389 PolarHBondContact OD1-N 3.01Å; D1386-H1389 WeakPolarHBondContact OD2-CB 3.31Å; D1386-H1389 IonicContact OD2-CD2 3.67Å; D1386-H1389 PolarHBondContact OD2-CD2 3.09Å; D1386-H1389 IonicContact OD2-CG 2.77Å; H1389-C1391 HydrophobicContact CB-CB 4.31Å; H1389-C1391 PolarHBondContact O-N 3.1Å |
| 1390 | P | 74.7 | Confident | 79.6 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -76.8 | 58.4 | 173 | 34.6 | -35.7 | 0 | 0 | 0 | 110.9 | Y1411 D1412 I1420 | P1390-Y1411 PolarHBondContact O-N 3.13Å; P1390-D1412 WeakPolarHBondContact CG-OD1 3.5Å; P1390-I1420 HydrophobicContact CB-CD1 4.34Å; P1390-I1420 HydrophobicContact CB-CG1 4.24Å |
| 1391 | C | 79.7 | Confident | 79 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.9 | -175.5 | -73.8 | 0 | 0 | 0 | 0 | 111.5 | D1386 H1389 R1408 I1409 | D1386-C1391 HydrophobicContact CB-CB 4.18Å; D1386-C1391 WeakPolarHBondContact CB-O 3.39Å; D1386-C1391 PolarHBondContact N-O 2.82Å; H1389-C1391 HydrophobicContact CB-CB 4.31Å; H1389-C1391 PolarHBondContact O-N 3.1Å; C1391-R1408 HydrophobicContact CB-CG 4.1Å; C1391-I1409 CarbonylContact C-O 3.51Å; C1391-I1409 VanDerWaalsContact CA-O 3.26Å; C1391-I1409 WeakPolarHBondContact CA-O 3.35Å |
| 1392 | V | 84.4 | Confident | 78.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.7 | 167 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | F1383 I1409 Y1411 I1420 I1423 | F1383-V1392 HydrophobicContact CB-CG1 4.03Å; F1383-V1392 HydrophobicContact CD1-CG1 4.18Å; V1392-I1409 PolarHBondContact N-O 3.43Å; V1392-I1409 PolarHBondContact O-N 2.97Å; V1392-Y1411 HydrophobicContact CB-CE2 4.43Å; V1392-Y1411 HydrophobicContact CG2-CE2 4.11Å; V1392-I1420 HydrophobicContact CG2-CD1 4.3Å; V1392-I1423 HydrophobicContact CG1-CD1 4.3Å; V1392-I1423 HydrophobicContact CG2-CG2 4.14Å |
| 1393 | L | 86 | Confident | 77.8 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 12% | 0.115 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119.4 | 174.8 | -173.1 | 80.2 | 0 | 0 | 0 | 109.5 | L1366 F1368 I1384 L1395 F1407 R1408 | L1366-L1393 HydrophobicContact CD2-CD2 3.61Å; F1368-L1393 HydrophobicContact CE1-CB 4.22Å; F1368-L1393 HydrophobicContact CE1-CD2 4.22Å; F1368-L1393 HydrophobicContact CZ-CB 3.88Å; F1368-L1393 HydrophobicContact CZ-CD2 4.1Å; I1384-L1393 HydrophobicContact CB-CB 4.33Å; I1384-L1393 PolarHBondContact N-O 3.18Å; I1384-L1393 PolarHBondContact O-N 3.19Å; L1393-L1395 HydrophobicContact CD2-CD2 3.89Å; L1393-L1395 HydrophobicContact CD2-CG 4.34Å; L1393-L1395 HydrophobicContact CG-CD2 4.17Å; L1393-F1407 CarbonylContact C-O 3.58Å; L1393-F1407 WeakPolarHBondContact CA-O 3.06Å; L1393-F1407 WeakPolarHBondContact CD1-O 3.08Å; L1393-R1408 HydrophobicContact CD1-CB 3.93Å; L1393-R1408 HydrophobicContact CD1-CG 4.43Å |
| 1394 | Q | 87.2 | Confident | 77.4 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 114.4 | 175.4 | -177.4 | 177.8 | -32.7 | 0 | 0 | 110 | R1381 L1382 F1383 S1406 F1407 | R1381-Q1394 HydrophobicContact CB-CG 4.42Å; L1382-Q1394 CarbonylContact O-C 3.54Å; L1382-Q1394 VanDerWaalsContact O-CA 3.27Å; L1382-Q1394 WeakPolarHBondContact O-CA 3.34Å; F1383-Q1394 HydrophobicContact CD1-CB 4.23Å; F1383-Q1394 HydrophobicContact CD1-CG 4.2Å; F1383-Q1394 HydrophobicContact CE1-CB 4.32Å; F1383-Q1394 HydrophobicContact CE1-CG 3.93Å; Q1394-S1406 CarbonylContact O-C 3.58Å; Q1394-S1406 WeakPolarHBondContact O-CA 3.33Å; Q1394-F1407 PolarHBondContact N-O 3.4Å; Q1394-F1407 PolarHBondContact O-N 3.02Å |
| 1395 | L | 85.7 | Confident | 77.1 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.2 | 171.1 | -55.7 | -179.2 | 0 | 0 | 0 | 109.3 | L1350 R1381 L1382 I1384 L1393 I1403 S1406 | L1350-L1395 HydrophobicContact CD2-CD1 4.16Å; R1381-L1395 CarbonylContact C-O 3.59Å; R1381-L1395 WeakPolarHBondContact CA-O 2.87Å; L1382-L1395 HydrophobicContact CB-CB 4.28Å; L1382-L1395 PolarHBondContact N-O 3.25Å; L1382-L1395 PolarHBondContact O-N 3.01Å; I1384-L1395 HydrophobicContact CD1-CD1 3.67Å; I1384-L1395 HydrophobicContact CD1-CG 4.19Å; L1393-L1395 HydrophobicContact CD2-CD2 3.89Å; L1393-L1395 HydrophobicContact CD2-CG 4.34Å; L1393-L1395 HydrophobicContact CG-CD2 4.17Å; L1395-I1403 HydrophobicContact CD1-CD1 4.06Å; L1395-S1406 VanDerWaalsContact CD2-CB 3.49Å |
| 1396 | L | 84.1 | Confident | 76.9 | Confident | 40 Ų | 40 | 55.2 Ų | 55.2 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.3 | 176.6 | -164.4 | 146.5 | 0 | 0 | 0 | 109.7 | Q1380 I1403 N1404 K1405 | Q1380-L1396 CarbonylContact O-C 3.56Å; Q1380-L1396 VanDerWaalsContact O-CA 3.3Å; Q1380-L1396 WeakPolarHBondContact O-CA 3.2Å; L1396-I1403 CarbonylContact O-C 3.5Å; L1396-N1404 HydrophobicContact CD2-CB 3.84Å; L1396-N1404 PolarHBondContact O-N 3.16Å; L1396-K1405 HydrophobicContact CB-CB 4.31Å; L1396-K1405 PolarHBondContact N-O 3.3Å |
| 1397 | I | 79.2 | Confident | 77 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 140 | -176.1 | -67.7 | -179 | 0 | 0 | 0 | 110.1 | F1343 Q1380 L1382 Q1402 I1403 | F1343-I1397 HydrophobicContact CE1-CD1 4.36Å; F1343-I1397 HydrophobicContact CZ-CD1 3.89Å; Q1380-I1397 PolarHBondContact O-N 3.5Å; L1382-I1397 HydrophobicContact CD1-CD1 3.58Å; L1382-I1397 HydrophobicContact CD2-CD1 4.44Å; L1382-I1397 HydrophobicContact CG-CD1 3.76Å; I1397-Q1402 WeakPolarHBondContact CA-O 3.34Å; I1397-I1403 HydrophobicContact CG1-CG1 4.1Å |
| 1398 | N | 73.8 | Confident | 77.5 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 19% | 0.193 | 31% | 0.308 | C | S | . | . | trans | -91.4 | 170 | 174.6 | 73.7 | 26.6 | 0 | 0 | 0 | 112.5 | L1400 G1401 Q1402 N1404 | N1398-L1400 PolarHBondContact O-N 2.84Å; N1398-L1400 WeakPolarHBondContact OD1-CA 3.32Å; N1398-L1400 WeakPolarHBondContact OD1-CB 3.29Å; N1398-L1400 PolarHBondContact OD1-N 3.33Å; N1398-G1401 PolarHBondContact O-N 3.23Å; N1398-G1401 PolarHBondContact OD1-N 3.49Å; N1398-Q1402 PolarHBondContact N-O 2.89Å; N1398-Q1402 PolarHBondContact ND2-OE1 3.47Å; N1398-Q1402 PolarHBondContact OD1-N 2.98Å; N1398-N1404 PolarHBondContact ND2-OD1 2.95Å; N1398-N1404 VanDerWaalsContact ND2-OD1 3.14Å | ||
| 1399 | K | 67.1 | Low | 77.9 | Confident | 191 Ų | 191 | 59.2 Ų | 59.2 | 83% | 0.83 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -13 | -179.1 | -68.8 | -169.2 | 175.8 | -171.5 | 0 | 115.1 | ||
| 1400 | L | 62.6 | Low | 78.4 | Confident | 102 Ų | 102 | 57.3 Ų | 57.3 | 53% | 0.534 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -3.3 | 176.8 | -57 | 174 | 0 | 0 | 0 | 113 | N1398 Q1402 | N1398-L1400 PolarHBondContact O-N 2.84Å; N1398-L1400 WeakPolarHBondContact OD1-CA 3.32Å; N1398-L1400 WeakPolarHBondContact OD1-CB 3.29Å; N1398-L1400 PolarHBondContact OD1-N 3.33Å; L1400-Q1402 HydrophobicContact CB-CG 4.43Å |
| 1401 | G | 65.2 | Low | 78.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 87.1 | 5.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | F1362 N1398 | F1362-G1401 WeakPolarHBondContact CE1-O 3.17Å; N1398-G1401 PolarHBondContact O-N 3.23Å; N1398-G1401 PolarHBondContact OD1-N 3.49Å |
| 1402 | Q | 71.4 | Confident | 78.3 | Confident | 104 Ų | 104 | 60 Ų | 60 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | trans | -89.3 | 148.4 | 177.7 | -54.4 | 166.8 | -26.2 | 0 | 0 | 110.7 | I1397 N1398 L1400 | I1397-Q1402 WeakPolarHBondContact CA-O 3.34Å; N1398-Q1402 PolarHBondContact N-O 2.89Å; N1398-Q1402 PolarHBondContact ND2-OE1 3.47Å; N1398-Q1402 PolarHBondContact OD1-N 2.98Å; L1400-Q1402 HydrophobicContact CB-CG 4.43Å | ||
| 1403 | I | 75.1 | Confident | 77.9 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 118.4 | 178.9 | -65.1 | 162 | 0 | 0 | 0 | 109.8 | F1362 V1364 L1395 L1396 I1397 | F1362-I1403 HydrophobicContact CD1-CD1 4.3Å; F1362-I1403 HydrophobicContact CD2-CD1 3.97Å; F1362-I1403 HydrophobicContact CE1-CD1 4.03Å; F1362-I1403 HydrophobicContact CE1-CG1 4.22Å; F1362-I1403 HydrophobicContact CE2-CD1 3.7Å; F1362-I1403 HydrophobicContact CG-CD1 4.26Å; F1362-I1403 HydrophobicContact CZ-CD1 3.71Å; F1362-I1403 HydrophobicContact CZ-CG1 4.29Å; V1364-I1403 HydrophobicContact CG2-CD1 3.64Å; L1395-I1403 HydrophobicContact CD1-CD1 4.06Å; L1396-I1403 CarbonylContact O-C 3.5Å; I1397-I1403 HydrophobicContact CG1-CG1 4.1Å |
| 1404 | N | 78.3 | Confident | 77.4 | Confident | 97 Ų | 97 | 70.5 Ų | 70.5 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -40.2 | 176.7 | -81 | -8.3 | 0 | 0 | 0 | 112.8 | L1396 N1398 | L1396-N1404 HydrophobicContact CD2-CB 3.84Å; L1396-N1404 PolarHBondContact O-N 3.16Å; N1398-N1404 PolarHBondContact ND2-OD1 2.95Å; N1398-N1404 VanDerWaalsContact ND2-OD1 3.14Å |
| 1405 | K | 80.5 | Confident | 76.9 | Confident | 127 Ų | 127 | 69.8 Ų | 69.8 | 55% | 0.552 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 157.6 | -175.1 | -64.6 | -168.9 | -177.6 | -180 | 0 | 111.6 | L1396 F1407 | L1396-K1405 HydrophobicContact CB-CB 4.31Å; L1396-K1405 PolarHBondContact N-O 3.3Å; K1405-F1407 HydrophobicContact CB-CE2 3.79Å; K1405-F1407 HydrophobicContact CB-CZ 4.12Å; K1405-F1407 HydrophobicContact CD-CE2 4.01Å; K1405-F1407 HydrophobicContact CD-CZ 3.62Å; K1405-F1407 HydrophobicContact CG-CZ 4.49Å |
| 1406 | S | 82.5 | Confident | 76.1 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 55% | 0.552 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 132 | 174.1 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | Q1394 L1395 | Q1394-S1406 CarbonylContact O-C 3.58Å; Q1394-S1406 WeakPolarHBondContact O-CA 3.33Å; L1395-S1406 VanDerWaalsContact CD2-CB 3.49Å |
| 1407 | F | 82.1 | Confident | 75.5 | Confident | 99 Ų | 99 | 81.9 Ų | 81.9 | 43% | 0.434 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.1 | 178.4 | -54.5 | -85.9 | 0 | 0 | 0 | 110 | L1393 Q1394 K1405 | L1393-F1407 CarbonylContact C-O 3.58Å; L1393-F1407 WeakPolarHBondContact CA-O 3.06Å; L1393-F1407 WeakPolarHBondContact CD1-O 3.08Å; Q1394-F1407 PolarHBondContact N-O 3.4Å; Q1394-F1407 PolarHBondContact O-N 3.02Å; K1405-F1407 HydrophobicContact CB-CE2 3.79Å; K1405-F1407 HydrophobicContact CB-CZ 4.12Å; K1405-F1407 HydrophobicContact CD-CE2 4.01Å; K1405-F1407 HydrophobicContact CD-CZ 3.62Å; K1405-F1407 HydrophobicContact CG-CZ 4.49Å |
| 1408 | R | 82.1 | Confident | 75.4 | Confident | 117 Ų | 117 | 81.4 Ų | 81.4 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 111.7 | 173 | -169 | -179.9 | -169.9 | 167 | 3.3 | 108.7 | D1386 C1391 L1393 | D1386-R1408 IonicContact OD2-CZ 2.92Å; D1386-R1408 IonicContact OD2-NE 3.18Å; D1386-R1408 IonicContact OD2-NH2 3.09Å; D1386-R1408 PolarHBondContact OD2-NH2 3.25Å; C1391-R1408 HydrophobicContact CB-CG 4.1Å; L1393-R1408 HydrophobicContact CD1-CB 3.93Å; L1393-R1408 HydrophobicContact CD1-CG 4.43Å |
| 1409 | I | 83.1 | Confident | 75.6 | Confident | 25 Ų | 25 | 83 Ų | 83 | 13% | 0.128 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 117.5 | 179.5 | -47.5 | 166.9 | 0 | 0 | 0 | 107 | C1391 V1392 Y1411 Y1443 | C1391-I1409 CarbonylContact C-O 3.51Å; C1391-I1409 VanDerWaalsContact CA-O 3.26Å; C1391-I1409 WeakPolarHBondContact CA-O 3.35Å; V1392-I1409 PolarHBondContact N-O 3.43Å; V1392-I1409 PolarHBondContact O-N 2.97Å; I1409-Y1411 HydrophobicContact CB-CE2 4.21Å; I1409-Y1411 HydrophobicContact CG2-CE1 3.99Å; I1409-Y1411 HydrophobicContact CG2-CE2 3.85Å; I1409-Y1411 VanDerWaalsContact CG2-CZ 3.49Å; I1409-Y1411 WeakPolarHBondContact CG2-OH 3.34Å; I1409-Y1443 HydrophobicContact CD1-CE1 3.88Å |
| 1410 | S | 81.5 | Confident | 76.4 | Confident | 59 Ų | 59 | 74.4 Ų | 74.4 | 41% | 0.413 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 144.7 | 169.5 | 179 | 0 | 0 | 0 | 0 | 110.2 | D1412 | S1410-D1412 PolarHBondContact OG-N 3.2Å; S1410-D1412 VanDerWaalsContact OG-N 3.12Å; S1410-D1412 PolarHBondContact OG-OD2 3.22Å |
| 1411 | Y | 79.5 | Confident | 77.4 | Confident | 9 Ų | 9 | 72.1 Ų | 72.1 | 4% | 0.035 | 37% | 0.367 | C | S | . | . | trans | -112.1 | 15.6 | 174.7 | -56.2 | -87.1 | 0 | 0 | 0 | 112.1 | P1390 V1392 I1409 D1413 L1414 I1415 I1420 I1434 L1441 Y1443 | P1390-Y1411 PolarHBondContact O-N 3.13Å; V1392-Y1411 HydrophobicContact CB-CE2 4.43Å; V1392-Y1411 HydrophobicContact CG2-CE2 4.11Å; I1409-Y1411 HydrophobicContact CB-CE2 4.21Å; I1409-Y1411 HydrophobicContact CG2-CE1 3.99Å; I1409-Y1411 HydrophobicContact CG2-CE2 3.85Å; I1409-Y1411 VanDerWaalsContact CG2-CZ 3.49Å; I1409-Y1411 WeakPolarHBondContact CG2-OH 3.34Å; Y1411-D1413 VanDerWaalsContact C-N 3.3Å; Y1411-D1413 PolarHBondContact O-N 3.08Å; Y1411-L1414 PolarHBondContact O-N 3.41Å; Y1411-I1415 PolarHBondContact O-N 2.92Å; Y1411-I1420 HydrophobicContact CD2-CD1 3.93Å; Y1411-I1420 HydrophobicContact CE2-CD1 4.43Å; Y1411-I1434 HydrophobicContact CD1-CD1 4.15Å; Y1411-I1434 HydrophobicContact CD2-CD1 4.31Å; Y1411-I1434 HydrophobicContact CE1-CD1 3.53Å; Y1411-I1434 HydrophobicContact CE2-CD1 3.72Å; Y1411-I1434 WeakPolarHBondContact OH-CD1 3.47Å; Y1411-L1441 HydrophobicContact CD1-CD1 3.91Å; Y1411-L1441 HydrophobicContact CG-CD1 4.5Å; Y1411-Y1443 HydrophobicContact CE1-CD2 4.14Å; Y1411-Y1443 HydrophobicContact CE1-CG 4.18Å; Y1411-Y1443 WeakPolarHBondContact OH-CD1 3.4Å | ||
| 1412 | D | 73.4 | Confident | 78.3 | Confident | 71 Ų | 71 | 74.2 Ų | 74.2 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -39.8 | -174.5 | -83.1 | -60.3 | 0 | 0 | 0 | 113.8 | P1390 S1410 L1414 T1416 | P1390-D1412 WeakPolarHBondContact CG-OD1 3.5Å; S1410-D1412 PolarHBondContact OG-N 3.2Å; S1410-D1412 VanDerWaalsContact OG-N 3.12Å; S1410-D1412 PolarHBondContact OG-OD2 3.22Å; D1412-L1414 VanDerWaalsContact C-N 3.26Å; D1412-L1414 PolarHBondContact O-N 3.42Å; D1412-T1416 VanDerWaalsContact O-CA 3.31Å; D1412-T1416 WeakPolarHBondContact O-CA 3.19Å; D1412-T1416 WeakPolarHBondContact O-CG2 3.45Å; D1412-T1416 PolarHBondContact O-N 2.95Å |
| 1413 | D | 74.8 | Confident | 79.1 | Confident | 163 Ų | 163 | 69.2 Ų | 69.2 | 87% | 0.872 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -25.9 | 179.8 | -70.1 | -30.8 | 0 | 0 | 0 | 113.4 | Y1411 | Y1411-D1413 VanDerWaalsContact C-N 3.3Å; Y1411-D1413 PolarHBondContact O-N 3.08Å |
| 1414 | L | 75.3 | Confident | 79.7 | Confident | 79 Ų | 79 | 69.6 Ų | 69.6 | 41% | 0.414 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -37.1 | 179.4 | -64.2 | 173.2 | 0 | 0 | 0 | 112.2 | Y1411 D1412 L1441 V1450 | Y1411-L1414 PolarHBondContact O-N 3.41Å; D1412-L1414 VanDerWaalsContact C-N 3.26Å; D1412-L1414 PolarHBondContact O-N 3.42Å; L1414-L1441 HydrophobicContact CB-CD1 4.32Å; L1414-L1441 HydrophobicContact CD1-CD1 3.91Å; L1414-V1450 HydrophobicContact CD1-CB 4.44Å; L1414-V1450 HydrophobicContact CD1-CG2 3.83Å |
| 1415 | I | 77.5 | Confident | 80 | Confident | 1 Ų | 1 | 66.5 Ų | 66.5 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -117.5 | 51.6 | -171.8 | -48.6 | 178 | 0 | 0 | 0 | 109.3 | Y1411 K1417 D1418 A1436 N1439 L1441 | Y1411-I1415 PolarHBondContact O-N 2.92Å; I1415-K1417 PolarHBondContact O-N 3Å; I1415-D1418 HydrophobicContact CG2-CB 3.59Å; I1415-D1418 WeakPolarHBondContact CG2-O 3.38Å; I1415-D1418 PolarHBondContact O-N 2.92Å; I1415-D1418 VanDerWaalsContact O-N 3.12Å; I1415-A1436 HydrophobicContact CD1-CB 4.45Å; I1415-A1436 HydrophobicContact CG2-CB 3.84Å; I1415-N1439 HydrophobicContact CG1-CB 4.42Å; I1415-N1439 HydrophobicContact CG2-CB 4.4Å; I1415-L1441 HydrophobicContact CD1-CD1 3.66Å; I1415-L1441 HydrophobicContact CD1-CG 3.94Å; I1415-L1441 HydrophobicContact CG1-CD1 3.98Å; I1415-L1441 HydrophobicContact CG1-CG 4.34Å |
| 1416 | T | 69.1 | Low | 80.2 | Confident | 106 Ų | 106 | 60.5 Ų | 60.5 | 65% | 0.65 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 109.1 | -175 | 50.9 | 0 | 0 | 0 | 0 | 112.7 | D1412 D1418 | D1412-T1416 VanDerWaalsContact O-CA 3.31Å; D1412-T1416 WeakPolarHBondContact O-CA 3.19Å; D1412-T1416 WeakPolarHBondContact O-CG2 3.45Å; D1412-T1416 PolarHBondContact O-N 2.95Å; T1416-D1418 PolarHBondContact O-N 3.32Å |
| 1417 | K | 71.5 | Confident | 79.9 | Confident | 191 Ų | 191 | 61.9 Ų | 61.9 | 83% | 0.83 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56 | 39.6 | -179 | -52.9 | -177.8 | -178.8 | -179.2 | 0 | 114.7 | I1415 | I1415-K1417 PolarHBondContact O-N 3Š|
| 1418 | D | 76.8 | Confident | 79.8 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | trans | -127.5 | 117.7 | 172.8 | 171.6 | 39.3 | 0 | 0 | 0 | 110.9 | I1415 T1416 A1436 K1437 K1438 N1439 | I1415-D1418 HydrophobicContact CG2-CB 3.59Å; I1415-D1418 WeakPolarHBondContact CG2-O 3.38Å; I1415-D1418 PolarHBondContact O-N 2.92Å; I1415-D1418 VanDerWaalsContact O-N 3.12Å; T1416-D1418 PolarHBondContact O-N 3.32Å; D1418-A1436 WeakPolarHBondContact OD2-CB 3.23Å; D1418-K1437 WeakPolarHBondContact OD1-CA 3.35Å; D1418-K1437 WeakPolarHBondContact OD1-CB 3.28Å; D1418-K1437 PolarHBondContact OD1-N 2.94Å; D1418-K1437 PolarHBondContact OD2-N 3.1Å; D1418-K1438 HydrophobicContact CB-CD 4.4Å; D1418-K1438 PolarHBondContact OD1-N 3.02Å; D1418-K1438 WeakPolarHBondContact OD2-CA 3.19Å; D1418-K1438 WeakPolarHBondContact OD2-CB 3.48Å; D1418-K1438 PolarHBondContact OD2-N 3.18Å; D1418-N1439 PolarHBondContact OD2-N 3.29Å; D1418-N1439 PolarHBondContact OD2-ND2 2.77Å | ||
| 1419 | N | 78.2 | Confident | 79.8 | Confident | 69 Ų | 69 | 61.5 Ų | 61.5 | 37% | 0.369 | 31% | 0.307 | S | S | . | . | trans | -76.1 | 135 | -168.3 | -57.8 | 61 | 0 | 0 | 0 | 111.8 | L1421 A1436 | N1419-L1421 PolarHBondContact O-N 2.99Å; N1419-A1436 WeakPolarHBondContact O-CA 3.3Å | ||
| 1420 | I | 84.7 | Confident | 79.9 | Confident | 10 Ų | 10 | 61.1 Ų | 61.1 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 123 | 168.4 | -56.7 | 173.4 | 0 | 0 | 0 | 108.9 | L1385 P1390 V1392 Y1411 I1423 I1434 | L1385-I1420 HydrophobicContact CD1-CB 4.08Å; L1385-I1420 HydrophobicContact CD1-CG2 3.66Å; P1390-I1420 HydrophobicContact CB-CD1 4.34Å; P1390-I1420 HydrophobicContact CB-CG1 4.24Å; V1392-I1420 HydrophobicContact CG2-CD1 4.3Å; Y1411-I1420 HydrophobicContact CD2-CD1 3.93Å; Y1411-I1420 HydrophobicContact CE2-CD1 4.43Å; I1420-I1423 HydrophobicContact CG2-CG2 3.96Å; I1420-I1434 HydrophobicContact CB-CG2 4.48Å; I1420-I1434 HydrophobicContact CD1-CG2 3.84Å; I1420-I1434 HydrophobicContact CG1-CG2 3.87Å; I1420-I1434 HydrophobicContact CG2-CG2 3.83Å |
| 1421 | L | 83.5 | Confident | 80.2 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -43.4 | -179.9 | -63.8 | -180 | 0 | 0 | 0 | 111.8 | R1371 N1419 H1435 K1437 | R1371-L1421 PolarHBondContact NH1-O 3.45Å; R1371-L1421 PolarHBondContact NH2-O 2.92Å; N1419-L1421 PolarHBondContact O-N 2.99Å; L1421-H1435 WeakPolarHBondContact CB-O 3.49Å; L1421-H1435 PolarHBondContact N-O 2.92Å; L1421-K1437 HydrophobicContact CD1-CG 3.88Å; L1421-K1437 HydrophobicContact CD2-CG 3.88Å; L1421-K1437 HydrophobicContact CG-CG 4Å |
| 1422 | D | 84.2 | Confident | 80.7 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 161.1 | 179.1 | -164.3 | 30.5 | 0 | 0 | 0 | 111.9 | K1372 H1435 | K1372-D1422 VanDerWaalsContact CD-OD1 3.24Å; K1372-D1422 WeakPolarHBondContact CD-OD1 3.43Å; K1372-D1422 WeakPolarHBondContact CE-OD1 3.28Å; K1372-D1422 VanDerWaalsContact NZ-CG 3.32Å; K1372-D1422 IonicContact NZ-OD1 3.29Å; K1372-D1422 PolarHBondContact NZ-OD1 3.24Å; K1372-D1422 IonicContact NZ-OD2 2.63Å; K1372-D1422 PolarHBondContact NZ-OD2 3.38Å; D1422-H1435 PolarHBondContact N-O 3.33Å; D1422-H1435 PolarHBondContact O-N 2.94Å |
| 1423 | I | 88.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 145.3 | 172.8 | 54.4 | 171.4 | 0 | 0 | 0 | 110.7 | K1372 L1374 F1383 L1385 V1392 I1420 L1432 L1433 I1434 | K1372-I1423 HydrophobicContact CD-CG1 4.32Å; K1372-I1423 PolarHBondContact NZ-O 3.07Å; L1374-I1423 HydrophobicContact CD1-CB 4.48Å; L1374-I1423 HydrophobicContact CD1-CD1 4.13Å; L1374-I1423 HydrophobicContact CD1-CG1 3.91Å; L1374-I1423 HydrophobicContact CG-CD1 4.49Å; L1374-I1423 HydrophobicContact CG-CG1 4.48Å; F1383-I1423 HydrophobicContact CB-CD1 4.18Å; L1385-I1423 HydrophobicContact CB-CD1 4.24Å; L1385-I1423 HydrophobicContact CD1-CG2 4.47Å; V1392-I1423 HydrophobicContact CG1-CD1 4.3Å; V1392-I1423 HydrophobicContact CG2-CG2 4.14Å; I1420-I1423 HydrophobicContact CG2-CG2 3.96Å; I1423-L1432 HydrophobicContact CB-CD1 4.36Å; I1423-L1433 WeakPolarHBondContact CA-O 3.21Å; I1423-I1434 HydrophobicContact CG2-CG1 4.38Å; I1423-I1434 HydrophobicContact CG2-CG2 4.46Å |
| 1424 | K | 86.9 | Confident | 82.2 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 143.9 | 177.3 | -64.4 | 177.2 | -179.9 | 175.5 | 0 | 111.3 | L1432 L1433 V1479 E1480 | K1424-L1432 CarbonylContact O-C 3.56Å; K1424-L1432 WeakPolarHBondContact O-CA 3.2Å; K1424-L1433 HydrophobicContact CB-CB 4.33Å; K1424-L1433 PolarHBondContact N-O 3.42Å; K1424-L1433 PolarHBondContact O-N 3.21Å; K1424-V1479 PolarHBondContact NZ-O 2.73Å; K1424-E1480 IonicContact NZ-OE1 2.69Å; K1424-E1480 PolarHBondContact NZ-OE1 3.42Å; K1424-E1480 IonicContact NZ-OE2 3.64Å; K1424-E1480 PolarHBondContact NZ-OE2 3.43Å |
| 1425 | L | 85.3 | Confident | 82.8 | Confident | 33 Ų | 33 | 45 Ų | 45 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 146.5 | 175.4 | -149.2 | 87.5 | 0 | 0 | 0 | 110.7 | N1377 F1383 L1432 Y1445 | N1377-L1425 HydrophobicContact CB-CD2 4.49Å; N1377-L1425 WeakPolarHBondContact OD1-CD2 3.3Å; F1383-L1425 HydrophobicContact CD2-CD1 4.04Å; F1383-L1425 HydrophobicContact CE2-CD1 3.65Å; L1425-L1432 HydrophobicContact CD1-CD1 4.17Å; L1425-Y1445 HydrophobicContact CD1-CD1 4.31Å; L1425-Y1445 HydrophobicContact CD1-CE1 3.59Å; L1425-Y1445 HydrophobicContact CG-CE1 4.15Å |
| 1426 | S | 85.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | trans | -69.2 | 151.3 | 165.8 | 158.3 | 0 | 0 | 0 | 0 | 111.3 | N1377 Y1428 H1429 F1431 D1485 | N1377-S1426 PolarHBondContact ND2-O 2.96Å; S1426-Y1428 PolarHBondContact OG-N 2.8Å; S1426-H1429 WeakPolarHBondContact CB-O 3.47Å; S1426-H1429 PolarHBondContact OG-N 3.48Å; S1426-H1429 PolarHBondContact OG-O 3.38Å; S1426-F1431 WeakPolarHBondContact CB-O 3.39Å; S1426-F1431 PolarHBondContact N-O 3.03Å; S1426-D1485 WeakPolarHBondContact CB-OD2 3.43Å; S1426-D1485 PolarHBondContact OG-OD2 2.77Å | ||
| 1427 | K | 76 | Confident | 84 | Confident | 108 Ų | 108 | 44 Ų | 44 | 47% | 0.47 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -83.1 | -39.8 | 175 | -60.6 | 176.9 | -166.5 | 164.2 | 0 | 111.6 | N1377 D1485 E1526 | N1377-K1427 PolarHBondContact ND2-O 3.34Å; K1427-D1485 PolarHBondContact N-OD2 3.02Å; K1427-E1526 IonicContact NZ-OE1 3.79Å; K1427-E1526 PolarHBondContact NZ-OE1 3.03Å |
| 1428 | Y | 79.1 | Confident | 84.6 | Confident | 122 Ų | 122 | 40.8 Ų | 40.8 | 48% | 0.478 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -106.9 | -17.3 | -166.7 | -52.2 | -76.3 | 0 | 0 | 0 | 114.3 | S1426 N1484 D1485 E1526 | S1426-Y1428 PolarHBondContact OG-N 2.8Å; Y1428-N1484 HydrophobicContact CD2-CB 4.11Å; Y1428-N1484 HydrophobicContact CE2-CB 4.11Å; Y1428-D1485 HydrophobicContact CD2-CB 4.46Å; Y1428-D1485 WeakPolarHBondContact CD2-OD2 3.34Å; Y1428-D1485 PolarHBondContact N-OD2 2.86Å; Y1428-D1485 VanDerWaalsContact N-OD2 3.09Å; Y1428-E1526 WeakPolarHBondContact CE2-OE1 3.44Å; Y1428-E1526 PolarHBondContact OH-OE1 3.1Å |
| 1429 | H | 82 | Confident | 85.1 | Confident | 85 Ų | 85 | 41.7 Ų | 41.7 | 39% | 0.394 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -132.6 | 170.4 | -172.6 | -56.1 | 96.2 | 0 | 0 | 0 | 111.8 | S1426 F1431 N1484 | S1426-H1429 WeakPolarHBondContact CB-O 3.47Å; S1426-H1429 PolarHBondContact OG-N 3.48Å; S1426-H1429 PolarHBondContact OG-O 3.38Å; H1429-F1431 HydrophobicContact CB-CD1 4.35Å; H1429-F1431 HydrophobicContact CB-CD2 3.55Å; H1429-F1431 HydrophobicContact CB-CE1 4.4Å; H1429-F1431 HydrophobicContact CB-CE2 3.63Å; H1429-F1431 HydrophobicContact CB-CG 3.93Å; H1429-F1431 HydrophobicContact CB-CZ 4.07Å; H1429-F1431 AromaticContact CG-CE2 3.75Å; H1429-F1431 PolarHBondContact O-N 2.67Å; H1429-N1484 PolarHBondContact CE1-O 2.89Å |
| 1430 | S | 85.2 | Confident | 85.6 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 13% | 0.126 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -73.3 | 27.8 | 174.5 | 51.7 | 0 | 0 | 0 | 0 | 114 | D1444 Y1445 | S1430-D1444 VanDerWaalsContact CB-OD1 3.31Å; S1430-D1444 WeakPolarHBondContact CB-OD1 3.42Å; S1430-D1444 CarbonylContact O-C 3.58Å; S1430-D1444 WeakPolarHBondContact O-CA 3.35Å; S1430-D1444 PolarHBondContact OG-OD1 3.03Å; S1430-D1444 PolarHBondContact OG-OD2 3.04Å; S1430-Y1445 WeakPolarHBondContact O-CD1 3.45Å; S1430-Y1445 WeakPolarHBondContact O-CE1 3.42Å; S1430-Y1445 PolarHBondContact O-N 2.7Å |
| 1431 | F | 88.9 | Confident | 85.9 | Confident | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 144 | -173.1 | -53.5 | -33.2 | 0 | 0 | 0 | 113.8 | S1426 H1429 V1442 Y1443 D1444 F1451 F1481 V1501 | S1426-F1431 WeakPolarHBondContact CB-O 3.39Å; S1426-F1431 PolarHBondContact N-O 3.03Å; H1429-F1431 HydrophobicContact CB-CD1 4.35Å; H1429-F1431 HydrophobicContact CB-CD2 3.55Å; H1429-F1431 HydrophobicContact CB-CE1 4.4Å; H1429-F1431 HydrophobicContact CB-CE2 3.63Å; H1429-F1431 HydrophobicContact CB-CG 3.93Å; H1429-F1431 HydrophobicContact CB-CZ 4.07Å; H1429-F1431 AromaticContact CG-CE2 3.75Å; H1429-F1431 PolarHBondContact O-N 2.67Å; F1431-V1442 HydrophobicContact CB-CG1 3.96Å; F1431-V1442 HydrophobicContact CD1-CG1 4.42Å; F1431-V1442 HydrophobicContact CD2-CG1 4.22Å; F1431-V1442 HydrophobicContact CG-CG1 3.97Å; F1431-Y1443 CarbonylContact C-O 3.59Å; F1431-Y1443 WeakPolarHBondContact CA-O 3.3Å; F1431-D1444 HydrophobicContact CD1-CB 3.92Å; F1431-D1444 HydrophobicContact CE1-CB 4.08Å; F1431-F1451 AromaticContact CE1-CD2 3.85Å; F1431-F1451 HydrophobicContact CE1-CD2 3.85Å; F1431-F1451 AromaticContact CE1-CE2 3.82Å; F1431-F1451 HydrophobicContact CE1-CE2 3.82Å; F1431-F1451 HydrophobicContact CE1-CG 4.37Å; F1431-F1451 HydrophobicContact CE1-CZ 4.31Å; F1431-F1451 HydrophobicContact CZ-CD2 4.44Å; F1431-F1451 HydrophobicContact CZ-CE2 4.38Å; F1431-F1451 HydrophobicContact CZ-CZ 4.46Å; F1431-F1481 HydrophobicContact CB-CZ 4Å; F1431-V1501 HydrophobicContact CE2-CG1 4.13Å |
| 1432 | L | 88.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117 | 169.9 | -173.3 | 74.5 | 0 | 0 | 0 | 108 | F1383 I1423 K1424 L1425 I1434 Y1443 Y1445 | F1383-L1432 HydrophobicContact CD1-CD2 4.34Å; I1423-L1432 HydrophobicContact CB-CD1 4.36Å; K1424-L1432 CarbonylContact O-C 3.56Å; K1424-L1432 WeakPolarHBondContact O-CA 3.2Å; L1425-L1432 HydrophobicContact CD1-CD1 4.17Å; L1432-I1434 HydrophobicContact CD2-CD1 4.34Å; L1432-I1434 HydrophobicContact CD2-CG1 4.25Å; L1432-I1434 HydrophobicContact CG-CG1 4.26Å; L1432-Y1443 HydrophobicContact CB-CD1 4.27Å; L1432-Y1443 HydrophobicContact CD2-CD1 4.32Å; L1432-Y1443 PolarHBondContact N-O 3.38Å; L1432-Y1443 PolarHBondContact O-N 2.96Å; L1432-Y1445 HydrophobicContact CB-CD1 4.29Å |
| 1433 | L | 90.2 | Very high | 86.4 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 124.4 | 174.1 | -174.5 | 66.5 | 0 | 0 | 0 | 109.2 | I1423 K1424 V1440 V1442 V1479 F1481 V1488 | I1423-L1433 WeakPolarHBondContact CA-O 3.21Å; K1424-L1433 HydrophobicContact CB-CB 4.33Å; K1424-L1433 PolarHBondContact N-O 3.42Å; K1424-L1433 PolarHBondContact O-N 3.21Å; L1433-V1440 HydrophobicContact CD1-CG1 3.85Å; L1433-V1442 HydrophobicContact CD1-CG2 4Å; L1433-V1479 HydrophobicContact CD1-CG1 4.07Å; L1433-V1479 HydrophobicContact CD2-CB 4.28Å; L1433-V1479 HydrophobicContact CD2-CG1 3.84Å; L1433-V1479 HydrophobicContact CG-CG1 4.22Å; L1433-F1481 HydrophobicContact CB-CD2 4.34Å; L1433-F1481 HydrophobicContact CB-CE2 3.65Å; L1433-F1481 HydrophobicContact CB-CZ 3.77Å; L1433-F1481 HydrophobicContact CD1-CE1 4.28Å; L1433-F1481 HydrophobicContact CD1-CZ 4.26Å; L1433-F1481 HydrophobicContact CD2-CD2 4.26Å; L1433-F1481 HydrophobicContact CD2-CE2 4.35Å; L1433-F1481 HydrophobicContact CD2-CG 4.47Å; L1433-F1481 HydrophobicContact CG-CE2 4.48Å; L1433-F1481 HydrophobicContact CG-CZ 4.45Å; L1433-V1488 HydrophobicContact CD1-CG1 4.22Å; L1433-V1488 HydrophobicContact CD1-CG2 4.04Å |
| 1434 | I | 89.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.6 | -175.1 | -54 | 174.2 | 0 | 0 | 0 | 108.5 | Y1411 I1420 I1423 L1432 V1440 L1441 | Y1411-I1434 HydrophobicContact CD1-CD1 4.15Å; Y1411-I1434 HydrophobicContact CD2-CD1 4.31Å; Y1411-I1434 HydrophobicContact CE1-CD1 3.53Å; Y1411-I1434 HydrophobicContact CE2-CD1 3.72Å; Y1411-I1434 WeakPolarHBondContact OH-CD1 3.47Å; I1420-I1434 HydrophobicContact CB-CG2 4.48Å; I1420-I1434 HydrophobicContact CD1-CG2 3.84Å; I1420-I1434 HydrophobicContact CG1-CG2 3.87Å; I1420-I1434 HydrophobicContact CG2-CG2 3.83Å; I1423-I1434 HydrophobicContact CG2-CG1 4.38Å; I1423-I1434 HydrophobicContact CG2-CG2 4.46Å; L1432-I1434 HydrophobicContact CD2-CD1 4.34Å; L1432-I1434 HydrophobicContact CD2-CG1 4.25Å; L1432-I1434 HydrophobicContact CG-CG1 4.26Å; I1434-V1440 WeakPolarHBondContact O-CA 3.46Å; I1434-L1441 HydrophobicContact CB-CB 4.3Å; I1434-L1441 PolarHBondContact N-O 2.92Å; I1434-L1441 PolarHBondContact O-N 2.88Å |
| 1435 | H | 89.9 | Confident | 86.3 | Confident | 20 Ų | 20 | 32.5 Ų | 32.5 | 9% | 0.093 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 113 | -178.8 | 173.4 | -153.3 | 0 | 0 | 0 | 109.9 | L1421 D1422 F1476 V1479 | L1421-H1435 WeakPolarHBondContact CB-O 3.49Å; L1421-H1435 PolarHBondContact N-O 2.92Å; D1422-H1435 PolarHBondContact N-O 3.33Å; D1422-H1435 PolarHBondContact O-N 2.94Å; H1435-F1476 PolarHBondContact NE2-O 2.92Å; H1435-V1479 HydrophobicContact CB-CG2 3.93Å |
| 1436 | A | 86.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 174.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1415 D1418 N1419 K1438 N1439 | I1415-A1436 HydrophobicContact CD1-CB 4.45Å; I1415-A1436 HydrophobicContact CG2-CB 3.84Å; D1418-A1436 WeakPolarHBondContact OD2-CB 3.23Å; N1419-A1436 WeakPolarHBondContact O-CA 3.3Å; A1436-K1438 PolarHBondContact O-N 2.87Å; A1436-N1439 CarbonylContact C-O 3.54Å; A1436-N1439 WeakPolarHBondContact CA-O 3.38Å; A1436-N1439 PolarHBondContact N-O 3.2Å; A1436-N1439 VanDerWaalsContact O-O 3.13Å |
| 1437 | K | 83.6 | Confident | 86 | Confident | 88 Ų | 88 | 42.3 Ų | 42.3 | 38% | 0.383 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -69.8 | -34.3 | -173 | -56.7 | 167.1 | 178.6 | 171.4 | 0 | 112.1 | D1418 L1421 V1475 F1476 | D1418-K1437 WeakPolarHBondContact OD1-CA 3.35Å; D1418-K1437 WeakPolarHBondContact OD1-CB 3.28Å; D1418-K1437 PolarHBondContact OD1-N 2.94Å; D1418-K1437 PolarHBondContact OD2-N 3.1Å; L1421-K1437 HydrophobicContact CD1-CG 3.88Å; L1421-K1437 HydrophobicContact CD2-CG 3.88Å; L1421-K1437 HydrophobicContact CG-CG 4Å; K1437-V1475 HydrophobicContact CB-CB 4.3Å; K1437-V1475 HydrophobicContact CB-CG1 3.99Å; K1437-V1475 CarbonylContact O-C 3.44Å; K1437-V1475 VanDerWaalsContact O-CA 3.27Å; K1437-V1475 WeakPolarHBondContact O-CA 3.27Å; K1437-V1475 WeakPolarHBondContact O-CB 3.31Å; K1437-F1476 PolarHBondContact O-N 2.99Å |
| 1438 | K | 83.7 | Confident | 86.3 | Confident | 123 Ų | 123 | 43 Ų | 43 | 54% | 0.535 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -114 | -10.1 | -175.8 | -54.5 | 169.2 | -172.1 | 159.1 | 0 | 113.5 | D1418 A1436 F1476 | D1418-K1438 HydrophobicContact CB-CD 4.4Å; D1418-K1438 PolarHBondContact OD1-N 3.02Å; D1418-K1438 WeakPolarHBondContact OD2-CA 3.19Å; D1418-K1438 WeakPolarHBondContact OD2-CB 3.48Å; D1418-K1438 PolarHBondContact OD2-N 3.18Å; A1436-K1438 PolarHBondContact O-N 2.87Å; K1438-F1476 WeakPolarHBondContact O-CE2 3.48Å |
| 1439 | N | 87.4 | Confident | 86.5 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 151.4 | -173.2 | -57.7 | -85 | 0 | 0 | 0 | 111.2 | I1415 D1418 A1436 H1453 I1454 | I1415-N1439 HydrophobicContact CG1-CB 4.42Å; I1415-N1439 HydrophobicContact CG2-CB 4.4Å; D1418-N1439 PolarHBondContact OD2-N 3.29Å; D1418-N1439 PolarHBondContact OD2-ND2 2.77Å; A1436-N1439 CarbonylContact C-O 3.54Å; A1436-N1439 WeakPolarHBondContact CA-O 3.38Å; A1436-N1439 PolarHBondContact N-O 3.2Å; A1436-N1439 VanDerWaalsContact O-O 3.13Å; N1439-H1453 PolarHBondContact OD1-NE2 3.17Å; N1439-I1454 WeakPolarHBondContact CA-O 3.41Å |
| 1440 | V | 89.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 133.2 | 164.9 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | L1433 I1434 I1454 F1476 V1479 V1488 | L1433-V1440 HydrophobicContact CD1-CG1 3.85Å; I1434-V1440 WeakPolarHBondContact O-CA 3.46Å; V1440-I1454 HydrophobicContact CB-CB 4.17Å; V1440-I1454 PolarHBondContact N-O 3.13Å; V1440-I1454 PolarHBondContact O-N 3.09Å; V1440-F1476 HydrophobicContact CG2-CB 4.39Å; V1440-F1476 HydrophobicContact CG2-CD1 4.1Å; V1440-F1476 HydrophobicContact CG2-CD2 3.93Å; V1440-F1476 HydrophobicContact CG2-CE1 4.35Å; V1440-F1476 HydrophobicContact CG2-CE2 4.19Å; V1440-F1476 HydrophobicContact CG2-CG 3.89Å; V1440-F1476 HydrophobicContact CG2-CZ 4.4Å; V1440-V1479 HydrophobicContact CG1-CG1 3.7Å; V1440-V1479 HydrophobicContact CG1-CG2 4.27Å; V1440-V1479 HydrophobicContact CG2-CG1 4.36Å; V1440-V1479 HydrophobicContact CG2-CG2 3.69Å; V1440-V1488 HydrophobicContact CG1-CG1 4.48Å |
| 1441 | L | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 149 | 173.9 | -56.8 | -173.8 | 0 | 0 | 0 | 111.6 | Y1411 L1414 I1415 I1434 V1450 V1452 H1453 | Y1411-L1441 HydrophobicContact CD1-CD1 3.91Å; Y1411-L1441 HydrophobicContact CG-CD1 4.5Å; L1414-L1441 HydrophobicContact CB-CD1 4.32Å; L1414-L1441 HydrophobicContact CD1-CD1 3.91Å; I1415-L1441 HydrophobicContact CD1-CD1 3.66Å; I1415-L1441 HydrophobicContact CD1-CG 3.94Å; I1415-L1441 HydrophobicContact CG1-CD1 3.98Å; I1415-L1441 HydrophobicContact CG1-CG 4.34Å; I1434-L1441 HydrophobicContact CB-CB 4.3Å; I1434-L1441 PolarHBondContact N-O 2.92Å; I1434-L1441 PolarHBondContact O-N 2.88Å; L1441-V1450 HydrophobicContact CB-CG1 4.3Å; L1441-V1450 HydrophobicContact CD1-CG1 4.41Å; L1441-V1450 HydrophobicContact CD1-CG2 4.31Å; L1441-V1450 HydrophobicContact CD2-CG1 4.12Å; L1441-V1452 WeakPolarHBondContact CA-O 3.46Å; L1441-H1453 HydrophobicContact CD2-CB 3.68Å; L1441-H1453 VanDerWaalsContact CD2-CD2 3.45Å; L1441-H1453 WeakPolarHBondContact CD2-CD2 3.33Å |
| 1442 | V | 90.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 114.1 | 161.5 | -177.8 | 0 | 0 | 0 | 0 | 107.7 | F1431 L1433 V1450 F1451 V1452 F1481 V1488 V1501 | F1431-V1442 HydrophobicContact CB-CG1 3.96Å; F1431-V1442 HydrophobicContact CD1-CG1 4.42Å; F1431-V1442 HydrophobicContact CD2-CG1 4.22Å; F1431-V1442 HydrophobicContact CG-CG1 3.97Å; L1433-V1442 HydrophobicContact CD1-CG2 4Å; V1442-V1450 CarbonylContact O-C 3.55Å; V1442-V1450 WeakPolarHBondContact O-CA 3.46Å; V1442-F1451 HydrophobicContact CB-CB 4.45Å; V1442-F1451 HydrophobicContact CG1-CB 4.34Å; V1442-F1451 PolarHBondContact O-N 2.69Å; V1442-V1452 HydrophobicContact CB-CB 4.42Å; V1442-V1452 HydrophobicContact CG2-CB 4.31Å; V1442-V1452 PolarHBondContact N-O 3.44Å; V1442-F1481 HydrophobicContact CG1-CE1 4.23Å; V1442-F1481 HydrophobicContact CG1-CZ 4.2Å; V1442-F1481 HydrophobicContact CG2-CE1 4.14Å; V1442-V1488 HydrophobicContact CG2-CG2 3.8Å; V1442-V1501 HydrophobicContact CG1-CG1 4.3Å |
| 1443 | Y | 88.7 | Confident | 86.3 | Confident | 12 Ų | 12 | 45 Ų | 45 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.3 | -178.4 | 169.3 | -103.1 | 0 | 0 | 0 | 110.8 | I1409 Y1411 F1431 L1432 D1448 V1450 | I1409-Y1443 HydrophobicContact CD1-CE1 3.88Å; Y1411-Y1443 HydrophobicContact CE1-CD2 4.14Å; Y1411-Y1443 HydrophobicContact CE1-CG 4.18Å; Y1411-Y1443 WeakPolarHBondContact OH-CD1 3.4Å; F1431-Y1443 CarbonylContact C-O 3.59Å; F1431-Y1443 WeakPolarHBondContact CA-O 3.3Å; L1432-Y1443 HydrophobicContact CB-CD1 4.27Å; L1432-Y1443 HydrophobicContact CD2-CD1 4.32Å; L1432-Y1443 PolarHBondContact N-O 3.38Å; L1432-Y1443 PolarHBondContact O-N 2.96Å; Y1443-D1448 WeakPolarHBondContact CE2-OD1 3.38Å; Y1443-D1448 PolarHBondContact OH-OD1 3.08Å; Y1443-V1450 HydrophobicContact CD2-CG2 4.05Å |
| 1444 | D | 87.6 | Confident | 86.1 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 114.2 | 174.9 | -173.8 | -27 | 0 | 0 | 0 | 110.1 | S1430 F1431 E1446 N1447 D1448 A1449 F1451 | S1430-D1444 VanDerWaalsContact CB-OD1 3.31Å; S1430-D1444 WeakPolarHBondContact CB-OD1 3.42Å; S1430-D1444 CarbonylContact O-C 3.58Å; S1430-D1444 WeakPolarHBondContact O-CA 3.35Å; S1430-D1444 PolarHBondContact OG-OD1 3.03Å; S1430-D1444 PolarHBondContact OG-OD2 3.04Å; F1431-D1444 HydrophobicContact CD1-CB 3.92Å; F1431-D1444 HydrophobicContact CE1-CB 4.08Å; D1444-E1446 VanDerWaalsContact C-N 3.33Å; D1444-E1446 PolarHBondContact OD1-N 3.37Å; D1444-N1447 HydrophobicContact CB-CB 4.31Å; D1444-N1447 PolarHBondContact OD1-N 2.98Å; D1444-N1447 PolarHBondContact OD2-ND2 2.95Å; D1444-D1448 VanDerWaalsContact O-CA 3.3Å; D1444-D1448 WeakPolarHBondContact O-CA 3.38Å; D1444-D1448 PolarHBondContact O-N 2.87Å; D1444-A1449 PolarHBondContact N-O 3.37Å; D1444-A1449 PolarHBondContact O-N 2.97Å; D1444-F1451 HydrophobicContact CB-CD2 3.93Å; D1444-F1451 HydrophobicContact CB-CE2 3.94Å |
| 1445 | Y | 86.1 | Confident | 85.9 | Confident | 24 Ų | 24 | 48.1 Ų | 48.1 | 9% | 0.094 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 2.3 | -177 | 63.6 | -106.4 | 0 | 0 | 0 | 114.1 | F1383 L1425 S1430 L1432 | F1383-Y1445 HydrophobicContact CE1-CG 4.36Å; F1383-Y1445 HydrophobicContact CE2-CD1 4.4Å; F1383-Y1445 AromaticContact CZ-CD1 3.81Å; F1383-Y1445 HydrophobicContact CZ-CD1 3.81Å; F1383-Y1445 HydrophobicContact CZ-CD2 4.05Å; F1383-Y1445 HydrophobicContact CZ-CE1 4.34Å; F1383-Y1445 AromaticContact CZ-CG 3.66Å; F1383-Y1445 HydrophobicContact CZ-CG 3.66Å; L1425-Y1445 HydrophobicContact CD1-CD1 4.31Å; L1425-Y1445 HydrophobicContact CD1-CE1 3.59Å; L1425-Y1445 HydrophobicContact CG-CE1 4.15Å; S1430-Y1445 WeakPolarHBondContact O-CD1 3.45Å; S1430-Y1445 WeakPolarHBondContact O-CE1 3.42Å; S1430-Y1445 PolarHBondContact O-N 2.7Å; L1432-Y1445 HydrophobicContact CB-CD1 4.29Å |
| 1446 | E | 82.5 | Confident | 85.4 | Confident | 122 Ų | 122 | 51 Ų | 51 | 57% | 0.57 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | -34.9 | 168.5 | -66.3 | -160 | 147.4 | 0 | 0 | 112.2 | R1381 D1444 | R1381-E1446 IonicContact CZ-OE1 3.96Å; R1381-E1446 IonicContact NH2-OE1 3.42Å; R1381-E1446 PolarHBondContact NH2-OE1 3.25Å; D1444-E1446 VanDerWaalsContact C-N 3.33Å; D1444-E1446 PolarHBondContact OD1-N 3.37Å |
| 1447 | N | 81.6 | Confident | 85 | Confident | 117 Ų | 117 | 52.6 Ų | 52.6 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -3.8 | 175.7 | -66.4 | -66.7 | 0 | 0 | 0 | 114.6 | D1444 A1449 | D1444-N1447 HydrophobicContact CB-CB 4.31Å; D1444-N1447 PolarHBondContact OD1-N 2.98Å; D1444-N1447 PolarHBondContact OD2-ND2 2.95Å; N1447-A1449 PolarHBondContact O-N 2.99Å |
| 1448 | D | 81.3 | Confident | 84.3 | Confident | 123 Ų | 123 | 55.9 Ų | 55.9 | 66% | 0.658 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 46.9 | -178.3 | -161.4 | 13.5 | 0 | 0 | 0 | 113.3 | Y1443 D1444 | Y1443-D1448 WeakPolarHBondContact CE2-OD1 3.38Å; Y1443-D1448 PolarHBondContact OH-OD1 3.08Å; D1444-D1448 VanDerWaalsContact O-CA 3.3Å; D1444-D1448 WeakPolarHBondContact O-CA 3.38Å; D1444-D1448 PolarHBondContact O-N 2.87Å |
| 1449 | A | 84.8 | Confident | 83.3 | Confident | 40 Ų | 40 | 53.5 Ų | 53.5 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D1444 N1447 | D1444-A1449 PolarHBondContact N-O 3.37Å; D1444-A1449 PolarHBondContact O-N 2.97Å; N1447-A1449 PolarHBondContact O-N 2.99Å |
| 1450 | V | 83.4 | Confident | 82.4 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 33% | 0.333 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 116.9 | 172.3 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | L1414 L1441 V1442 Y1443 | L1414-V1450 HydrophobicContact CD1-CB 4.44Å; L1414-V1450 HydrophobicContact CD1-CG2 3.83Å; L1441-V1450 HydrophobicContact CB-CG1 4.3Å; L1441-V1450 HydrophobicContact CD1-CG1 4.41Å; L1441-V1450 HydrophobicContact CD1-CG2 4.31Å; L1441-V1450 HydrophobicContact CD2-CG1 4.12Å; V1442-V1450 CarbonylContact O-C 3.55Å; V1442-V1450 WeakPolarHBondContact O-CA 3.46Å; Y1443-V1450 HydrophobicContact CD2-CG2 4.05Å |
| 1451 | F | 82.6 | Confident | 81.3 | Confident | 104 Ų | 104 | 56.8 Ų | 56.8 | 46% | 0.456 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -43.7 | -179.7 | -99.8 | -97.9 | 0 | 0 | 0 | 112.8 | F1431 V1442 D1444 | F1431-F1451 AromaticContact CE1-CD2 3.85Å; F1431-F1451 HydrophobicContact CE1-CD2 3.85Å; F1431-F1451 AromaticContact CE1-CE2 3.82Å; F1431-F1451 HydrophobicContact CE1-CE2 3.82Å; F1431-F1451 HydrophobicContact CE1-CG 4.37Å; F1431-F1451 HydrophobicContact CE1-CZ 4.31Å; F1431-F1451 HydrophobicContact CZ-CD2 4.44Å; F1431-F1451 HydrophobicContact CZ-CE2 4.38Å; F1431-F1451 HydrophobicContact CZ-CZ 4.46Å; V1442-F1451 HydrophobicContact CB-CB 4.45Å; V1442-F1451 HydrophobicContact CG1-CB 4.34Å; V1442-F1451 PolarHBondContact O-N 2.69Å; D1444-F1451 HydrophobicContact CB-CD2 3.93Å; D1444-F1451 HydrophobicContact CB-CE2 3.94Å |
| 1452 | V | 85.1 | Confident | 80.3 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 5% | 0.048 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 140 | -176.7 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | L1441 V1442 I1454 V1501 | L1441-V1452 WeakPolarHBondContact CA-O 3.46Å; V1442-V1452 HydrophobicContact CB-CB 4.42Å; V1442-V1452 HydrophobicContact CG2-CB 4.31Å; V1442-V1452 PolarHBondContact N-O 3.44Å; V1452-I1454 HydrophobicContact CG1-CD1 4.45Å; V1452-I1454 HydrophobicContact CG1-CG1 3.8Å; V1452-V1501 VanDerWaalsContact CG2-O 3.23Å; V1452-V1501 WeakPolarHBondContact CG2-O 3.02Å |
| 1453 | H | 87.8 | Confident | 79.4 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 36% | 0.361 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 114.5 | 171.4 | 175.5 | -160.6 | 0 | 0 | 0 | 109.7 | N1439 L1441 T1455 | N1439-H1453 PolarHBondContact OD1-NE2 3.17Å; L1441-H1453 HydrophobicContact CD2-CB 3.68Å; L1441-H1453 VanDerWaalsContact CD2-CD2 3.45Å; L1441-H1453 WeakPolarHBondContact CD2-CD2 3.33Å; H1453-T1455 WeakPolarHBondContact NE2-CG2 3.42Å |
| 1454 | I | 86 | Confident | 78.3 | Confident | 1 Ų | 1 | 73.6 Ų | 73.6 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 132.8 | 179.6 | -49.6 | 177.4 | 0 | 0 | 0 | 109.6 | N1439 V1440 V1452 F1476 V1488 W1499 | N1439-I1454 WeakPolarHBondContact CA-O 3.41Å; V1440-I1454 HydrophobicContact CB-CB 4.17Å; V1440-I1454 PolarHBondContact N-O 3.13Å; V1440-I1454 PolarHBondContact O-N 3.09Å; V1452-I1454 HydrophobicContact CG1-CD1 4.45Å; V1452-I1454 HydrophobicContact CG1-CG1 3.8Å; I1454-F1476 HydrophobicContact CG2-CE1 4.35Å; I1454-F1476 HydrophobicContact CG2-CZ 3.91Å; I1454-V1488 HydrophobicContact CD1-CB 4.1Å; I1454-V1488 HydrophobicContact CD1-CG1 3.6Å; I1454-W1499 HydrophobicContact CD1-CB 3.93Å; I1454-W1499 HydrophobicContact CD1-CD2 4.13Å; I1454-W1499 HydrophobicContact CD1-CG 3.76Å; I1454-W1499 HydrophobicContact CG1-CD2 3.97Å; I1454-W1499 HydrophobicContact CG1-CE3 4.18Å; I1454-W1499 HydrophobicContact CG1-CG 4.16Å; I1454-W1499 HydrophobicContact CG2-CD2 4.09Å; I1454-W1499 HydrophobicContact CG2-CG 4.43Å; I1454-W1499 HydrophobicContact CG2-CZ2 3.83Å |
| 1455 | T | 85 | Confident | 76.9 | Confident | 67 Ų | 67 | 75.3 Ų | 75.3 | 41% | 0.411 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 167.6 | 177.4 | 60 | 0 | 0 | 0 | 0 | 110.9 | H1453 P1457 | H1453-T1455 WeakPolarHBondContact NE2-CG2 3.42Å; T1455-P1457 WeakPolarHBondContact O-CD 3.47Å |
| 1456 | R | 80.5 | Confident | 75.5 | Confident | 82 Ų | 82 | 75 Ų | 75 | 31% | 0.309 | 40% | 0.398 | S | S | . | . | trans | -68.8 | 125 | -179.5 | -177.6 | -178.4 | 64.2 | -128 | -16 | 111.5 | I1460 L1474 I1492 | R1456-I1460 HydrophobicContact CG-CB 3.96Å; R1456-I1460 HydrophobicContact CG-CG2 4.24Å; R1456-L1474 PolarHBondContact NH1-O 3.3Å; R1456-I1492 HydrophobicContact CB-CD1 4.11Å; R1456-I1492 HydrophobicContact CG-CD1 3.87Å | ||
| 1457 | P | 77.6 | Confident | 73.6 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 21% | 0.214 | 38% | 0.38 | C | S | . | . | trans | -57.3 | 151.6 | 175.6 | -27.2 | 35.5 | 0 | 0 | 0 | 114.5 | T1455 G1459 I1460 L1497 | T1455-P1457 WeakPolarHBondContact O-CD 3.47Å; P1457-G1459 VanDerWaalsContact C-N 3.26Å; P1457-G1459 PolarHBondContact O-N 2.69Å; P1457-I1460 HydrophobicContact CG-CD1 4.43Å; P1457-I1460 PolarHBondContact O-N 2.86Å; P1457-L1497 HydrophobicContact CG-CD1 3.69Å; P1457-L1497 HydrophobicContact CG-CD2 3.98Å | ||
| 1458 | T | 69.6 | Low | 71.7 | Confident | 157 Ų | 157 | 71.7 Ų | 71.7 | 96% | 0.963 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.9 | -174.8 | 47.6 | 0 | 0 | 0 | 0 | 115 | ||
| 1459 | G | 63.1 | Low | 70.1 | Confident | 72 Ų | 72 | 68 Ų | 68 | 74% | 0.742 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -4.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | P1457 | P1457-G1459 VanDerWaalsContact C-N 3.26Å; P1457-G1459 PolarHBondContact O-N 2.69Å |
| 1460 | I | 68.3 | Low | 68.7 | Low | 21 Ų | 21 | 75 Ų | 75 | 11% | 0.108 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -98 | 126.1 | 179.7 | -57.4 | -176.7 | 0 | 0 | 0 | 109.3 | R1456 P1457 L1474 I1492 N1495 | R1456-I1460 HydrophobicContact CG-CB 3.96Å; R1456-I1460 HydrophobicContact CG-CG2 4.24Å; P1457-I1460 HydrophobicContact CG-CD1 4.43Å; P1457-I1460 PolarHBondContact O-N 2.86Å; I1460-L1474 HydrophobicContact CG2-CD1 3.79Å; I1460-I1492 HydrophobicContact CD1-CB 4.49Å; I1460-I1492 HydrophobicContact CD1-CD1 4.35Å; I1460-I1492 HydrophobicContact CG2-CG2 4.16Å; I1460-N1495 HydrophobicContact CD1-CB 4.49Å |
| 1461 | P | 65.8 | Low | 67.6 | Low | 71 Ų | 71 | 79.4 Ų | 79.4 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | trans | -63.1 | 162.9 | -178.1 | 24.1 | -32.2 | 0 | 0 | 0 | 112.6 | L1474 | P1461-L1474 HydrophobicContact CG-CD1 3.93Š| ||
| 1462 | R | 69.9 | Low | 66.8 | Low | 196 Ų | 196 | 78.2 Ų | 78.2 | 74% | 0.74 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -74.4 | -34 | -179 | -63.7 | -170.7 | 175 | -171.4 | -0.9 | 112.8 | L1474 | R1462-L1474 PolarHBondContact O-N 2.88Š|
| 1463 | E | 71.1 | Confident | 66.1 | Low | 110 Ų | 110 | 81.1 Ų | 81.1 | 51% | 0.514 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 153.1 | -175.8 | -55.5 | -175.4 | 177.2 | 0 | 0 | 109 | Y1471 Q1472 | E1463-Y1471 HydrophobicContact CB-CD1 4.49Å; E1463-Q1472 CarbonylContact C-O 3.57Å; E1463-Q1472 VanDerWaalsContact CA-O 3.22Å; E1463-Q1472 WeakPolarHBondContact CA-O 3.27Å |
| 1464 | F | 65.4 | Low | 65.6 | Low | 60 Ų | 60 | 78 Ų | 78 | 26% | 0.263 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 141.7 | 177.5 | -171.9 | -90.2 | 0 | 0 | 0 | 110.1 | L1466 Q1472 L1474 F1493 | F1464-L1466 HydrophobicContact CD1-CD2 4.43Å; F1464-L1466 HydrophobicContact CD1-CG 4.19Å; F1464-L1466 HydrophobicContact CE1-CD2 3.95Å; F1464-L1466 HydrophobicContact CE1-CG 4.14Å; F1464-Q1472 PolarHBondContact N-O 2.77Å; F1464-Q1472 PolarHBondContact O-N 3.19Å; F1464-L1474 HydrophobicContact CB-CD1 4.16Å; F1464-L1474 HydrophobicContact CB-CD2 3.87Å; F1464-L1474 HydrophobicContact CB-CG 4.14Å; F1464-F1493 HydrophobicContact CD1-CE1 4.45Å; F1464-F1493 AromaticContact CD1-CE2 3.66Å; F1464-F1493 HydrophobicContact CD1-CE2 3.66Å; F1464-F1493 AromaticContact CD1-CZ 3.62Å; F1464-F1493 HydrophobicContact CD1-CZ 3.62Å; F1464-F1493 HydrophobicContact CE1-CE1 4.32Å; F1464-F1493 AromaticContact CE1-CE2 3.94Å; F1464-F1493 HydrophobicContact CE1-CE2 3.94Å; F1464-F1493 AromaticContact CE1-CZ 3.47Å; F1464-F1493 HydrophobicContact CE1-CZ 3.47Å; F1464-F1493 VanDerWaalsContact CE1-CZ 3.47Å; F1464-F1493 HydrophobicContact CE2-CE1 4.5Å; F1464-F1493 HydrophobicContact CE2-CZ 4.4Å; F1464-F1493 HydrophobicContact CG-CE2 4.26Å; F1464-F1493 HydrophobicContact CG-CZ 4.17Å; F1464-F1493 HydrophobicContact CZ-CE1 4.34Å; F1464-F1493 AromaticContact CZ-CZ 3.89Å; F1464-F1493 HydrophobicContact CZ-CZ 3.89Å |
| 1465 | R | 58.3 | Low | 65.4 | Low | 41 Ų | 41 | 80.3 Ų | 80.3 | 16% | 0.155 | 42% | 0.419 | C | S | . | . | trans | -108.1 | 111.2 | 177.2 | -176 | 175.6 | -177.6 | -168.4 | 1.2 | 109.6 | T1469 Y1471 T1615 H1616 N1617 | R1465-T1469 WeakPolarHBondContact CG-O 3.42Å; R1465-T1469 PolarHBondContact NE-O 2.96Å; R1465-Y1471 HydrophobicContact CB-CD1 3.83Å; R1465-Y1471 HydrophobicContact CB-CE1 3.85Å; R1465-Y1471 HydrophobicContact CB-CG 4.22Å; R1465-T1615 WeakPolarHBondContact CD-OG1 3.49Å; R1465-H1616 PolarHBondContact NH1-O 3.03Å; R1465-H1616 PolarHBondContact NH2-O 3.09Å; R1465-H1616 VanDerWaalsContact NH2-O 3.15Å; R1465-N1617 PolarHBondContact NH1-OD1 2.91Å; R1465-N1617 PolarHBondContact NH2-OD1 2.88Å | ||
| 1466 | L | 54.9 | Low | 65.5 | Low | 17 Ų | 17 | 77.3 Ų | 77.3 | 9% | 0.089 | 40% | 0.4 | C | S | . | . | trans | -75.4 | 153.8 | 168 | -74.5 | 162.4 | 0 | 0 | 0 | 110 | F1464 N1468 T1469 F1493 I1514 V1516 T1535 | F1464-L1466 HydrophobicContact CD1-CD2 4.43Å; F1464-L1466 HydrophobicContact CD1-CG 4.19Å; F1464-L1466 HydrophobicContact CE1-CD2 3.95Å; F1464-L1466 HydrophobicContact CE1-CG 4.14Å; L1466-N1468 PolarHBondContact O-N 2.51Å; L1466-T1469 WeakPolarHBondContact CA-OG1 3.35Å; L1466-T1469 HydrophobicContact CB-CG2 3.97Å; L1466-T1469 WeakPolarHBondContact CB-OG1 3.41Å; L1466-T1469 PolarHBondContact N-OG1 2.85Å; L1466-T1469 VanDerWaalsContact N-OG1 3.14Å; L1466-T1469 WeakPolarHBondContact O-CB 3.46Å; L1466-T1469 PolarHBondContact O-N 2.76Å; L1466-T1469 PolarHBondContact O-OG1 2.95Å; L1466-F1493 HydrophobicContact CD2-CE2 4.18Å; L1466-F1493 HydrophobicContact CD2-CZ 4.32Å; L1466-F1493 HydrophobicContact CG-CE2 4.42Å; L1466-I1514 HydrophobicContact CD2-CG2 4.4Å; L1466-V1516 HydrophobicContact CD1-CG2 4.13Å; L1466-T1535 HydrophobicContact CD1-CG2 4.37Å | ||
| 1467 | P | 43.9 | Very low | 65.7 | Low | 29 Ų | 29 | 75.4 Ų | 75.4 | 19% | 0.188 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | 130.9 | 176.4 | -33.6 | 38.7 | 0 | 0 | 0 | 113.2 | T1469 T1575 D1598 E1599 | P1467-T1469 PolarHBondContact O-N 3.08Å; P1467-T1469 VanDerWaalsContact O-N 3.1Å; P1467-T1575 HydrophobicContact CG-CG2 4.36Å; P1467-D1598 WeakPolarHBondContact CA-OD2 3.36Å; P1467-D1598 WeakPolarHBondContact CB-OD1 3.43Å; P1467-E1599 HydrophobicContact CG-CG 3.74Å; P1467-E1599 VanDerWaalsContact CG-OE1 3.25Å; P1467-E1599 WeakPolarHBondContact CG-OE1 3.28Å |
| 1468 | N | 41.4 | Very low | 66.1 | Low | 140 Ų | 140 | 74.5 Ų | 74.5 | 75% | 0.749 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 18.8 | -178.5 | -63.3 | -94.8 | 0 | 0 | 0 | 115.6 | L1466 D1598 | L1466-N1468 PolarHBondContact O-N 2.51Å; N1468-D1598 PolarHBondContact N-OD2 2.99Å; N1468-D1598 PolarHBondContact ND2-OD1 3.11Å; N1468-D1598 VanDerWaalsContact ND2-OD1 3.1Å |
| 1469 | T | 48.7 | Very low | 67 | Low | 46 Ų | 46 | 67.2 Ų | 67.2 | 28% | 0.282 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -111.7 | 167 | 175.6 | 72.4 | 0 | 0 | 0 | 0 | 113.2 | R1465 L1466 P1467 | R1465-T1469 WeakPolarHBondContact CG-O 3.42Å; R1465-T1469 PolarHBondContact NE-O 2.96Å; L1466-T1469 WeakPolarHBondContact CA-OG1 3.35Å; L1466-T1469 HydrophobicContact CB-CG2 3.97Å; L1466-T1469 WeakPolarHBondContact CB-OG1 3.41Å; L1466-T1469 PolarHBondContact N-OG1 2.85Å; L1466-T1469 VanDerWaalsContact N-OG1 3.14Å; L1466-T1469 WeakPolarHBondContact O-CB 3.46Å; L1466-T1469 PolarHBondContact O-N 2.76Å; L1466-T1469 PolarHBondContact O-OG1 2.95Å; P1467-T1469 PolarHBondContact O-N 3.08Å; P1467-T1469 VanDerWaalsContact O-N 3.1Å |
| 1470 | K | 54.2 | Low | 68.2 | Low | 188 Ų | 188 | 65.9 Ų | 65.9 | 82% | 0.817 | 32% | 0.323 | S | S | * | . | trans | -75 | 156.4 | 164.2 | -60.7 | -176.4 | -178.9 | -177.1 | 0 | 109.7 | Q1472 | K1470-Q1472 WeakPolarHBondContact O-CG 3.35Å; K1470-Q1472 PolarHBondContact O-N 3.39Å | ||
| 1471 | Y | 60.9 | Low | 69.1 | Low | 147 Ų | 147 | 65.8 Ų | 65.8 | 58% | 0.576 | 32% | 0.321 | S | S | * | . | trans | -52.7 | 125.4 | 170.4 | -74.1 | -88 | 0 | 0 | 0 | 110.8 | E1463 R1465 | E1463-Y1471 HydrophobicContact CB-CD1 4.49Å; R1465-Y1471 HydrophobicContact CB-CD1 3.83Å; R1465-Y1471 HydrophobicContact CB-CE1 3.85Å; R1465-Y1471 HydrophobicContact CB-CG 4.22Å | ||
| 1472 | Q | 64.5 | Low | 70 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.2 | 179.2 | -54.2 | -172.4 | 14.8 | 0 | 0 | 108.9 | E1463 F1464 K1470 L1474 | E1463-Q1472 CarbonylContact C-O 3.57Å; E1463-Q1472 VanDerWaalsContact CA-O 3.22Å; E1463-Q1472 WeakPolarHBondContact CA-O 3.27Å; F1464-Q1472 PolarHBondContact N-O 2.77Å; F1464-Q1472 PolarHBondContact O-N 3.19Å; K1470-Q1472 WeakPolarHBondContact O-CG 3.35Å; K1470-Q1472 PolarHBondContact O-N 3.39Å; Q1472-L1474 PolarHBondContact O-N 2.67Å |
| 1473 | S | 71.3 | Confident | 70.5 | Confident | 68 Ų | 68 | 55 Ų | 55 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 129.7 | 175.7 | -163.9 | 0 | 0 | 0 | 0 | 110.4 | V1475 | S1473-V1475 PolarHBondContact O-N 3.29Å; S1473-V1475 VanDerWaalsContact O-N 3.14Å |
| 1474 | L | 76.9 | Confident | 70.9 | Confident | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | trans | -80.9 | 100.7 | -178.7 | -65 | -164.1 | 0 | 0 | 0 | 110.4 | R1456 I1460 P1461 R1462 F1464 Q1472 I1492 F1493 | R1456-L1474 PolarHBondContact NH1-O 3.3Å; I1460-L1474 HydrophobicContact CG2-CD1 3.79Å; P1461-L1474 HydrophobicContact CG-CD1 3.93Å; R1462-L1474 PolarHBondContact O-N 2.88Å; F1464-L1474 HydrophobicContact CB-CD1 4.16Å; F1464-L1474 HydrophobicContact CB-CD2 3.87Å; F1464-L1474 HydrophobicContact CB-CG 4.14Å; Q1472-L1474 PolarHBondContact O-N 2.67Å; L1474-I1492 HydrophobicContact CB-CG2 4.09Å; L1474-F1493 HydrophobicContact CD1-CB 4.27Å; L1474-F1493 HydrophobicContact CD2-CB 4.04Å; L1474-F1493 HydrophobicContact CD2-CD2 4.1Å; L1474-F1493 HydrophobicContact CD2-CG 4.27Å | ||
| 1475 | V | 82.3 | Confident | 71.7 | Confident | 49 Ų | 49 | 51 Ų | 51 | 30% | 0.297 | 26% | 0.26 | S | S | . | . | trans | -112.9 | 163.6 | -176.7 | -68.2 | 0 | 0 | 0 | 0 | 111.1 | K1437 S1473 T1477 | K1437-V1475 HydrophobicContact CB-CB 4.3Å; K1437-V1475 HydrophobicContact CB-CG1 3.99Å; K1437-V1475 CarbonylContact O-C 3.44Å; K1437-V1475 VanDerWaalsContact O-CA 3.27Å; K1437-V1475 WeakPolarHBondContact O-CA 3.27Å; K1437-V1475 WeakPolarHBondContact O-CB 3.31Å; S1473-V1475 PolarHBondContact O-N 3.29Å; S1473-V1475 VanDerWaalsContact O-N 3.14Å; V1475-T1477 PolarHBondContact O-N 3.32Å | ||
| 1476 | F | 87 | Confident | 73 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.013 | 27% | 0.268 | C | S | . | . | trans | -67.7 | 123.2 | 167.7 | -73.3 | -71.1 | 0 | 0 | 0 | 110.1 | H1435 K1437 K1438 V1440 I1454 A1490 A1491 I1492 L1497 | H1435-F1476 PolarHBondContact NE2-O 2.92Å; K1437-F1476 PolarHBondContact O-N 2.99Å; K1438-F1476 WeakPolarHBondContact O-CE2 3.48Å; V1440-F1476 HydrophobicContact CG2-CB 4.39Å; V1440-F1476 HydrophobicContact CG2-CD1 4.1Å; V1440-F1476 HydrophobicContact CG2-CD2 3.93Å; V1440-F1476 HydrophobicContact CG2-CE1 4.35Å; V1440-F1476 HydrophobicContact CG2-CE2 4.19Å; V1440-F1476 HydrophobicContact CG2-CG 3.89Å; V1440-F1476 HydrophobicContact CG2-CZ 4.4Å; I1454-F1476 HydrophobicContact CG2-CE1 4.35Å; I1454-F1476 HydrophobicContact CG2-CZ 3.91Å; F1476-A1490 HydrophobicContact CD1-CB 3.83Å; F1476-A1490 HydrophobicContact CE1-CB 3.7Å; F1476-A1491 WeakPolarHBondContact CA-O 3.43Å; F1476-I1492 HydrophobicContact CD1-CD1 3.91Å; F1476-I1492 HydrophobicContact CD1-CG1 3.55Å; F1476-I1492 HydrophobicContact CE1-CD1 3.55Å; F1476-I1492 HydrophobicContact CE1-CG1 3.66Å; F1476-I1492 HydrophobicContact CG-CG1 4.28Å; F1476-I1492 HydrophobicContact CZ-CD1 3.89Å; F1476-I1492 HydrophobicContact CZ-CG1 4.45Å; F1476-L1497 HydrophobicContact CE1-CD1 4.2Å | ||
| 1477 | T | 84.8 | Confident | 74.6 | Confident | 42 Ų | 42 | 52 Ų | 52 | 26% | 0.258 | 27% | 0.265 | S | S | . | . | trans | -97.5 | -36.6 | -174.5 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | V1475 A1491 V1516 I1517 | V1475-T1477 PolarHBondContact O-N 3.32Å; T1477-A1491 PolarHBondContact N-O 2.86Å; T1477-A1491 WeakPolarHBondContact OG1-CB 3.38Å; T1477-A1491 PolarHBondContact OG1-O 3.47Å; T1477-V1516 HydrophobicContact CG2-CG1 3.79Å; T1477-I1517 WeakPolarHBondContact CB-O 3.22Å; T1477-I1517 PolarHBondContact OG1-O 3.01Å | ||
| 1478 | A | 85.5 | Confident | 76.8 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 12% | 0.116 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 150.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A1491 L1520 | A1478-A1491 PolarHBondContact O-N 3.48Å; A1478-L1520 HydrophobicContact CB-CB 4.21Å; A1478-L1520 HydrophobicContact CB-CD1 4.45Å; A1478-L1520 HydrophobicContact CB-CG 3.98Å |
| 1479 | V | 89.6 | Confident | 79.1 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 139 | -179.8 | -160.7 | 0 | 0 | 0 | 0 | 110.4 | K1424 L1433 H1435 V1440 V1488 L1489 A1490 | K1424-V1479 PolarHBondContact NZ-O 2.73Å; L1433-V1479 HydrophobicContact CD1-CG1 4.07Å; L1433-V1479 HydrophobicContact CD2-CB 4.28Å; L1433-V1479 HydrophobicContact CD2-CG1 3.84Å; L1433-V1479 HydrophobicContact CG-CG1 4.22Å; H1435-V1479 HydrophobicContact CB-CG2 3.93Å; V1440-V1479 HydrophobicContact CG1-CG1 3.7Å; V1440-V1479 HydrophobicContact CG1-CG2 4.27Å; V1440-V1479 HydrophobicContact CG2-CG1 4.36Å; V1440-V1479 HydrophobicContact CG2-CG2 3.69Å; V1479-V1488 HydrophobicContact CG1-CG1 3.73Å; V1479-L1489 VanDerWaalsContact CA-O 3.25Å; V1479-L1489 WeakPolarHBondContact CA-O 3.5Å; V1479-L1489 WeakPolarHBondContact CG1-O 3.42Å; V1479-A1490 HydrophobicContact CG1-CB 4.36Å |
| 1480 | E | 86.8 | Confident | 81 | Confident | 45 Ų | 45 | 41.8 Ų | 41.8 | 21% | 0.21 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 160.1 | 172.1 | -64.2 | -63.6 | 177.6 | 0 | 0 | 112.1 | K1424 L1489 L1520 V1522 | K1424-E1480 IonicContact NZ-OE1 2.69Å; K1424-E1480 PolarHBondContact NZ-OE1 3.42Å; K1424-E1480 IonicContact NZ-OE2 3.64Å; K1424-E1480 PolarHBondContact NZ-OE2 3.43Å; E1480-L1489 PolarHBondContact N-O 3.03Å; E1480-L1489 PolarHBondContact O-N 3.41Å; E1480-L1520 HydrophobicContact CG-CB 4.02Å; E1480-V1522 HydrophobicContact CB-CG2 3.87Å; E1480-V1522 HydrophobicContact CG-CG2 4.34Å |
| 1481 | F | 88.3 | Confident | 82.6 | Confident | 18 Ų | 18 | 32.9 Ų | 32.9 | 8% | 0.079 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 153.8 | 161.5 | -73 | -61.4 | 0 | 0 | 0 | 111.2 | F1431 L1433 V1442 D1485 I1487 V1488 V1522 | F1431-F1481 HydrophobicContact CB-CZ 4Å; L1433-F1481 HydrophobicContact CB-CD2 4.34Å; L1433-F1481 HydrophobicContact CB-CE2 3.65Å; L1433-F1481 HydrophobicContact CB-CZ 3.77Å; L1433-F1481 HydrophobicContact CD1-CE1 4.28Å; L1433-F1481 HydrophobicContact CD1-CZ 4.26Å; L1433-F1481 HydrophobicContact CD2-CD2 4.26Å; L1433-F1481 HydrophobicContact CD2-CE2 4.35Å; L1433-F1481 HydrophobicContact CD2-CG 4.47Å; L1433-F1481 HydrophobicContact CG-CE2 4.48Å; L1433-F1481 HydrophobicContact CG-CZ 4.45Å; V1442-F1481 HydrophobicContact CG1-CE1 4.23Å; V1442-F1481 HydrophobicContact CG1-CZ 4.2Å; V1442-F1481 HydrophobicContact CG2-CE1 4.14Å; F1481-D1485 HydrophobicContact CB-CB 4.38Å; F1481-D1485 WeakPolarHBondContact CB-OD1 3.31Å; F1481-D1485 HydrophobicContact CD1-CB 4.23Å; F1481-D1485 HydrophobicContact CG-CB 4.24Å; F1481-D1485 WeakPolarHBondContact CG-OD1 3.48Å; F1481-I1487 WeakPolarHBondContact CA-O 3.29Å; F1481-V1488 HydrophobicContact CD1-CG2 3.62Å; F1481-V1488 HydrophobicContact CE1-CG2 3.7Å; F1481-V1522 WeakPolarHBondContact O-CG2 3.36Å |
| 1482 | A | 84.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 174.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1485 Q1486 I1487 L1489 V1522 L1544 | A1482-D1485 PolarHBondContact O-N 3.18Å; A1482-Q1486 PolarHBondContact O-N 2.95Å; A1482-Q1486 VanDerWaalsContact O-N 3.14Å; A1482-I1487 HydrophobicContact CB-CD1 3.97Å; A1482-I1487 HydrophobicContact CB-CG1 3.82Å; A1482-I1487 PolarHBondContact N-O 2.99Å; A1482-I1487 VanDerWaalsContact O-CG1 3.31Å; A1482-I1487 WeakPolarHBondContact O-CG1 3.47Å; A1482-I1487 PolarHBondContact O-N 3.29Å; A1482-L1489 HydrophobicContact CB-CD1 3.74Å; A1482-L1489 HydrophobicContact CB-CG 4.44Å; A1482-V1522 HydrophobicContact CB-CG1 3.76Å; A1482-V1522 HydrophobicContact CB-CG2 4.03Å; A1482-L1544 HydrophobicContact CB-CD1 3.87Å |
| 1483 | L | 81 | Confident | 84.3 | Confident | 42 Ų | 42 | 23.1 Ų | 23.1 | 22% | 0.22 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 56.1 | -177.6 | -60.3 | 172.3 | 0 | 0 | 0 | 113.4 | Q1486 I1487 E1526 L1548 | L1483-Q1486 VanDerWaalsContact O-CB 3.26Å; L1483-Q1486 WeakPolarHBondContact O-CB 3.23Å; L1483-Q1486 VanDerWaalsContact O-CG 3.26Å; L1483-Q1486 WeakPolarHBondContact O-CG 3.38Å; L1483-Q1486 PolarHBondContact O-N 2.77Å; L1483-I1487 HydrophobicContact CB-CG1 4.16Å; L1483-I1487 HydrophobicContact CD1-CD1 3.69Å; L1483-I1487 HydrophobicContact CD1-CG1 4.09Å; L1483-I1487 HydrophobicContact CG-CD1 4.05Å; L1483-I1487 HydrophobicContact CG-CG1 4.2Å; L1483-E1526 WeakPolarHBondContact CD2-O 3.45Å; L1483-E1526 PolarHBondContact N-OE2 2.93Å; L1483-L1548 HydrophobicContact CD1-CD1 3.56Å |
| 1484 | N | 79.4 | Confident | 84.5 | Confident | 81 Ų | 81 | 23.2 Ų | 23.2 | 43% | 0.433 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 48 | -175.9 | -57.2 | -21.6 | 0 | 0 | 0 | 112.3 | Y1428 H1429 Q1486 E1526 | Y1428-N1484 HydrophobicContact CD2-CB 4.11Å; Y1428-N1484 HydrophobicContact CE2-CB 4.11Å; H1429-N1484 PolarHBondContact CE1-O 2.89Å; N1484-Q1486 PolarHBondContact O-N 2.95Å; N1484-Q1486 VanDerWaalsContact O-N 3.1Å; N1484-E1526 WeakPolarHBondContact CA-OE2 3.39Å; N1484-E1526 PolarHBondContact N-OE2 3.23Å |
| 1485 | D | 82.2 | Confident | 84.6 | Confident | 5 Ų | 5 | 24.1 Ų | 24.1 | 3% | 0.027 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 17.4 | -173.5 | -54.7 | -38.8 | 0 | 0 | 0 | 115.1 | S1426 K1427 Y1428 F1481 A1482 | S1426-D1485 WeakPolarHBondContact CB-OD2 3.43Å; S1426-D1485 PolarHBondContact OG-OD2 2.77Å; K1427-D1485 PolarHBondContact N-OD2 3.02Å; Y1428-D1485 HydrophobicContact CD2-CB 4.46Å; Y1428-D1485 WeakPolarHBondContact CD2-OD2 3.34Å; Y1428-D1485 PolarHBondContact N-OD2 2.86Å; Y1428-D1485 VanDerWaalsContact N-OD2 3.09Å; F1481-D1485 HydrophobicContact CB-CB 4.38Å; F1481-D1485 WeakPolarHBondContact CB-OD1 3.31Å; F1481-D1485 HydrophobicContact CD1-CB 4.23Å; F1481-D1485 HydrophobicContact CG-CB 4.24Å; F1481-D1485 WeakPolarHBondContact CG-OD1 3.48Å; A1482-D1485 PolarHBondContact O-N 3.18Å |
| 1486 | Q | 85.1 | Confident | 84.7 | Confident | 73 Ų | 73 | 21.8 Ų | 21.8 | 34% | 0.341 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -20.8 | 178.5 | -64.9 | -179.8 | 41.8 | 0 | 0 | 113.7 | A1482 L1483 N1484 V1501 | A1482-Q1486 PolarHBondContact O-N 2.95Å; A1482-Q1486 VanDerWaalsContact O-N 3.14Å; L1483-Q1486 VanDerWaalsContact O-CB 3.26Å; L1483-Q1486 WeakPolarHBondContact O-CB 3.23Å; L1483-Q1486 VanDerWaalsContact O-CG 3.26Å; L1483-Q1486 WeakPolarHBondContact O-CG 3.38Å; L1483-Q1486 PolarHBondContact O-N 2.77Å; N1484-Q1486 PolarHBondContact O-N 2.95Å; N1484-Q1486 VanDerWaalsContact O-N 3.1Å; Q1486-V1501 WeakPolarHBondContact O-CB 3.33Å; Q1486-V1501 WeakPolarHBondContact O-CG2 3.5Å; Q1486-V1501 PolarHBondContact O-N 3.32Å |
| 1487 | I | 88.5 | Confident | 84.6 | Confident | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 150.2 | 175.7 | 61.6 | 163.8 | 0 | 0 | 0 | 112.1 | F1481 A1482 L1483 L1489 I1498 W1499 L1507 | F1481-I1487 WeakPolarHBondContact CA-O 3.29Å; A1482-I1487 HydrophobicContact CB-CD1 3.97Å; A1482-I1487 HydrophobicContact CB-CG1 3.82Å; A1482-I1487 PolarHBondContact N-O 2.99Å; A1482-I1487 VanDerWaalsContact O-CG1 3.31Å; A1482-I1487 WeakPolarHBondContact O-CG1 3.47Å; A1482-I1487 PolarHBondContact O-N 3.29Å; L1483-I1487 HydrophobicContact CB-CG1 4.16Å; L1483-I1487 HydrophobicContact CD1-CD1 3.69Å; L1483-I1487 HydrophobicContact CD1-CG1 4.09Å; L1483-I1487 HydrophobicContact CG-CD1 4.05Å; L1483-I1487 HydrophobicContact CG-CG1 4.2Å; I1487-L1489 HydrophobicContact CD1-CD2 4.09Å; I1487-L1489 HydrophobicContact CD1-CG 4.44Å; I1487-I1498 HydrophobicContact CB-CG2 4.39Å; I1487-I1498 HydrophobicContact CD1-CG2 3.84Å; I1487-W1499 CarbonylContact C-O 3.55Å; I1487-W1499 WeakPolarHBondContact CA-O 3.49Å; I1487-W1499 VanDerWaalsContact CB-O 3.32Å; I1487-W1499 WeakPolarHBondContact CB-O 3.21Å; I1487-L1507 HydrophobicContact CG2-CD1 4.16Å |
| 1488 | V | 89.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.2 | 168.7 | 168.4 | 0 | 0 | 0 | 0 | 109.6 | L1433 V1440 V1442 I1454 V1479 F1481 W1499 V1501 | L1433-V1488 HydrophobicContact CD1-CG1 4.22Å; L1433-V1488 HydrophobicContact CD1-CG2 4.04Å; V1440-V1488 HydrophobicContact CG1-CG1 4.48Å; V1442-V1488 HydrophobicContact CG2-CG2 3.8Å; I1454-V1488 HydrophobicContact CD1-CB 4.1Å; I1454-V1488 HydrophobicContact CD1-CG1 3.6Å; V1479-V1488 HydrophobicContact CG1-CG1 3.73Å; F1481-V1488 HydrophobicContact CD1-CG2 3.62Å; F1481-V1488 HydrophobicContact CE1-CG2 3.7Å; V1488-W1499 PolarHBondContact N-O 3.43Å; V1488-W1499 PolarHBondContact O-N 3.31Å; V1488-V1501 HydrophobicContact CG2-CG2 3.75Å |
| 1489 | L | 89.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.4 | 179.8 | -61.7 | 169.6 | 0 | 0 | 0 | 108.4 | V1479 E1480 A1482 I1487 I1496 L1497 I1498 L1520 V1522 L1529 L1544 | V1479-L1489 VanDerWaalsContact CA-O 3.25Å; V1479-L1489 WeakPolarHBondContact CA-O 3.5Å; V1479-L1489 WeakPolarHBondContact CG1-O 3.42Å; E1480-L1489 PolarHBondContact N-O 3.03Å; E1480-L1489 PolarHBondContact O-N 3.41Å; A1482-L1489 HydrophobicContact CB-CD1 3.74Å; A1482-L1489 HydrophobicContact CB-CG 4.44Å; I1487-L1489 HydrophobicContact CD1-CD2 4.09Å; I1487-L1489 HydrophobicContact CD1-CG 4.44Å; L1489-I1496 HydrophobicContact CB-CG2 4.47Å; L1489-L1497 WeakPolarHBondContact CA-O 3.27Å; L1489-I1498 HydrophobicContact CD2-CB 4.17Å; L1489-I1498 HydrophobicContact CD2-CD1 3.94Å; L1489-I1498 HydrophobicContact CD2-CG1 3.66Å; L1489-I1498 HydrophobicContact CD2-CG2 3.97Å; L1489-L1520 HydrophobicContact CB-CD1 4.33Å; L1489-V1522 HydrophobicContact CD1-CG2 3.63Å; L1489-L1529 HydrophobicContact CD1-CD1 3.84Å; L1489-L1529 HydrophobicContact CD1-CD2 4Å; L1489-L1529 HydrophobicContact CD1-CG 4.38Å; L1489-L1529 HydrophobicContact CD2-CD2 4.31Å; L1489-L1544 HydrophobicContact CD1-CD1 4.01Å; L1489-L1544 HydrophobicContact CD1-CD2 4.31Å; L1489-L1544 HydrophobicContact CD2-CD2 3.98Å |
| 1490 | A | 89.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 122 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1476 V1479 L1497 | F1476-A1490 HydrophobicContact CD1-CB 3.83Å; F1476-A1490 HydrophobicContact CE1-CB 3.7Å; V1479-A1490 HydrophobicContact CG1-CB 4.36Å; A1490-L1497 PolarHBondContact N-O 3.32Å; A1490-L1497 PolarHBondContact O-N 3.45Å |
| 1491 | A | 88 | Confident | 84.6 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 136.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1476 T1477 A1478 N1495 I1496 I1517 L1520 | F1476-A1491 WeakPolarHBondContact CA-O 3.43Å; T1477-A1491 PolarHBondContact N-O 2.86Å; T1477-A1491 WeakPolarHBondContact OG1-CB 3.38Å; T1477-A1491 PolarHBondContact OG1-O 3.47Å; A1478-A1491 PolarHBondContact O-N 3.48Å; A1491-N1495 WeakPolarHBondContact CA-O 3.3Å; A1491-I1496 HydrophobicContact CB-CG1 4.33Å; A1491-I1517 HydrophobicContact CB-CB 4.27Å; A1491-I1517 HydrophobicContact CB-CG2 4.04Å; A1491-L1520 HydrophobicContact CB-CD1 4.07Å; A1491-L1520 HydrophobicContact CB-CG 4.27Å |
| 1492 | I | 85.7 | Confident | 84.3 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 118.4 | 168.2 | -51.2 | 178.9 | 0 | 0 | 0 | 108.3 | R1456 I1460 L1474 F1476 R1494 N1495 L1497 | R1456-I1492 HydrophobicContact CB-CD1 4.11Å; R1456-I1492 HydrophobicContact CG-CD1 3.87Å; I1460-I1492 HydrophobicContact CD1-CB 4.49Å; I1460-I1492 HydrophobicContact CD1-CD1 4.35Å; I1460-I1492 HydrophobicContact CG2-CG2 4.16Å; L1474-I1492 HydrophobicContact CB-CG2 4.09Å; F1476-I1492 HydrophobicContact CD1-CD1 3.91Å; F1476-I1492 HydrophobicContact CD1-CG1 3.55Å; F1476-I1492 HydrophobicContact CE1-CD1 3.55Å; F1476-I1492 HydrophobicContact CE1-CG1 3.66Å; F1476-I1492 HydrophobicContact CG-CG1 4.28Å; F1476-I1492 HydrophobicContact CZ-CD1 3.89Å; F1476-I1492 HydrophobicContact CZ-CG1 4.45Å; I1492-R1494 PolarHBondContact O-N 3.15Å; I1492-N1495 PolarHBondContact N-O 3.14Å; I1492-N1495 WeakPolarHBondContact O-CB 3.45Å; I1492-N1495 PolarHBondContact O-N 3.46Å; I1492-L1497 HydrophobicContact CD1-CD1 4.18Å |
| 1493 | F | 75.8 | Confident | 84.1 | Confident | 21 Ų | 21 | 31.7 Ų | 31.7 | 9% | 0.092 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -118.7 | -178.5 | -168.6 | -116.2 | 0 | 0 | 0 | 112.3 | F1464 L1466 L1474 I1514 G1515 V1516 I1517 | F1464-F1493 HydrophobicContact CD1-CE1 4.45Å; F1464-F1493 AromaticContact CD1-CE2 3.66Å; F1464-F1493 HydrophobicContact CD1-CE2 3.66Å; F1464-F1493 AromaticContact CD1-CZ 3.62Å; F1464-F1493 HydrophobicContact CD1-CZ 3.62Å; F1464-F1493 HydrophobicContact CE1-CE1 4.32Å; F1464-F1493 AromaticContact CE1-CE2 3.94Å; F1464-F1493 HydrophobicContact CE1-CE2 3.94Å; F1464-F1493 AromaticContact CE1-CZ 3.47Å; F1464-F1493 HydrophobicContact CE1-CZ 3.47Å; F1464-F1493 VanDerWaalsContact CE1-CZ 3.47Å; F1464-F1493 HydrophobicContact CE2-CE1 4.5Å; F1464-F1493 HydrophobicContact CE2-CZ 4.4Å; F1464-F1493 HydrophobicContact CG-CE2 4.26Å; F1464-F1493 HydrophobicContact CG-CZ 4.17Å; F1464-F1493 HydrophobicContact CZ-CE1 4.34Å; F1464-F1493 AromaticContact CZ-CZ 3.89Å; F1464-F1493 HydrophobicContact CZ-CZ 3.89Å; L1466-F1493 HydrophobicContact CD2-CE2 4.18Å; L1466-F1493 HydrophobicContact CD2-CZ 4.32Å; L1466-F1493 HydrophobicContact CG-CE2 4.42Å; L1474-F1493 HydrophobicContact CD1-CB 4.27Å; L1474-F1493 HydrophobicContact CD2-CB 4.04Å; L1474-F1493 HydrophobicContact CD2-CD2 4.1Å; L1474-F1493 HydrophobicContact CD2-CG 4.27Å; F1493-I1514 HydrophobicContact CZ-CG2 4.16Å; F1493-G1515 CarbonylContact C-O 3.58Å; F1493-G1515 VanDerWaalsContact C-O 3.26Å; F1493-V1516 HydrophobicContact CD2-CG2 3.98Å; F1493-V1516 HydrophobicContact CE2-CG2 4.24Å; F1493-I1517 WeakPolarHBondContact O-CG1 3.07Å; F1493-I1517 PolarHBondContact O-N 3.22Å |
| 1494 | R | 75.1 | Confident | 83.9 | Confident | 70 Ų | 70 | 31.3 Ų | 31.3 | 26% | 0.264 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 2.8 | 176.1 | 79.8 | 177.8 | -179.7 | 161.4 | -3.1 | 114.4 | I1492 T1511 S1512 G1515 D1572 | I1492-R1494 PolarHBondContact O-N 3.15Å; R1494-T1511 CarbonylContact O-C 3.59Å; R1494-T1511 WeakPolarHBondContact O-CA 3.42Å; R1494-S1512 WeakPolarHBondContact CA-OG 3.45Å; R1494-S1512 WeakPolarHBondContact CB-OG 3.3Å; R1494-S1512 PolarHBondContact O-N 3.5Å; R1494-S1512 PolarHBondContact O-OG 2.95Å; R1494-G1515 PolarHBondContact N-O 2.86Å; R1494-D1572 IonicContact CZ-OD1 2.67Å; R1494-D1572 IonicContact NH1-OD1 2.71Å; R1494-D1572 PolarHBondContact NH1-OD1 2.78Å; R1494-D1572 IonicContact NH2-OD1 3.18Å; R1494-D1572 PolarHBondContact NH2-OD1 3.12Å |
| 1495 | N | 78.8 | Confident | 83.9 | Confident | 32 Ų | 32 | 31.1 Ų | 31.1 | 17% | 0.171 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 139.9 | -171.2 | -62 | -7.5 | 0 | 0 | 0 | 111.1 | I1460 A1491 I1492 T1509 L1510 | I1460-N1495 HydrophobicContact CD1-CB 4.49Å; A1491-N1495 WeakPolarHBondContact CA-O 3.3Å; I1492-N1495 PolarHBondContact N-O 3.14Å; I1492-N1495 WeakPolarHBondContact O-CB 3.45Å; I1492-N1495 PolarHBondContact O-N 3.46Å; N1495-T1509 HydrophobicContact CB-CG2 4.02Å; N1495-L1510 CarbonylContact C-O 3.56Å; N1495-L1510 WeakPolarHBondContact CA-O 3.39Å |
| 1496 | I | 84.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.4 | 167.2 | -59.7 | 156.9 | 0 | 0 | 0 | 107.9 | L1489 A1491 T1509 L1510 I1517 L1520 L1529 W1542 | L1489-I1496 HydrophobicContact CB-CG2 4.47Å; A1491-I1496 HydrophobicContact CB-CG1 4.33Å; I1496-T1509 CarbonylContact O-C 3.52Å; I1496-T1509 WeakPolarHBondContact O-CA 3.36Å; I1496-L1510 HydrophobicContact CB-CB 4.3Å; I1496-L1510 PolarHBondContact N-O 3.46Å; I1496-L1510 PolarHBondContact O-N 3.29Å; I1496-I1517 HydrophobicContact CD1-CD1 3.92Å; I1496-I1517 HydrophobicContact CG1-CD1 3.75Å; I1496-L1520 HydrophobicContact CD1-CD2 3.81Å; I1496-L1520 HydrophobicContact CG1-CD2 4.13Å; I1496-L1520 HydrophobicContact CG2-CD1 4.46Å; I1496-L1529 HydrophobicContact CD1-CD2 3.92Å; I1496-L1529 HydrophobicContact CG2-CD2 4.04Å; I1496-W1542 HydrophobicContact CD1-CD2 4.49Å; I1496-W1542 HydrophobicContact CD1-CE3 3.97Å; I1496-W1542 HydrophobicContact CD1-CH2 3.4Å; I1496-W1542 HydrophobicContact CD1-CZ2 4Å; I1496-W1542 HydrophobicContact CD1-CZ3 3.38Å |
| 1497 | L | 86.6 | Confident | 83.5 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 132.1 | 175.9 | -48.1 | 178.3 | 0 | 0 | 0 | 108.9 | P1457 F1476 L1489 A1490 I1492 T1509 | P1457-L1497 HydrophobicContact CG-CD1 3.69Å; P1457-L1497 HydrophobicContact CG-CD2 3.98Å; F1476-L1497 HydrophobicContact CE1-CD1 4.2Å; L1489-L1497 WeakPolarHBondContact CA-O 3.27Å; A1490-L1497 PolarHBondContact N-O 3.32Å; A1490-L1497 PolarHBondContact O-N 3.45Å; I1492-L1497 HydrophobicContact CD1-CD1 4.18Å; L1497-T1509 HydrophobicContact CD2-CG2 4.13Å |
| 1498 | I | 87 | Confident | 83 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.2 | 174.8 | -49.7 | -164.8 | 0 | 0 | 0 | 108.6 | I1487 L1489 Q1506 L1507 T1508 L1510 L1544 A1547 L1548 | I1487-I1498 HydrophobicContact CB-CG2 4.39Å; I1487-I1498 HydrophobicContact CD1-CG2 3.84Å; L1489-I1498 HydrophobicContact CD2-CB 4.17Å; L1489-I1498 HydrophobicContact CD2-CD1 3.94Å; L1489-I1498 HydrophobicContact CD2-CG1 3.66Å; L1489-I1498 HydrophobicContact CD2-CG2 3.97Å; I1498-Q1506 CarbonylContact O-C 3.39Å; I1498-Q1506 WeakPolarHBondContact O-CA 3.26Å; I1498-L1507 HydrophobicContact CG2-CD1 4.47Å; I1498-L1507 PolarHBondContact O-N 2.96Å; I1498-T1508 HydrophobicContact CB-CG2 3.96Å; I1498-T1508 HydrophobicContact CD1-CG2 3.66Å; I1498-T1508 HydrophobicContact CG1-CG2 3.87Å; I1498-T1508 PolarHBondContact N-O 3.29Å; I1498-L1510 HydrophobicContact CD1-CD1 4Å; I1498-L1510 HydrophobicContact CD1-CG 4.24Å; I1498-L1544 HydrophobicContact CD1-CD2 3.91Å; I1498-A1547 HydrophobicContact CD1-CB 4.5Å; I1498-L1548 HydrophobicContact CG2-CD2 4.29Å |
| 1499 | W | 87.4 | Confident | 82.3 | Confident | 35 Ų | 35 | 35.8 Ų | 35.8 | 13% | 0.133 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138.4 | -177.6 | -73.8 | 69.4 | 0 | 0 | 0 | 111.3 | I1454 I1487 V1488 G1504 V1505 Q1506 | I1454-W1499 HydrophobicContact CD1-CB 3.93Å; I1454-W1499 HydrophobicContact CD1-CD2 4.13Å; I1454-W1499 HydrophobicContact CD1-CG 3.76Å; I1454-W1499 HydrophobicContact CG1-CD2 3.97Å; I1454-W1499 HydrophobicContact CG1-CE3 4.18Å; I1454-W1499 HydrophobicContact CG1-CG 4.16Å; I1454-W1499 HydrophobicContact CG2-CD2 4.09Å; I1454-W1499 HydrophobicContact CG2-CG 4.43Å; I1454-W1499 HydrophobicContact CG2-CZ2 3.83Å; I1487-W1499 CarbonylContact C-O 3.55Å; I1487-W1499 WeakPolarHBondContact CA-O 3.49Å; I1487-W1499 VanDerWaalsContact CB-O 3.32Å; I1487-W1499 WeakPolarHBondContact CB-O 3.21Å; V1488-W1499 PolarHBondContact N-O 3.43Å; V1488-W1499 PolarHBondContact O-N 3.31Å; W1499-G1504 WeakPolarHBondContact CZ3-O 2.83Å; W1499-V1505 WeakPolarHBondContact CA-O 3.38Å; W1499-Q1506 HydrophobicContact CD2-CB 3.96Å; W1499-Q1506 HydrophobicContact CG-CB 4.37Å; W1499-Q1506 HydrophobicContact CH2-CB 4.39Å; W1499-Q1506 HydrophobicContact CZ2-CB 3.82Å; W1499-Q1506 HydrophobicContact CZ2-CG 4.46Å |
| 1500 | D | 86.7 | Confident | 81.6 | Confident | 13 Ų | 13 | 36.1 Ų | 36.1 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 130.2 | 171.6 | -175.1 | -66.6 | 0 | 0 | 0 | 110.6 | R1502 L1503 G1504 V1505 L1507 | D1500-R1502 VanDerWaalsContact C-N 3.35Å; D1500-R1502 PolarHBondContact O-N 3.44Å; D1500-R1502 WeakPolarHBondContact OD1-CA 3.26Å; D1500-R1502 WeakPolarHBondContact OD1-CB 3.2Å; D1500-R1502 PolarHBondContact OD1-N 2.88Å; D1500-R1502 IonicContact OD1-NE 3.86Å; D1500-R1502 IonicContact OD2-NH2 2.62Å; D1500-R1502 PolarHBondContact OD2-NH2 3.44Å; D1500-L1503 HydrophobicContact CB-CB 4.09Å; D1500-L1503 HydrophobicContact CB-CD1 4.3Å; D1500-L1503 HydrophobicContact CB-CG 4.32Å; D1500-L1503 PolarHBondContact OD1-N 3.23Å; D1500-G1504 WeakPolarHBondContact O-CA 3.44Å; D1500-G1504 PolarHBondContact O-N 2.94Å; D1500-V1505 PolarHBondContact N-O 3Å; D1500-L1507 HydrophobicContact CB-CD1 4.09Å; D1500-L1507 HydrophobicContact CB-CD2 4.14Å; D1500-L1507 HydrophobicContact CB-CG 4.17Å |
| 1501 | V | 85.4 | Confident | 80.6 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -24.7 | -175.1 | 176.6 | 0 | 0 | 0 | 0 | 112.9 | F1431 V1442 V1452 Q1486 V1488 | F1431-V1501 HydrophobicContact CE2-CG1 4.13Å; V1442-V1501 HydrophobicContact CG1-CG1 4.3Å; V1452-V1501 VanDerWaalsContact CG2-O 3.23Å; V1452-V1501 WeakPolarHBondContact CG2-O 3.02Å; Q1486-V1501 WeakPolarHBondContact O-CB 3.33Å; Q1486-V1501 WeakPolarHBondContact O-CG2 3.5Å; Q1486-V1501 PolarHBondContact O-N 3.32Å; V1488-V1501 HydrophobicContact CG2-CG2 3.75Å |
| 1502 | R | 82.2 | Confident | 79.6 | Confident | 158 Ų | 158 | 39 Ų | 39 | 60% | 0.596 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -34.4 | -179.9 | -57.2 | 169.2 | -64.1 | -148 | -11.7 | 112.4 | D1500 | D1500-R1502 VanDerWaalsContact C-N 3.35Å; D1500-R1502 PolarHBondContact O-N 3.44Å; D1500-R1502 WeakPolarHBondContact OD1-CA 3.26Å; D1500-R1502 WeakPolarHBondContact OD1-CB 3.2Å; D1500-R1502 PolarHBondContact OD1-N 2.88Å; D1500-R1502 IonicContact OD1-NE 3.86Å; D1500-R1502 IonicContact OD2-NH2 2.62Å; D1500-R1502 PolarHBondContact OD2-NH2 3.44Å |
| 1503 | L | 78.5 | Confident | 78.5 | Confident | 120 Ų | 120 | 40.4 Ų | 40.4 | 63% | 0.628 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -25.7 | 179.6 | -59.2 | 176.8 | 0 | 0 | 0 | 112.6 | D1500 V1505 | D1500-L1503 HydrophobicContact CB-CB 4.09Å; D1500-L1503 HydrophobicContact CB-CD1 4.3Å; D1500-L1503 HydrophobicContact CB-CG 4.32Å; D1500-L1503 PolarHBondContact OD1-N 3.23Å; L1503-V1505 VanDerWaalsContact C-N 3.27Å; L1503-V1505 HydrophobicContact CB-CB 4.42Å; L1503-V1505 HydrophobicContact CB-CG2 4.42Å; L1503-V1505 PolarHBondContact O-N 3.4Å |
| 1504 | G | 76.3 | Confident | 78.1 | Confident | 34 Ų | 34 | 40.9 Ų | 40.9 | 35% | 0.351 | 22% | 0.215 | S | C | . | . | trans | 67.6 | 26 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | W1499 D1500 | W1499-G1504 WeakPolarHBondContact CZ3-O 2.83Å; D1500-G1504 WeakPolarHBondContact O-CA 3.44Å; D1500-G1504 PolarHBondContact O-N 2.94Å | ||
| 1505 | V | 80.9 | Confident | 77.5 | Confident | 78 Ų | 78 | 37.6 Ų | 37.6 | 47% | 0.473 | 20% | 0.202 | S | C | . | . | trans | -121.9 | 139.9 | -174 | 176.4 | 0 | 0 | 0 | 0 | 111 | W1499 D1500 L1503 L1507 | W1499-V1505 WeakPolarHBondContact CA-O 3.38Å; D1500-V1505 PolarHBondContact N-O 3Å; L1503-V1505 VanDerWaalsContact C-N 3.27Å; L1503-V1505 HydrophobicContact CB-CB 4.42Å; L1503-V1505 HydrophobicContact CB-CG2 4.42Å; L1503-V1505 PolarHBondContact O-N 3.4Å; V1505-L1507 PolarHBondContact O-N 2.92Å | ||
| 1506 | Q | 78.8 | Confident | 77.3 | Confident | 55 Ų | 55 | 37.3 Ų | 37.3 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 115.7 | 169.7 | -169.9 | 178.2 | -38.7 | 0 | 0 | 110.5 | I1498 W1499 T1509 | I1498-Q1506 CarbonylContact O-C 3.39Å; I1498-Q1506 WeakPolarHBondContact O-CA 3.26Å; W1499-Q1506 HydrophobicContact CD2-CB 3.96Å; W1499-Q1506 HydrophobicContact CG-CB 4.37Å; W1499-Q1506 HydrophobicContact CH2-CB 4.39Å; W1499-Q1506 HydrophobicContact CZ2-CB 3.82Å; W1499-Q1506 HydrophobicContact CZ2-CG 4.46Å; Q1506-T1509 PolarHBondContact NE2-OG1 3.43Å |
| 1507 | L | 80 | Confident | 77.1 | Confident | 40 Ų | 40 | 37.3 Ų | 37.3 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | -43.8 | 179.2 | -60.3 | -179.2 | 0 | 0 | 0 | 111.9 | I1487 I1498 D1500 V1505 L1548 | I1487-L1507 HydrophobicContact CG2-CD1 4.16Å; I1498-L1507 HydrophobicContact CG2-CD1 4.47Å; I1498-L1507 PolarHBondContact O-N 2.96Å; D1500-L1507 HydrophobicContact CB-CD1 4.09Å; D1500-L1507 HydrophobicContact CB-CD2 4.14Å; D1500-L1507 HydrophobicContact CB-CG 4.17Å; V1505-L1507 PolarHBondContact O-N 2.92Å; L1507-L1548 HydrophobicContact CB-CD2 4.01Å; L1507-L1548 HydrophobicContact CD1-CD2 3.6Å; L1507-L1548 HydrophobicContact CG-CD2 4.48Å |
| 1508 | T | 76.9 | Confident | 76.8 | Confident | 31 Ų | 31 | 39 Ų | 39 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 174.5 | -177 | -167.6 | 0 | 0 | 0 | 0 | 112.5 | I1498 A1551 | I1498-T1508 HydrophobicContact CB-CG2 3.96Å; I1498-T1508 HydrophobicContact CD1-CG2 3.66Å; I1498-T1508 HydrophobicContact CG1-CG2 3.87Å; I1498-T1508 PolarHBondContact N-O 3.29Å; T1508-A1551 HydrophobicContact CG2-CB 4.27Å |
| 1509 | T | 75 | Confident | 76.5 | Confident | 55 Ų | 55 | 44.2 Ų | 44.2 | 34% | 0.337 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128 | 172.2 | -53.7 | 0 | 0 | 0 | 0 | 109.4 | N1495 I1496 L1497 Q1506 | N1495-T1509 HydrophobicContact CB-CG2 4.02Å; I1496-T1509 CarbonylContact O-C 3.52Å; I1496-T1509 WeakPolarHBondContact O-CA 3.36Å; L1497-T1509 HydrophobicContact CD2-CG2 4.13Å; Q1506-T1509 PolarHBondContact NE2-OG1 3.43Å |
| 1510 | L | 74.9 | Confident | 76.4 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 4% | 0.042 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 144 | 166.8 | -64.2 | 172.4 | 0 | 0 | 0 | 109.8 | P1084 N1495 I1496 I1498 L1529 W1542 A1547 | P1084-L1510 HydrophobicContact CB-CD2 4.03Å; P1084-L1510 HydrophobicContact CG-CD2 3.94Å; N1495-L1510 CarbonylContact C-O 3.56Å; N1495-L1510 WeakPolarHBondContact CA-O 3.39Å; I1496-L1510 HydrophobicContact CB-CB 4.3Å; I1496-L1510 PolarHBondContact N-O 3.46Å; I1496-L1510 PolarHBondContact O-N 3.29Å; I1498-L1510 HydrophobicContact CD1-CD1 4Å; I1498-L1510 HydrophobicContact CD1-CG 4.24Å; L1510-L1529 HydrophobicContact CD1-CD2 4.44Å; L1510-W1542 HydrophobicContact CD1-CB 4.03Å; L1510-W1542 HydrophobicContact CD1-CD2 4.28Å; L1510-W1542 HydrophobicContact CD1-CG 3.83Å; L1510-A1547 HydrophobicContact CD2-CB 3.9Å |
| 1511 | T | 69.1 | Low | 76.2 | Confident | 55 Ų | 55 | 43.7 Ų | 43.7 | 34% | 0.337 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 147.4 | 178.5 | 55.9 | 0 | 0 | 0 | 0 | 111.6 | R1494 R1570 | R1494-T1511 CarbonylContact O-C 3.59Å; R1494-T1511 WeakPolarHBondContact O-CA 3.42Å; T1511-R1570 PolarHBondContact O-NH1 3.17Å |
| 1512 | S | 66.3 | Low | 76 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | trans | -113.3 | -179.7 | 171.3 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | R1494 I1533 | R1494-S1512 WeakPolarHBondContact CA-OG 3.45Å; R1494-S1512 WeakPolarHBondContact CB-OG 3.3Å; R1494-S1512 PolarHBondContact O-N 3.5Å; R1494-S1512 PolarHBondContact O-OG 2.95Å; S1512-I1533 WeakPolarHBondContact OG-CD1 3.22Å | ||
| 1513 | S | 63.7 | Low | 75.5 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 22% | 0.217 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -60.5 | 164.4 | 162.5 | 44.4 | 0 | 0 | 0 | 0 | 111.6 | G1515 | S1513-G1515 PolarHBondContact O-N 3.29Š|
| 1514 | I | 65.7 | Low | 74.9 | Confident | 32 Ų | 32 | 32.6 Ų | 32.6 | 16% | 0.164 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -62.1 | 121 | -176.5 | -59.6 | -175.1 | 0 | 0 | 0 | 110.5 | L1466 F1493 C1573 T1575 L1610 | L1466-I1514 HydrophobicContact CD2-CG2 4.4Å; F1493-I1514 HydrophobicContact CZ-CG2 4.16Å; I1514-C1573 WeakPolarHBondContact CD1-O 3.38Å; I1514-T1575 HydrophobicContact CG2-CG2 4.18Å; I1514-L1610 HydrophobicContact CD1-CD2 4.49Å |
| 1515 | G | 64.1 | Low | 74.4 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 160.5 | 179.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1493 R1494 S1513 | F1493-G1515 CarbonylContact C-O 3.58Å; F1493-G1515 VanDerWaalsContact C-O 3.26Å; R1494-G1515 PolarHBondContact N-O 2.86Å; S1513-G1515 PolarHBondContact O-N 3.29Å |
| 1516 | V | 73.5 | Confident | 73.9 | Confident | 26 Ų | 26 | 29.8 Ų | 29.8 | 16% | 0.158 | 17% | 0.165 | C | C | . | . | trans | -101.1 | 114.7 | 177.5 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | L1466 T1477 F1493 S1518 I1533 | L1466-V1516 HydrophobicContact CD1-CG2 4.13Å; T1477-V1516 HydrophobicContact CG2-CG1 3.79Å; F1493-V1516 HydrophobicContact CD2-CG2 3.98Å; F1493-V1516 HydrophobicContact CE2-CG2 4.24Å; V1516-S1518 PolarHBondContact O-N 3.32Å; V1516-I1533 WeakPolarHBondContact O-CA 3.44Å | ||
| 1517 | I | 81 | Confident | 73.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 113.5 | 168.3 | -61.2 | 169 | 0 | 0 | 0 | 107.4 | T1477 A1491 F1493 I1496 L1520 I1533 W1542 | T1477-I1517 WeakPolarHBondContact CB-O 3.22Å; T1477-I1517 PolarHBondContact OG1-O 3.01Å; A1491-I1517 HydrophobicContact CB-CB 4.27Å; A1491-I1517 HydrophobicContact CB-CG2 4.04Å; F1493-I1517 WeakPolarHBondContact O-CG1 3.07Å; F1493-I1517 PolarHBondContact O-N 3.22Å; I1496-I1517 HydrophobicContact CD1-CD1 3.92Å; I1496-I1517 HydrophobicContact CG1-CD1 3.75Å; I1517-L1520 HydrophobicContact CG2-CD2 3.78Å; I1517-L1520 HydrophobicContact CG2-CG 4.49Å; I1517-I1533 HydrophobicContact CG1-CG1 4.07Å; I1517-W1542 HydrophobicContact CD1-CH2 4.21Å |
| 1518 | S | 79.5 | Confident | 73.4 | Confident | 38 Ų | 38 | 32.9 Ų | 32.9 | 27% | 0.266 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -19.8 | -165.5 | 65.1 | 0 | 0 | 0 | 0 | 114.3 | V1516 Y1532 | V1516-S1518 PolarHBondContact O-N 3.32Å; S1518-Y1532 PolarHBondContact N-O 3.16Å; S1518-Y1532 VanDerWaalsContact OG-CD1 3.25Å; S1518-Y1532 WeakPolarHBondContact OG-CD1 3.4Å; S1518-Y1532 PolarHBondContact OG-O 3.39Å |
| 1519 | R | 79.9 | Confident | 73.6 | Confident | 108 Ų | 108 | 31.4 Ų | 31.4 | 41% | 0.408 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 147.2 | 169.9 | -64.8 | -174.9 | -179.9 | 166.9 | 1.1 | 108.7 | L1096 G1531 Y1532 | L1096-R1519 PolarHBondContact O-NH1 3.3Å; L1096-R1519 PolarHBondContact O-NH2 3.43Å; R1519-G1531 WeakPolarHBondContact O-CA 3.28Å; R1519-Y1532 PolarHBondContact O-N 3.31Å |
| 1520 | L | 85.7 | Confident | 73.8 | Confident | 12 Ų | 12 | 29 Ų | 29 | 6% | 0.063 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 154.7 | 162.5 | -66.8 | -179.3 | 0 | 0 | 0 | 108.7 | A1478 E1480 L1489 A1491 I1496 I1517 L1529 I1530 | A1478-L1520 HydrophobicContact CB-CB 4.21Å; A1478-L1520 HydrophobicContact CB-CD1 4.45Å; A1478-L1520 HydrophobicContact CB-CG 3.98Å; E1480-L1520 HydrophobicContact CG-CB 4.02Å; L1489-L1520 HydrophobicContact CB-CD1 4.33Å; A1491-L1520 HydrophobicContact CB-CD1 4.07Å; A1491-L1520 HydrophobicContact CB-CG 4.27Å; I1496-L1520 HydrophobicContact CD1-CD2 3.81Å; I1496-L1520 HydrophobicContact CG1-CD2 4.13Å; I1496-L1520 HydrophobicContact CG2-CD1 4.46Å; I1517-L1520 HydrophobicContact CG2-CD2 3.78Å; I1517-L1520 HydrophobicContact CG2-CG 4.49Å; L1520-L1529 HydrophobicContact CB-CD1 4.24Å; L1520-L1529 HydrophobicContact CD2-CD1 4.11Å; L1520-I1530 CarbonylContact C-O 3.49Å; L1520-I1530 VanDerWaalsContact CA-O 3.3Å; L1520-I1530 WeakPolarHBondContact CA-O 3.28Å |
| 1521 | L | 82.7 | Confident | 74.1 | Confident | 25 Ų | 25 | 28.6 Ų | 28.6 | 13% | 0.131 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 140.1 | 164.2 | 176.5 | 141 | 0 | 0 | 0 | 109.2 | L1098 I1114 L1529 I1530 | L1098-L1521 HydrophobicContact CD2-CB 3.64Å; L1098-L1521 HydrophobicContact CD2-CD1 3.92Å; L1098-L1521 HydrophobicContact CD2-CD2 4.26Å; L1098-L1521 HydrophobicContact CD2-CG 4.15Å; L1098-L1521 HydrophobicContact CG-CD1 4.03Å; I1114-L1521 HydrophobicContact CD1-CD2 3.8Å; I1114-L1521 HydrophobicContact CG1-CD2 4.48Å; L1521-L1529 WeakPolarHBondContact O-CD1 3.11Å; L1521-I1530 PolarHBondContact N-O 3.12Å; L1521-I1530 PolarHBondContact O-N 3.33Å |
| 1522 | V | 80.9 | Confident | 74.6 | Confident | 18 Ų | 18 | 26.5 Ų | 26.5 | 11% | 0.109 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 142.1 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 109 | N1100 E1480 F1481 A1482 L1489 E1526 L1529 | N1100-V1522 PolarHBondContact ND2-O 2.75Å; E1480-V1522 HydrophobicContact CB-CG2 3.87Å; E1480-V1522 HydrophobicContact CG-CG2 4.34Å; F1481-V1522 WeakPolarHBondContact O-CG2 3.36Å; A1482-V1522 HydrophobicContact CB-CG1 3.76Å; A1482-V1522 HydrophobicContact CB-CG2 4.03Å; L1489-V1522 HydrophobicContact CD1-CG2 3.63Å; V1522-E1526 HydrophobicContact CG1-CB 3.98Å; V1522-E1526 HydrophobicContact CG1-CG 4.17Å; V1522-L1529 HydrophobicContact CG2-CD1 3.96Å |
| 1523 | D | 73.4 | Confident | 75.2 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | trans | -74.9 | 178.9 | -179.7 | 91.5 | -63.7 | 0 | 0 | 0 | 113.1 | I1114 C1129 S1525 E1526 R1527 Q1528 | I1114-D1523 HydrophobicContact CD1-CB 4.34Å; C1129-D1523 HydrophobicContact CB-CB 4.19Å; D1523-S1525 VanDerWaalsContact CG-OG 3.26Å; D1523-S1525 PolarHBondContact OD1-OG 3.08Å; D1523-S1525 WeakPolarHBondContact OD2-CA 3.49Å; D1523-S1525 VanDerWaalsContact OD2-CB 3.27Å; D1523-S1525 WeakPolarHBondContact OD2-CB 3.39Å; D1523-S1525 PolarHBondContact OD2-N 3.1Å; D1523-S1525 PolarHBondContact OD2-OG 3.24Å; D1523-E1526 PolarHBondContact O-N 3.16Å; D1523-E1526 WeakPolarHBondContact OD1-CA 3.38Å; D1523-E1526 PolarHBondContact OD1-N 2.8Å; D1523-R1527 PolarHBondContact OD1-N 3.13Å; D1523-Q1528 HydrophobicContact CB-CB 4.04Å; D1523-Q1528 PolarHBondContact N-O 3.36Å; D1523-Q1528 VanDerWaalsContact N-O 3.07Å; D1523-Q1528 PolarHBondContact OD1-N 3.19Å | ||
| 1524 | L | 65.2 | Low | 75.5 | Confident | 34 Ų | 34 | 27.4 Ų | 27.4 | 18% | 0.178 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -79.3 | -22.5 | -179.5 | -79.4 | 169.2 | 0 | 0 | 0 | 114.9 | N1100 L1101 N1102 | N1100-L1524 WeakPolarHBondContact OD1-CD1 3.43Å; N1100-L1524 WeakPolarHBondContact OD1-CG 3.25Å; L1101-L1524 WeakPolarHBondContact O-CD1 3.21Å; N1102-L1524 HydrophobicContact CB-CD1 4.26Å; N1102-L1524 HydrophobicContact CB-CD2 4.09Å; N1102-L1524 WeakPolarHBondContact OD1-CD2 3.44Å |
| 1525 | S | 64.7 | Low | 75.4 | Confident | 50 Ų | 50 | 29.9 Ų | 29.9 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -76.9 | -11.8 | 167.6 | 74.3 | 0 | 0 | 0 | 0 | 112.5 | D1523 R1527 | D1523-S1525 VanDerWaalsContact CG-OG 3.26Å; D1523-S1525 PolarHBondContact OD1-OG 3.08Å; D1523-S1525 WeakPolarHBondContact OD2-CA 3.49Å; D1523-S1525 VanDerWaalsContact OD2-CB 3.27Å; D1523-S1525 WeakPolarHBondContact OD2-CB 3.39Å; D1523-S1525 PolarHBondContact OD2-N 3.1Å; D1523-S1525 PolarHBondContact OD2-OG 3.24Å; S1525-R1527 PolarHBondContact O-N 3.3Å; S1525-R1527 WeakPolarHBondContact OG-CB 3.12Å; S1525-R1527 PolarHBondContact OG-N 3.16Å |
| 1526 | E | 70.8 | Confident | 75.4 | Confident | 3 Ų | 3 | 32.1 Ų | 32.1 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 56.6 | 24.3 | -172.4 | -50.2 | -170.6 | -174.5 | 0 | 0 | 114.1 | K1427 Y1428 L1483 N1484 V1522 D1523 | K1427-E1526 IonicContact NZ-OE1 3.79Å; K1427-E1526 PolarHBondContact NZ-OE1 3.03Å; Y1428-E1526 WeakPolarHBondContact CE2-OE1 3.44Å; Y1428-E1526 PolarHBondContact OH-OE1 3.1Å; L1483-E1526 WeakPolarHBondContact CD2-O 3.45Å; L1483-E1526 PolarHBondContact N-OE2 2.93Å; N1484-E1526 WeakPolarHBondContact CA-OE2 3.39Å; N1484-E1526 PolarHBondContact N-OE2 3.23Å; V1522-E1526 HydrophobicContact CG1-CB 3.98Å; V1522-E1526 HydrophobicContact CG1-CG 4.17Å; D1523-E1526 PolarHBondContact O-N 3.16Å; D1523-E1526 WeakPolarHBondContact OD1-CA 3.38Å; D1523-E1526 PolarHBondContact OD1-N 2.8Å |
| 1527 | R | 72.7 | Confident | 75.3 | Confident | 152 Ų | 152 | 34.7 Ų | 34.7 | 57% | 0.574 | 18% | 0.179 | S | C | * | . | trans | -104.1 | -19.3 | 179.2 | -60.9 | 172.3 | -174.8 | -166.9 | 0 | 113 | D1523 S1525 L1544 P1545 | D1523-R1527 PolarHBondContact OD1-N 3.13Å; S1525-R1527 PolarHBondContact O-N 3.3Å; S1525-R1527 WeakPolarHBondContact OG-CB 3.12Å; S1525-R1527 PolarHBondContact OG-N 3.16Å; R1527-L1544 WeakPolarHBondContact O-CB 3.37Å; R1527-L1544 PolarHBondContact O-N 2.8Å; R1527-P1545 HydrophobicContact CB-CG 3.89Å; R1527-P1545 HydrophobicContact CG-CG 3.9Å; R1527-P1545 WeakPolarHBondContact O-CD 3.12Å | ||
| 1528 | Q | 75.6 | Confident | 74.6 | Confident | 8 Ų | 8 | 35.8 Ų | 35.8 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 141.4 | 178.6 | -72.4 | 174.2 | 0.8 | 0 | 0 | 111 | L1086 C1129 E1132 D1523 W1542 | L1086-Q1528 HydrophobicContact CD1-CG 4.28Å; C1129-Q1528 VanDerWaalsContact CB-OE1 3.29Å; C1129-Q1528 PolarHBondContact O-NE2 3.36Å; C1129-Q1528 PolarHBondContact SG-OE1 2.95Å; E1132-Q1528 PolarHBondContact OE1-NE2 3.39Å; D1523-Q1528 HydrophobicContact CB-CB 4.04Å; D1523-Q1528 PolarHBondContact N-O 3.36Å; D1523-Q1528 VanDerWaalsContact N-O 3.07Å; D1523-Q1528 PolarHBondContact OD1-N 3.19Å; Q1528-W1542 CarbonylContact C-O 3.6Å; Q1528-W1542 VanDerWaalsContact CA-O 3.31Å; Q1528-W1542 WeakPolarHBondContact CA-O 3.32Å |
| 1529 | L | 81.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.3 | 176.9 | 175.1 | 61.8 | 0 | 0 | 0 | 109.8 | L1489 I1496 L1510 L1520 L1521 V1522 W1542 L1544 | L1489-L1529 HydrophobicContact CD1-CD1 3.84Å; L1489-L1529 HydrophobicContact CD1-CD2 4Å; L1489-L1529 HydrophobicContact CD1-CG 4.38Å; L1489-L1529 HydrophobicContact CD2-CD2 4.31Å; I1496-L1529 HydrophobicContact CD1-CD2 3.92Å; I1496-L1529 HydrophobicContact CG2-CD2 4.04Å; L1510-L1529 HydrophobicContact CD1-CD2 4.44Å; L1520-L1529 HydrophobicContact CB-CD1 4.24Å; L1520-L1529 HydrophobicContact CD2-CD1 4.11Å; L1521-L1529 WeakPolarHBondContact O-CD1 3.11Å; V1522-L1529 HydrophobicContact CG2-CD1 3.96Å; L1529-W1542 HydrophobicContact CB-CB 4.39Å; L1529-W1542 HydrophobicContact CD2-CE3 4.4Å; L1529-W1542 HydrophobicContact CG-CE3 4.26Å; L1529-W1542 PolarHBondContact N-O 3.25Å; L1529-W1542 PolarHBondContact O-N 3.31Å; L1529-L1544 HydrophobicContact CB-CD1 4.18Å; L1529-L1544 HydrophobicContact CB-CD2 3.94Å; L1529-L1544 HydrophobicContact CB-CG 4.03Å; L1529-L1544 HydrophobicContact CD2-CD2 4.13Å |
| 1530 | I | 80.1 | Confident | 74.1 | Confident | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.3 | 174.1 | -51.1 | -161.2 | 0 | 0 | 0 | 109.3 | L1098 I1114 L1520 L1521 L1539 N1540 L1541 | L1098-I1530 HydrophobicContact CD2-CG2 4.26Å; I1114-I1530 HydrophobicContact CD1-CD1 3.48Å; I1114-I1530 VanDerWaalsContact CD1-CD1 3.48Å; I1114-I1530 HydrophobicContact CD1-CG1 4.37Å; I1114-I1530 HydrophobicContact CG2-CD1 4.44Å; L1520-I1530 CarbonylContact C-O 3.49Å; L1520-I1530 VanDerWaalsContact CA-O 3.3Å; L1520-I1530 WeakPolarHBondContact CA-O 3.28Å; L1521-I1530 PolarHBondContact N-O 3.12Å; L1521-I1530 PolarHBondContact O-N 3.33Å; I1530-L1539 HydrophobicContact CG2-CD2 3.75Å; I1530-N1540 WeakPolarHBondContact CA-O 3.2Å; I1530-L1541 HydrophobicContact CB-CD2 4.45Å; I1530-L1541 HydrophobicContact CD1-CD2 3.59Å; I1530-L1541 HydrophobicContact CG1-CD2 3.66Å; I1530-L1541 HydrophobicContact CG2-CD2 4.3Å |
| 1531 | G | 79.5 | Confident | 73.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | R1519 N1540 | R1519-G1531 WeakPolarHBondContact O-CA 3.28Å; G1531-N1540 PolarHBondContact N-O 2.94Å; G1531-N1540 PolarHBondContact O-N 2.93Å |
| 1532 | Y | 81.5 | Confident | 73.3 | Confident | 10 Ų | 10 | 27.9 Ų | 27.9 | 4% | 0.039 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119.1 | -175.1 | 176.9 | -115.3 | 0 | 0 | 0 | 112.6 | S1094 L1095 S1518 R1519 L1539 | S1094-Y1532 VanDerWaalsContact CA-OH 3.29Å; S1094-Y1532 WeakPolarHBondContact CA-OH 3.48Å; L1095-Y1532 HydrophobicContact CB-CD1 3.85Å; L1095-Y1532 HydrophobicContact CB-CD2 3.95Å; L1095-Y1532 HydrophobicContact CB-CE1 3.65Å; L1095-Y1532 HydrophobicContact CB-CE2 3.76Å; L1095-Y1532 HydrophobicContact CB-CG 4.01Å; L1095-Y1532 HydrophobicContact CD2-CD1 3.87Å; L1095-Y1532 HydrophobicContact CD2-CD2 4.16Å; L1095-Y1532 HydrophobicContact CD2-CG 3.67Å; L1095-Y1532 PolarHBondContact N-OH 3.22Å; S1518-Y1532 PolarHBondContact N-O 3.16Å; S1518-Y1532 VanDerWaalsContact OG-CD1 3.25Å; S1518-Y1532 WeakPolarHBondContact OG-CD1 3.4Å; S1518-Y1532 PolarHBondContact OG-O 3.39Å; R1519-Y1532 PolarHBondContact O-N 3.31Å; Y1532-L1539 HydrophobicContact CD2-CD2 3.83Å; Y1532-L1539 HydrophobicContact CD2-CG 4.07Å; Y1532-L1539 HydrophobicContact CG-CD2 4.21Å |
| 1533 | I | 77.1 | Confident | 72.8 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 109.3 | 174.6 | -54.4 | 175.4 | 0 | 0 | 0 | 109.3 | S1512 V1516 I1517 T1535 S1536 K1537 I1538 N1540 | S1512-I1533 WeakPolarHBondContact OG-CD1 3.22Å; V1516-I1533 WeakPolarHBondContact O-CA 3.44Å; I1517-I1533 HydrophobicContact CG1-CG1 4.07Å; I1533-T1535 VanDerWaalsContact C-N 3.33Å; I1533-T1535 WeakPolarHBondContact CG2-OG1 3.25Å; I1533-T1535 PolarHBondContact O-N 3Å; I1533-S1536 WeakPolarHBondContact CB-OG 3.35Å; I1533-S1536 WeakPolarHBondContact CG2-OG 3.38Å; I1533-K1537 WeakPolarHBondContact O-CA 3.22Å; I1533-K1537 PolarHBondContact O-N 2.96Å; I1533-I1538 PolarHBondContact N-O 3.36Å; I1533-I1538 PolarHBondContact O-N 3.36Å; I1533-N1540 WeakPolarHBondContact CD1-ND2 3.32Å |
| 1534 | S | 69.8 | Low | 73.1 | Confident | 55 Ų | 55 | 28.5 Ų | 28.5 | 39% | 0.385 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -27.7 | -175.6 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1535 | T | 65 | Low | 73.5 | Confident | 83 Ų | 83 | 29.2 Ų | 29.2 | 51% | 0.509 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -29.1 | -177.8 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | L1466 I1533 | L1466-T1535 HydrophobicContact CD1-CG2 4.37Å; I1533-T1535 VanDerWaalsContact C-N 3.33Å; I1533-T1535 WeakPolarHBondContact CG2-OG1 3.25Å; I1533-T1535 PolarHBondContact O-N 3Å |
| 1536 | S | 63.9 | Low | 73.6 | Confident | 47 Ų | 47 | 29.5 Ų | 29.5 | 33% | 0.329 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -5.5 | 179.9 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | I1533 I1538 | I1533-S1536 WeakPolarHBondContact CB-OG 3.35Å; I1533-S1536 WeakPolarHBondContact CG2-OG 3.38Å; S1536-I1538 VanDerWaalsContact C-N 3.25Å; S1536-I1538 PolarHBondContact O-N 3.13Å |
| 1537 | K | 70.4 | Confident | 73.5 | Confident | 81 Ų | 81 | 29.5 Ų | 29.5 | 35% | 0.352 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 29.8 | -172.2 | -51.8 | 177.7 | -178.2 | 169.5 | 0 | 114.1 | C1091 A1092 I1533 | C1091-K1537 HydrophobicContact CB-CB 4.26Å; C1091-K1537 VanDerWaalsContact CB-O 3.32Å; C1091-K1537 WeakPolarHBondContact CB-O 3.24Å; C1091-K1537 PolarHBondContact N-O 3.07Å; C1091-K1537 WeakPolarHBondContact O-CB 3.34Å; C1091-K1537 VanDerWaalsContact O-CD 3.28Å; C1091-K1537 WeakPolarHBondContact O-CD 3.49Å; A1092-K1537 PolarHBondContact O-NZ 3.31Å; I1533-K1537 WeakPolarHBondContact O-CA 3.22Å; I1533-K1537 PolarHBondContact O-N 2.96Å |
| 1538 | I | 67.7 | Low | 73.3 | Confident | 23 Ų | 23 | 24.2 Ų | 24.2 | 12% | 0.118 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.6 | -179.7 | -60.8 | 173.9 | 0 | 0 | 0 | 110.5 | Q1088 T1090 I1533 S1536 | Q1088-I1538 HydrophobicContact CB-CG2 3.91Å; Q1088-I1538 HydrophobicContact CG-CG2 4.27Å; T1090-I1538 HydrophobicContact CG2-CG1 4.42Å; I1533-I1538 PolarHBondContact N-O 3.36Å; I1533-I1538 PolarHBondContact O-N 3.36Å; S1536-I1538 VanDerWaalsContact C-N 3.25Å; S1536-I1538 PolarHBondContact O-N 3.13Å |
| 1539 | L | 74 | Confident | 72.7 | Confident | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.6 | 159.5 | -75.1 | 168.3 | 0 | 0 | 0 | 109 | Q1088 I1089 L1095 I1116 I1530 Y1532 | Q1088-L1539 CarbonylContact C-O 3.58Å; Q1088-L1539 WeakPolarHBondContact CA-O 3.31Å; I1089-L1539 HydrophobicContact CB-CB 4.22Å; I1089-L1539 PolarHBondContact N-O 3.04Å; I1089-L1539 PolarHBondContact O-N 3.32Å; L1095-L1539 HydrophobicContact CD2-CD2 4.38Å; I1116-L1539 HydrophobicContact CD1-CD1 3.94Å; I1116-L1539 HydrophobicContact CG2-CD1 4.2Å; I1530-L1539 HydrophobicContact CG2-CD2 3.75Å; Y1532-L1539 HydrophobicContact CD2-CD2 3.83Å; Y1532-L1539 HydrophobicContact CD2-CG 4.07Å; Y1532-L1539 HydrophobicContact CG-CD2 4.21Å |
| 1540 | N | 73.8 | Confident | 71.7 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.1 | 174.6 | -66.9 | -94.6 | 0 | 0 | 0 | 108.8 | L1085 Q1088 I1530 G1531 I1533 W1542 | L1085-N1540 HydrophobicContact CD1-CB 3.68Å; Q1088-N1540 PolarHBondContact NE2-OD1 2.88Å; I1530-N1540 WeakPolarHBondContact CA-O 3.2Å; G1531-N1540 PolarHBondContact N-O 2.94Å; G1531-N1540 PolarHBondContact O-N 2.93Å; I1533-N1540 WeakPolarHBondContact CD1-ND2 3.32Å; N1540-W1542 HydrophobicContact CB-CD2 4.36Å; N1540-W1542 HydrophobicContact CB-CE3 3.96Å; N1540-W1542 HydrophobicContact CB-CH2 3.31Å; N1540-W1542 HydrophobicContact CB-CZ2 3.74Å; N1540-W1542 HydrophobicContact CB-CZ3 3.44Å; N1540-W1542 VanDerWaalsContact CB-CZ3 3.44Å |
| 1541 | L | 74.6 | Confident | 70.7 | Confident | 12 Ų | 12 | 30.3 Ų | 30.3 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.9 | 176.6 | -62.2 | 175.1 | 0 | 0 | 0 | 109.5 | L1085 L1086 G1087 I1089 Y1127 I1530 | L1085-L1541 CarbonylContact C-O 3.38Å; L1085-L1541 VanDerWaalsContact CA-O 3.27Å; L1085-L1541 WeakPolarHBondContact CA-O 3.44Å; L1085-L1541 WeakPolarHBondContact CD1-O 3.48Å; L1085-L1541 WeakPolarHBondContact CG-O 3.25Å; L1086-L1541 HydrophobicContact CB-CB 4.2Å; L1086-L1541 PolarHBondContact N-O 3.18Å; G1087-L1541 PolarHBondContact O-N 3.21Å; I1089-L1541 HydrophobicContact CD1-CD1 4.03Å; Y1127-L1541 HydrophobicContact CE1-CD1 4.25Å; Y1127-L1541 HydrophobicContact CE2-CD1 4.17Å; I1530-L1541 HydrophobicContact CB-CD2 4.45Å; I1530-L1541 HydrophobicContact CD1-CD2 3.59Å; I1530-L1541 HydrophobicContact CG1-CD2 3.66Å; I1530-L1541 HydrophobicContact CG2-CD2 4.3Å |
| 1542 | W | 76.5 | Confident | 69.5 | Low | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.3 | 177 | -66.4 | -87.9 | 0 | 0 | 0 | 112.9 | P1084 L1085 I1496 L1510 I1517 Q1528 L1529 N1540 | P1084-W1542 CarbonylContact O-C 3.47Å; P1084-W1542 WeakPolarHBondContact O-CA 3.47Å; P1084-W1542 WeakPolarHBondContact O-CB 3.29Å; L1085-W1542 HydrophobicContact CD1-CD2 4.01Å; L1085-W1542 HydrophobicContact CD1-CG 4.18Å; L1085-W1542 HydrophobicContact CD1-CZ2 4.18Å; I1496-W1542 HydrophobicContact CD1-CD2 4.49Å; I1496-W1542 HydrophobicContact CD1-CE3 3.97Å; I1496-W1542 HydrophobicContact CD1-CH2 3.4Å; I1496-W1542 HydrophobicContact CD1-CZ2 4Å; I1496-W1542 HydrophobicContact CD1-CZ3 3.38Å; L1510-W1542 HydrophobicContact CD1-CB 4.03Å; L1510-W1542 HydrophobicContact CD1-CD2 4.28Å; L1510-W1542 HydrophobicContact CD1-CG 3.83Å; I1517-W1542 HydrophobicContact CD1-CH2 4.21Å; Q1528-W1542 CarbonylContact C-O 3.6Å; Q1528-W1542 VanDerWaalsContact CA-O 3.31Å; Q1528-W1542 WeakPolarHBondContact CA-O 3.32Å; L1529-W1542 HydrophobicContact CB-CB 4.39Å; L1529-W1542 HydrophobicContact CD2-CE3 4.4Å; L1529-W1542 HydrophobicContact CG-CE3 4.26Å; L1529-W1542 PolarHBondContact N-O 3.25Å; L1529-W1542 PolarHBondContact O-N 3.31Å; N1540-W1542 HydrophobicContact CB-CD2 4.36Å; N1540-W1542 HydrophobicContact CB-CE3 3.96Å; N1540-W1542 HydrophobicContact CB-CH2 3.31Å; N1540-W1542 HydrophobicContact CB-CZ2 3.74Å; N1540-W1542 HydrophobicContact CB-CZ3 3.44Å; N1540-W1542 VanDerWaalsContact CB-CZ3 3.44Å |
| 1543 | N | 72.2 | Confident | 68 | Low | 32 Ų | 32 | 37.7 Ų | 37.7 | 17% | 0.171 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 110.9 | 172.2 | -174 | -57.9 | 0 | 0 | 0 | 109.6 | P1084 L1086 P1545 L1546 A1547 | P1084-N1543 PolarHBondContact O-N 3.1Å; L1086-N1543 HydrophobicContact CD1-CB 4.11Å; L1086-N1543 HydrophobicContact CD2-CB 4Å; L1086-N1543 HydrophobicContact CG-CB 4Å; N1543-P1545 WeakPolarHBondContact OD1-CD 3.48Å; N1543-L1546 HydrophobicContact CB-CB 3.99Å; N1543-L1546 PolarHBondContact O-N 3.43Å; N1543-L1546 VanDerWaalsContact OD1-CB 3.27Å; N1543-L1546 WeakPolarHBondContact OD1-CB 3.24Å; N1543-L1546 PolarHBondContact OD1-N 3.24Å; N1543-A1547 WeakPolarHBondContact O-CB 3.3Å; N1543-A1547 PolarHBondContact O-N 3.15Å |
| 1544 | L | 78.4 | Confident | 66.6 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.5 | -45.7 | -175.5 | -64.3 | 170.9 | 0 | 0 | 0 | 112.9 | A1482 L1489 I1498 R1527 L1529 L1546 A1547 L1548 | A1482-L1544 HydrophobicContact CB-CD1 3.87Å; L1489-L1544 HydrophobicContact CD1-CD1 4.01Å; L1489-L1544 HydrophobicContact CD1-CD2 4.31Å; L1489-L1544 HydrophobicContact CD2-CD2 3.98Å; I1498-L1544 HydrophobicContact CD1-CD2 3.91Å; R1527-L1544 WeakPolarHBondContact O-CB 3.37Å; R1527-L1544 PolarHBondContact O-N 2.8Å; L1529-L1544 HydrophobicContact CB-CD1 4.18Å; L1529-L1544 HydrophobicContact CB-CD2 3.94Å; L1529-L1544 HydrophobicContact CB-CG 4.03Å; L1529-L1544 HydrophobicContact CD2-CD2 4.13Å; L1544-L1546 VanDerWaalsContact C-N 3.32Å; L1544-L1546 PolarHBondContact O-N 2.87Å; L1544-A1547 WeakPolarHBondContact O-CB 3.35Å; L1544-A1547 PolarHBondContact O-N 2.92Å; L1544-A1547 VanDerWaalsContact O-N 3.16Å; L1544-L1548 WeakPolarHBondContact O-CG 3.33Å; L1544-L1548 PolarHBondContact O-N 3.47Å |
| 1545 | P | 74.9 | Confident | 65.5 | Low | 49 Ų | 49 | 45.9 Ų | 45.9 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -54.5 | -45.1 | 171.3 | -28.1 | 35.4 | 0 | 0 | 0 | 113.1 | R1527 N1543 A1547 L1548 T1549 | R1527-P1545 HydrophobicContact CB-CG 3.89Å; R1527-P1545 HydrophobicContact CG-CG 3.9Å; R1527-P1545 WeakPolarHBondContact O-CD 3.12Å; N1543-P1545 WeakPolarHBondContact OD1-CD 3.48Å; P1545-A1547 VanDerWaalsContact C-N 3.35Å; P1545-A1547 PolarHBondContact O-N 3.47Å; P1545-L1548 PolarHBondContact O-N 3.17Å; P1545-T1549 PolarHBondContact O-N 2.64Å; P1545-T1549 PolarHBondContact O-OG1 3.31Å |
| 1546 | L | 66.7 | Low | 64.4 | Low | 56 Ų | 56 | 48.5 Ų | 48.5 | 29% | 0.293 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.8 | -33 | 177.8 | -173.7 | 61.2 | 0 | 0 | 0 | 112.3 | N1543 L1544 L1548 T1549 N1550 | N1543-L1546 HydrophobicContact CB-CB 3.99Å; N1543-L1546 PolarHBondContact O-N 3.43Å; N1543-L1546 VanDerWaalsContact OD1-CB 3.27Å; N1543-L1546 WeakPolarHBondContact OD1-CB 3.24Å; N1543-L1546 PolarHBondContact OD1-N 3.24Å; L1544-L1546 VanDerWaalsContact C-N 3.32Å; L1544-L1546 PolarHBondContact O-N 2.87Å; L1546-L1548 VanDerWaalsContact C-N 3.35Å; L1546-T1549 PolarHBondContact O-OG1 3.26Å; L1546-N1550 WeakPolarHBondContact O-CB 3.33Å; L1546-N1550 PolarHBondContact O-N 3.32Å; L1546-N1550 PolarHBondContact O-ND2 3.31Å |
| 1547 | A | 67.6 | Low | 63.2 | Low | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.025 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.7 | -39 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1084 I1498 L1510 N1543 L1544 P1545 A1551 | P1084-A1547 HydrophobicContact CB-CB 3.94Å; I1498-A1547 HydrophobicContact CD1-CB 4.5Å; L1510-A1547 HydrophobicContact CD2-CB 3.9Å; N1543-A1547 WeakPolarHBondContact O-CB 3.3Å; N1543-A1547 PolarHBondContact O-N 3.15Å; L1544-A1547 WeakPolarHBondContact O-CB 3.35Å; L1544-A1547 PolarHBondContact O-N 2.92Å; L1544-A1547 VanDerWaalsContact O-N 3.16Å; P1545-A1547 VanDerWaalsContact C-N 3.35Å; P1545-A1547 PolarHBondContact O-N 3.47Å; A1547-A1551 WeakPolarHBondContact O-CB 3.38Å; A1547-A1551 PolarHBondContact O-N 2.92Å |
| 1548 | L | 69.7 | Low | 61.5 | Low | 41 Ų | 41 | 53.1 Ų | 53.1 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -75.7 | -37.8 | -179.5 | -68.8 | 178.8 | 0 | 0 | 0 | 113.1 | L1483 I1498 L1507 L1544 P1545 L1546 A1551 A1552 | L1483-L1548 HydrophobicContact CD1-CD1 3.56Å; I1498-L1548 HydrophobicContact CG2-CD2 4.29Å; L1507-L1548 HydrophobicContact CB-CD2 4.01Å; L1507-L1548 HydrophobicContact CD1-CD2 3.6Å; L1507-L1548 HydrophobicContact CG-CD2 4.48Å; L1544-L1548 WeakPolarHBondContact O-CG 3.33Å; L1544-L1548 PolarHBondContact O-N 3.47Å; P1545-L1548 PolarHBondContact O-N 3.17Å; L1546-L1548 VanDerWaalsContact C-N 3.35Å; L1548-A1551 WeakPolarHBondContact O-CB 2.87Å; L1548-A1551 PolarHBondContact O-N 2.97Å; L1548-A1552 WeakPolarHBondContact O-CB 3.44Å; L1548-A1552 PolarHBondContact O-N 3.37Å |
| 1549 | T | 62.9 | Low | 59.9 | Low | 79 Ų | 79 | 58.9 Ų | 58.9 | 49% | 0.485 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 173 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | P1545 L1546 A1551 A1552 L1553 | P1545-T1549 PolarHBondContact O-N 2.64Å; P1545-T1549 PolarHBondContact O-OG1 3.31Å; L1546-T1549 PolarHBondContact O-OG1 3.26Å; T1549-A1551 PolarHBondContact O-N 3.04Å; T1549-A1552 PolarHBondContact O-N 2.69Å; T1549-L1553 WeakPolarHBondContact O-CG 3.48Å; T1549-L1553 PolarHBondContact O-N 3.48Å; T1549-L1553 VanDerWaalsContact O-N 3.08Å |
| 1550 | N | 59.3 | Low | 58 | Low | 53 Ų | 53 | 63.6 Ų | 63.6 | 28% | 0.283 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.8 | -31 | 172.2 | -78.8 | -52.6 | 0 | 0 | 0 | 112.9 | L1546 | L1546-N1550 WeakPolarHBondContact O-CB 3.33Å; L1546-N1550 PolarHBondContact O-N 3.32Å; L1546-N1550 PolarHBondContact O-ND2 3.31Å |
| 1551 | A | 59.8 | Low | 55.9 | Low | 7 Ų | 7 | 70.1 Ų | 70.1 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -75.5 | -42.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1508 A1547 L1548 T1549 L1553 K1554 Q1555 | T1508-A1551 HydrophobicContact CG2-CB 4.27Å; A1547-A1551 WeakPolarHBondContact O-CB 3.38Å; A1547-A1551 PolarHBondContact O-N 2.92Å; L1548-A1551 WeakPolarHBondContact O-CB 2.87Å; L1548-A1551 PolarHBondContact O-N 2.97Å; T1549-A1551 PolarHBondContact O-N 3.04Å; A1551-L1553 VanDerWaalsContact C-N 3.28Å; A1551-L1553 PolarHBondContact O-N 3.25Å; A1551-K1554 WeakPolarHBondContact O-CB 3.45Å; A1551-K1554 PolarHBondContact O-N 3.43Å; A1551-Q1555 PolarHBondContact O-N 3Å |
| 1552 | A | 53.3 | Low | 53.7 | Low | 47 Ų | 47 | 73.6 Ų | 73.6 | 39% | 0.388 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.7 | -35.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1548 T1549 K1554 Q1555 N1556 | L1548-A1552 WeakPolarHBondContact O-CB 3.44Å; L1548-A1552 PolarHBondContact O-N 3.37Å; T1549-A1552 PolarHBondContact O-N 2.69Å; A1552-K1554 VanDerWaalsContact C-N 3.31Å; A1552-K1554 PolarHBondContact O-N 2.63Å; A1552-Q1555 PolarHBondContact O-N 2.86Å; A1552-N1556 PolarHBondContact O-ND2 3.37Å |
| 1553 | L | 50.1 | Low | 51.6 | Low | 118 Ų | 118 | 77 Ų | 77 | 62% | 0.618 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.7 | -36.8 | 172.4 | -70.6 | 170.6 | 0 | 0 | 0 | 112.3 | T1549 A1551 | T1549-L1553 WeakPolarHBondContact O-CG 3.48Å; T1549-L1553 PolarHBondContact O-N 3.48Å; T1549-L1553 VanDerWaalsContact O-N 3.08Å; A1551-L1553 VanDerWaalsContact C-N 3.28Å; A1551-L1553 PolarHBondContact O-N 3.25Å |
| 1554 | K | 48.7 | Very low | 49.7 | Very low | 115 Ų | 115 | 83.3 Ų | 83.3 | 50% | 0.5 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.7 | -34.3 | 176.1 | -69.2 | -173.8 | 173.1 | -164.2 | 0 | 113.7 | A1551 A1552 N1556 S1557 | A1551-K1554 WeakPolarHBondContact O-CB 3.45Å; A1551-K1554 PolarHBondContact O-N 3.43Å; A1552-K1554 VanDerWaalsContact C-N 3.31Å; A1552-K1554 PolarHBondContact O-N 2.63Å; K1554-N1556 VanDerWaalsContact C-N 3.3Å; K1554-N1556 PolarHBondContact O-N 3.09Å; K1554-S1557 PolarHBondContact O-OG 3.14Å |
| 1555 | Q | 45.7 | Very low | 47.7 | Very low | 112 Ų | 112 | 90.5 Ų | 90.5 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.5 | -18.1 | -176.2 | -68.3 | -173 | 0.4 | 0 | 0 | 113.8 | A1551 A1552 N1558 | A1551-Q1555 PolarHBondContact O-N 3Å; A1552-Q1555 PolarHBondContact O-N 2.86Å; Q1555-N1558 PolarHBondContact O-ND2 3.32Å |
| 1556 | N | 42 | Very low | 45.7 | Very low | 138 Ų | 138 | 92.6 Ų | 92.6 | 74% | 0.738 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -10.4 | -178.1 | -77.2 | -66.2 | 0 | 0 | 0 | 114.5 | A1552 K1554 N1558 | A1552-N1556 PolarHBondContact O-ND2 3.37Å; K1554-N1556 VanDerWaalsContact C-N 3.3Å; K1554-N1556 PolarHBondContact O-N 3.09Å; N1556-N1558 PolarHBondContact O-N 2.86Å |
| 1557 | S | 39.2 | Very low | 44.4 | Very low | 76 Ų | 76 | 97.8 Ų | 97.8 | 53% | 0.531 | 55% | 0.55 | S | S | . | * | trans | -92.6 | 62.7 | -176.1 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | K1554 I1559 | K1554-S1557 PolarHBondContact O-OG 3.14Å; S1557-I1559 VanDerWaalsContact C-N 3.33Å; S1557-I1559 PolarHBondContact O-N 2.95Å | ||
| 1558 | N | 35.5 | Very low | 43.2 | Very low | 150 Ų | 150 | 101 Ų | 101 | 80% | 0.802 | 57% | 0.572 | S | S | * | * | trans | -85.3 | 28.9 | -173.7 | -89.2 | -38.8 | 0 | 0 | 0 | 115.9 | Q1555 N1556 | Q1555-N1558 PolarHBondContact O-ND2 3.32Å; N1556-N1558 PolarHBondContact O-N 2.86Å | ||
| 1559 | I | 33.9 | Very low | 42 | Very low | 144 Ų | 144 | 101.7 Ų | 101.7 | 74% | 0.738 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -136.8 | 132.3 | -175.7 | -57.6 | -179.1 | 0 | 0 | 0 | 111.9 | S1557 | S1557-I1559 VanDerWaalsContact C-N 3.33Å; S1557-I1559 PolarHBondContact O-N 2.95Å |
| 1560 | T | 32.9 | Very low | 41.4 | Very low | 102 Ų | 102 | 101 Ų | 101 | 63% | 0.626 | 57% | 0.565 | S | S | * | * | trans | 63.2 | 113.3 | 177.8 | 49.9 | 0 | 0 | 0 | 0 | 118.3 | A1562 | T1560-A1562 PolarHBondContact O-N 3.25Š| ||
| 1561 | P | 29.8 | Very low | 41.2 | Very low | 138 Ų | 138 | 100.3 Ų | 100.3 | 90% | 0.896 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 24.3 | 176.4 | -19.2 | 33.4 | 0 | 0 | 0 | 116.8 | ||
| 1562 | A | 29.6 | Very low | 41.1 | Very low | 85 Ų | 85 | 101 Ų | 101 | 70% | 0.702 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -7.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115 | T1560 | T1560-A1562 PolarHBondContact O-N 3.25Š|
| 1563 | S | 30.7 | Very low | 41.7 | Very low | 73 Ų | 73 | 100.1 Ų | 100.1 | 51% | 0.51 | 55% | 0.554 | S | S | . | * | trans | -102.5 | 73.6 | -176.3 | 44.8 | 0 | 0 | 0 | 0 | 112.5 | L1565 | S1563-L1565 PolarHBondContact O-N 3.42Š| ||
| 1564 | L | 32.6 | Very low | 42.6 | Very low | 164 Ų | 164 | 94.7 Ų | 94.7 | 86% | 0.859 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 29.7 | 178.1 | -83.2 | 119.8 | 0 | 0 | 0 | 115.2 | ||
| 1565 | L | 36.1 | Very low | 43.3 | Very low | 150 Ų | 150 | 91.7 Ų | 91.7 | 79% | 0.785 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 7.3 | -169.5 | -69.5 | 167.3 | 0 | 0 | 0 | 114.5 | S1563 | S1563-L1565 PolarHBondContact O-N 3.42Š|
| 1566 | N | 34.6 | Very low | 44.3 | Very low | 94 Ų | 94 | 90.9 Ų | 90.9 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 12.2 | -174.4 | -75.7 | 4.6 | 0 | 0 | 0 | 115.3 | S1568 | N1566-S1568 VanDerWaalsContact C-N 3.34Š|
| 1567 | E | 39.2 | Very low | 45.6 | Very low | 165 Ų | 165 | 86.3 Ų | 86.3 | 77% | 0.771 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 16.2 | 175.6 | -59 | -151.5 | 133.9 | 0 | 0 | 113.7 | N1569 | E1567-N1569 VanDerWaalsContact C-N 3.29Å; E1567-N1569 PolarHBondContact O-N 3.35Å |
| 1568 | S | 41.4 | Very low | 47.4 | Very low | 69 Ų | 69 | 82.9 Ų | 82.9 | 48% | 0.483 | 47% | 0.465 | S | S | . | . | trans | -66.2 | 62.8 | -173 | 48.1 | 0 | 0 | 0 | 0 | 116.1 | N1566 | N1566-S1568 VanDerWaalsContact C-N 3.34Š| ||
| 1569 | N | 44.7 | Very low | 49.4 | Very low | 56 Ų | 56 | 80 Ų | 80 | 30% | 0.299 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -137.6 | 90.2 | 168.9 | -78 | -82.5 | 0 | 0 | 0 | 112.5 | R1033 E1567 | R1033-N1569 PolarHBondContact NH1-OD1 2.9Å; R1033-N1569 PolarHBondContact NH2-OD1 3.28Å; E1567-N1569 VanDerWaalsContact C-N 3.29Å; E1567-N1569 PolarHBondContact O-N 3.35Å |
| 1570 | R | 49.6 | Very low | 51.4 | Low | 66 Ų | 66 | 77.7 Ų | 77.7 | 25% | 0.249 | 44% | 0.436 | C | S | . | . | trans | 86.5 | 146.8 | 175.5 | -52.9 | -166.2 | -163.7 | 118.2 | 15.3 | 117.4 | N1083 T1511 | N1083-R1570 PolarHBondContact OD1-NH2 3.3Å; T1511-R1570 PolarHBondContact O-NH1 3.17Å | ||
| 1571 | I | 55.8 | Low | 53.6 | Low | 37 Ų | 37 | 73.7 Ų | 73.7 | 19% | 0.19 | 41% | 0.41 | C | S | . | . | trans | -79.7 | 133.6 | 164.5 | -54.4 | 175 | 0 | 0 | 0 | 107.3 | P1078 Y1994 | P1078-I1571 HydrophobicContact CG-CD1 4.47Å; I1571-Y1994 HydrophobicContact CB-CD1 4.29Å; I1571-Y1994 HydrophobicContact CG2-CD1 4.22Å | ||
| 1572 | D | 58 | Low | 55.9 | Low | 23 Ų | 23 | 68.1 Ų | 68.1 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | trans | -70 | 151 | 172.7 | -74.7 | -79.7 | 0 | 0 | 0 | 111.3 | R1494 H1609 L1610 | R1494-D1572 IonicContact CZ-OD1 2.67Å; R1494-D1572 IonicContact NH1-OD1 2.71Å; R1494-D1572 PolarHBondContact NH1-OD1 2.78Å; R1494-D1572 IonicContact NH2-OD1 3.18Å; R1494-D1572 PolarHBondContact NH2-OD1 3.12Å; D1572-H1609 IonicContact OD2-ND1 2.64Å; D1572-L1610 HydrophobicContact CB-CB 3.6Å; D1572-L1610 HydrophobicContact CB-CD2 4.21Å | ||
| 1573 | C | 65 | Low | 58.2 | Low | 28 Ų | 28 | 68.3 Ų | 68.3 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -131.9 | 141.5 | 179.4 | 115.2 | 0 | 0 | 0 | 0 | 110.9 | I1514 D1992 G1993 Y1994 | I1514-C1573 WeakPolarHBondContact CD1-O 3.38Å; C1573-D1992 PolarHBondContact SG-O 2.88Å; C1573-D1992 VanDerWaalsContact SG-O 3.34Å; C1573-G1993 WeakPolarHBondContact CA-O 3.13Å; C1573-Y1994 HydrophobicContact CB-CD1 3.52Å; C1573-Y1994 HydrophobicContact CB-CE1 3.54Å; C1573-Y1994 HydrophobicContact CB-CG 4.05Å |
| 1574 | L | 69.1 | Low | 60.1 | Low | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | trans | -84.9 | 160.8 | 176.1 | -64.5 | 177.6 | 0 | 0 | 0 | 111.6 | K1576 V1592 F1603 L1610 V1613 G1993 | L1574-K1576 PolarHBondContact O-N 3.27Å; L1574-V1592 HydrophobicContact CD1-CB 4.14Å; L1574-V1592 HydrophobicContact CD1-CG1 3.66Å; L1574-F1603 HydrophobicContact CD1-CE2 4.12Å; L1574-F1603 HydrophobicContact CG-CE2 4.36Å; L1574-F1603 HydrophobicContact CG-CZ 4.34Å; L1574-L1610 HydrophobicContact CD2-CD1 3.9Å; L1574-L1610 HydrophobicContact CD2-CD2 4.17Å; L1574-V1613 HydrophobicContact CD2-CG2 4.2Å; L1574-G1993 PolarHBondContact N-O 3.45Å | ||
| 1575 | T | 63.7 | Low | 61.7 | Low | 53 Ų | 53 | 63.6 Ų | 63.6 | 33% | 0.325 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -78.4 | -2.6 | -171.9 | 79.3 | 0 | 0 | 0 | 0 | 114.9 | P1467 I1514 E1599 | P1467-T1575 HydrophobicContact CG-CG2 4.36Å; I1514-T1575 HydrophobicContact CG2-CG2 4.18Å; T1575-E1599 VanDerWaalsContact CG2-OE1 3.29Å; T1575-E1599 WeakPolarHBondContact CG2-OE1 3.4Å; T1575-E1599 PolarHBondContact N-OE2 3.27Å; T1575-E1599 PolarHBondContact OG1-OE1 3.31Å; T1575-E1599 PolarHBondContact OG1-OE2 3.42Å |
| 1576 | K | 67 | Low | 63.1 | Low | 95 Ų | 95 | 59.9 Ų | 59.9 | 41% | 0.413 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -146.2 | 155.5 | -172.8 | -68.3 | -59.9 | 172.3 | -158 | 0 | 111.8 | L1574 I1578 C1594 | L1574-K1576 PolarHBondContact O-N 3.27Å; K1576-I1578 PolarHBondContact O-N 3.06Å; K1576-C1594 HydrophobicContact CB-CB 3.65Å; K1576-C1594 PolarHBondContact O-SG 3.13Å; K1576-C1594 VanDerWaalsContact O-SG 3.34Å |
| 1577 | P | 69 | Low | 65 | Low | 41 Ų | 41 | 56.2 Ų | 56.2 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | trans | -54.1 | 134.3 | 175.5 | -26.9 | 35.3 | 0 | 0 | 0 | 112.9 | N1579 C1594 H1595 T1974 L1991 | P1577-N1579 PolarHBondContact O-N 3.23Å; P1577-C1594 WeakPolarHBondContact O-CA 3.48Å; P1577-H1595 PolarHBondContact O-N 3.01Å; P1577-T1974 HydrophobicContact CB-CG2 4.16Å; P1577-L1991 HydrophobicContact CB-CD1 4.09Å; P1577-L1991 HydrophobicContact CG-CD1 3.86Å | ||
| 1578 | I | 78 | Confident | 66.7 | Low | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129.2 | 178.9 | -65.7 | 172.3 | 0 | 0 | 0 | 109.7 | K1576 L1581 V1592 T1974 T1975 I1995 | K1576-I1578 PolarHBondContact O-N 3.06Å; I1578-L1581 HydrophobicContact CG2-CD2 3.94Å; I1578-L1581 HydrophobicContact CG2-CG 4.41Å; I1578-V1592 HydrophobicContact CB-CG1 4.38Å; I1578-V1592 HydrophobicContact CD1-CG1 4.21Å; I1578-V1592 HydrophobicContact CG1-CG1 3.92Å; I1578-V1592 HydrophobicContact CG2-CG1 3.73Å; I1578-T1974 WeakPolarHBondContact O-CB 3.34Å; I1578-T1974 PolarHBondContact O-OG1 3.32Å; I1578-T1975 HydrophobicContact CG2-CG2 3.75Å; I1578-I1995 HydrophobicContact CD1-CD1 4.2Å; I1578-I1995 HydrophobicContact CD1-CG1 3.53Å |
| 1579 | N | 77.6 | Confident | 68.5 | Low | 89 Ų | 89 | 50.9 Ų | 50.9 | 48% | 0.476 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -58.6 | -176.5 | -174.7 | 45.1 | 0 | 0 | 0 | 111.8 | P1577 T1593 H1595 | P1577-N1579 PolarHBondContact O-N 3.23Å; N1579-T1593 WeakPolarHBondContact CB-O 3.18Å; N1579-T1593 PolarHBondContact N-O 2.93Å; N1579-H1595 HydrophobicContact CB-CB 4.35Å |
| 1580 | Q | 75.3 | Confident | 70.2 | Confident | 96 Ų | 96 | 48.6 Ų | 48.6 | 45% | 0.449 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 139.6 | -179.2 | -163.6 | -176.7 | -14.7 | 0 | 0 | 111.5 | I1582 V1592 T1593 | Q1580-I1582 HydrophobicContact CB-CG1 4.4Å; Q1580-I1582 HydrophobicContact CG-CD1 4.35Å; Q1580-I1582 HydrophobicContact CG-CG1 3.85Å; Q1580-V1592 WeakPolarHBondContact O-CA 3.42Å; Q1580-T1593 VanDerWaalsContact CB-OG1 3.29Å; Q1580-T1593 WeakPolarHBondContact CB-OG1 3.43Å; Q1580-T1593 PolarHBondContact N-O 3.15Å; Q1580-T1593 PolarHBondContact N-OG1 3.01Å; Q1580-T1593 PolarHBondContact O-N 2.93Å |
| 1581 | L | 78.5 | Confident | 71.9 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.6 | 171.5 | -64.5 | 179.4 | 0 | 0 | 0 | 108 | I1578 L1590 V1592 T1975 F1987 I1995 | I1578-L1581 HydrophobicContact CG2-CD2 3.94Å; I1578-L1581 HydrophobicContact CG2-CG 4.41Å; L1581-L1590 HydrophobicContact CB-CD1 4.14Å; L1581-L1590 HydrophobicContact CD2-CD1 4.41Å; L1581-L1590 HydrophobicContact CD2-CD2 4.35Å; L1581-V1592 HydrophobicContact CD2-CB 4.47Å; L1581-V1592 HydrophobicContact CD2-CG1 4.09Å; L1581-V1592 HydrophobicContact CD2-CG2 3.84Å; L1581-T1975 HydrophobicContact CD1-CG2 4.05Å; L1581-T1975 HydrophobicContact CG-CG2 4.05Å; L1581-F1987 HydrophobicContact CD1-CB 4.41Å; L1581-I1995 HydrophobicContact CD2-CD1 4.44Å |
| 1582 | I | 78.7 | Confident | 73.2 | Confident | 21 Ų | 21 | 43.7 Ų | 43.7 | 11% | 0.108 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.4 | -174.4 | -38.1 | 178.7 | 0 | 0 | 0 | 109.3 | Q1580 L1591 T1593 V1623 L1625 | Q1580-I1582 HydrophobicContact CB-CG1 4.4Å; Q1580-I1582 HydrophobicContact CG-CD1 4.35Å; Q1580-I1582 HydrophobicContact CG-CG1 3.85Å; I1582-L1591 HydrophobicContact CB-CB 4.3Å; I1582-L1591 PolarHBondContact N-O 3.22Å; I1582-L1591 PolarHBondContact O-N 2.81Å; I1582-T1593 HydrophobicContact CD1-CG2 4.2Å; I1582-V1623 HydrophobicContact CD1-CB 3.73Å; I1582-V1623 HydrophobicContact CD1-CG1 3.84Å; I1582-L1625 HydrophobicContact CG2-CD1 4.06Å |
| 1583 | Y | 76.8 | Confident | 74.5 | Confident | 89 Ų | 89 | 43.1 Ų | 43.1 | 35% | 0.349 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 166.8 | -178.9 | 57.7 | -100.7 | 0 | 0 | 0 | 110.3 | P1980 | Y1583-P1980 HydrophobicContact CD1-CG 4.48Å; Y1583-P1980 HydrophobicContact CD2-CB 4.03Å; Y1583-P1980 HydrophobicContact CD2-CG 3.67Å; Y1583-P1980 HydrophobicContact CE2-CB 3.62Å; Y1583-P1980 HydrophobicContact CE2-CG 3.76Å; Y1583-P1980 HydrophobicContact CG-CG 4.07Å |
| 1584 | S | 71.2 | Confident | 75.3 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 7% | 0.07 | 22% | 0.223 | C | C | . | . | trans | -121.1 | 139.2 | 167.1 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | S1586 S1587 | S1584-S1586 PolarHBondContact O-N 2.96Å; S1584-S1586 PolarHBondContact OG-OG 2.87Å; S1584-S1587 PolarHBondContact O-N 3.36Å; S1584-S1587 VanDerWaalsContact O-N 3.1Å; S1584-S1587 PolarHBondContact O-OG 2.89Å | ||
| 1585 | N | 66 | Low | 75.6 | Confident | 129 Ų | 129 | 46.9 Ų | 46.9 | 69% | 0.69 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -6.5 | 177.5 | -63.5 | -8.4 | 0 | 0 | 0 | 113.8 | ||
| 1586 | S | 67.1 | Low | 76 | Confident | 71 Ų | 71 | 50 Ų | 50 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 1.2 | -178.8 | 65.9 | 0 | 0 | 0 | 0 | 115.1 | S1584 S1627 C1628 | S1584-S1586 PolarHBondContact O-N 2.96Å; S1584-S1586 PolarHBondContact OG-OG 2.87Å; S1586-S1627 PolarHBondContact OG-O 3.4Å; S1586-C1628 WeakPolarHBondContact OG-CA 3.38Å |
| 1587 | S | 72.7 | Confident | 76.3 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 12% | 0.119 | 24% | 0.241 | C | C | . | . | trans | -139.5 | 144.2 | -171.6 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | S1584 I1589 | S1584-S1587 PolarHBondContact O-N 3.36Å; S1584-S1587 VanDerWaalsContact O-N 3.1Å; S1584-S1587 PolarHBondContact O-OG 2.89Å; S1587-I1589 PolarHBondContact O-N 3.3Å; S1587-I1589 VanDerWaalsContact O-N 3.1Å | ||
| 1588 | N | 74.9 | Confident | 76.7 | Confident | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.342 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -74.6 | 13.4 | 170.7 | -48.8 | -63 | 0 | 0 | 0 | 113.4 | L1605 R1606 | N1588-L1605 WeakPolarHBondContact O-CB 3.35Å; N1588-L1605 WeakPolarHBondContact O-CG 3.41Å; N1588-L1605 PolarHBondContact O-N 3.4Å; N1588-R1606 HydrophobicContact CB-CG 4.48Å; N1588-R1606 VanDerWaalsContact CG-NE 3.3Å; N1588-R1606 PolarHBondContact ND2-NE 3.36Å; N1588-R1606 PolarHBondContact OD1-NE 3.26Å; N1588-R1606 PolarHBondContact OD1-NH2 3.37Å; N1588-R1606 VanDerWaalsContact OD1-NH2 3.16Å |
| 1589 | I | 79.2 | Confident | 76.6 | Confident | 59 Ų | 59 | 44 Ų | 44 | 30% | 0.303 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 133.9 | -171.8 | -62.5 | 174.4 | 0 | 0 | 0 | 110.1 | S1587 L1591 V1602 | S1587-I1589 PolarHBondContact O-N 3.3Å; S1587-I1589 VanDerWaalsContact O-N 3.1Å; I1589-L1591 HydrophobicContact CG2-CD2 4.33Å; I1589-V1602 HydrophobicContact CG2-CG1 3.59Å |
| 1590 | L | 80.9 | Confident | 76.9 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 114 | 170.8 | 178.8 | 64.4 | 0 | 0 | 0 | 109.1 | L1581 V1592 F1603 L1605 I1995 | L1581-L1590 HydrophobicContact CB-CD1 4.14Å; L1581-L1590 HydrophobicContact CD2-CD1 4.41Å; L1581-L1590 HydrophobicContact CD2-CD2 4.35Å; L1590-V1592 HydrophobicContact CD2-CG2 4.37Å; L1590-V1592 HydrophobicContact CG-CG2 4.03Å; L1590-F1603 HydrophobicContact CB-CB 4.27Å; L1590-F1603 PolarHBondContact N-O 3.49Å; L1590-F1603 PolarHBondContact O-N 3.26Å; L1590-L1605 HydrophobicContact CB-CD2 3.88Å; L1590-L1605 HydrophobicContact CB-CG 4.12Å; L1590-L1605 HydrophobicContact CD2-CD2 4.18Å; L1590-L1605 HydrophobicContact CG-CD2 4.49Å; L1590-I1995 HydrophobicContact CD2-CD1 4.27Å |
| 1591 | L | 85.9 | Confident | 77.2 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 140.8 | 168.7 | -67.9 | -172.8 | 0 | 0 | 0 | 110.2 | I1582 I1589 L1600 G1601 V1602 V1623 L1625 A1632 L1652 | I1582-L1591 HydrophobicContact CB-CB 4.3Å; I1582-L1591 PolarHBondContact N-O 3.22Å; I1582-L1591 PolarHBondContact O-N 2.81Å; I1589-L1591 HydrophobicContact CG2-CD2 4.33Å; L1591-L1600 HydrophobicContact CB-CD1 4.25Å; L1591-L1600 HydrophobicContact CD1-CD2 4.46Å; L1591-L1600 HydrophobicContact CD2-CD2 4.4Å; L1591-L1600 HydrophobicContact CD2-CG 4.5Å; L1591-G1601 WeakPolarHBondContact CA-O 3.32Å; L1591-V1602 HydrophobicContact CD2-CB 4.36Å; L1591-V1602 HydrophobicContact CD2-CG1 4.15Å; L1591-V1602 HydrophobicContact CD2-CG2 3.69Å; L1591-V1623 HydrophobicContact CD1-CG1 4.39Å; L1591-L1625 HydrophobicContact CD1-CD1 3.88Å; L1591-L1625 HydrophobicContact CD1-CD2 3.86Å; L1591-L1625 HydrophobicContact CD1-CG 3.73Å; L1591-L1625 HydrophobicContact CG-CD1 4.13Å; L1591-A1632 HydrophobicContact CD1-CB 4.39Å; L1591-L1652 HydrophobicContact CD1-CD1 4.24Å; L1591-L1652 HydrophobicContact CD2-CD1 4.42Å; L1591-L1652 HydrophobicContact CD2-CD2 4.48Å |
| 1592 | V | 83.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 113.4 | -172.7 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | L1574 I1578 Q1580 L1581 L1590 G1601 F1603 I1995 | L1574-V1592 HydrophobicContact CD1-CB 4.14Å; L1574-V1592 HydrophobicContact CD1-CG1 3.66Å; I1578-V1592 HydrophobicContact CB-CG1 4.38Å; I1578-V1592 HydrophobicContact CD1-CG1 4.21Å; I1578-V1592 HydrophobicContact CG1-CG1 3.92Å; I1578-V1592 HydrophobicContact CG2-CG1 3.73Å; Q1580-V1592 WeakPolarHBondContact O-CA 3.42Å; L1581-V1592 HydrophobicContact CD2-CB 4.47Å; L1581-V1592 HydrophobicContact CD2-CG1 4.09Å; L1581-V1592 HydrophobicContact CD2-CG2 3.84Å; L1590-V1592 HydrophobicContact CD2-CG2 4.37Å; L1590-V1592 HydrophobicContact CG-CG2 4.03Å; V1592-G1601 PolarHBondContact N-O 3.04Å; V1592-G1601 PolarHBondContact O-N 3.49Å; V1592-F1603 HydrophobicContact CB-CD2 4.39Å; V1592-F1603 HydrophobicContact CB-CE2 4.23Å; V1592-F1603 HydrophobicContact CG2-CD2 3.54Å; V1592-F1603 HydrophobicContact CG2-CE2 3.76Å; V1592-I1995 HydrophobicContact CG2-CD1 3.97Å |
| 1593 | T | 85.5 | Confident | 77.3 | Confident | 10 Ų | 10 | 34.2 Ų | 34.2 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 145 | 173.3 | 68.6 | 0 | 0 | 0 | 0 | 110.3 | N1579 Q1580 I1582 L1600 V1620 V1623 | N1579-T1593 WeakPolarHBondContact CB-O 3.18Å; N1579-T1593 PolarHBondContact N-O 2.93Å; Q1580-T1593 VanDerWaalsContact CB-OG1 3.29Å; Q1580-T1593 WeakPolarHBondContact CB-OG1 3.43Å; Q1580-T1593 PolarHBondContact N-O 3.15Å; Q1580-T1593 PolarHBondContact N-OG1 3.01Å; Q1580-T1593 PolarHBondContact O-N 2.93Å; I1582-T1593 HydrophobicContact CD1-CG2 4.2Å; T1593-L1600 HydrophobicContact CG2-CD1 3.87Å; T1593-V1620 HydrophobicContact CG2-CG1 4.48Å; T1593-V1623 HydrophobicContact CG2-CB 4.39Å; T1593-V1623 HydrophobicContact CG2-CG2 3.82Å |
| 1594 | C | 80.3 | Confident | 76.9 | Confident | 8 Ų | 8 | 31.7 Ų | 31.7 | 5% | 0.054 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 147.4 | 178.8 | -76.5 | 0 | 0 | 0 | 0 | 112 | K1576 P1577 N1596 S1597 | K1576-C1594 HydrophobicContact CB-CB 3.65Å; K1576-C1594 PolarHBondContact O-SG 3.13Å; K1576-C1594 VanDerWaalsContact O-SG 3.34Å; P1577-C1594 WeakPolarHBondContact O-CA 3.48Å; C1594-N1596 PolarHBondContact O-N 3.06Å; C1594-S1597 PolarHBondContact O-N 2.91Å |
| 1595 | H | 75.7 | Confident | 76.7 | Confident | 103 Ų | 103 | 32.9 Ų | 32.9 | 48% | 0.477 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 119.9 | -174.8 | -176.2 | -63.3 | 0 | 0 | 0 | 111.9 | P1577 N1579 S1597 | P1577-H1595 PolarHBondContact O-N 3.01Å; N1579-H1595 HydrophobicContact CB-CB 4.35Å; H1595-S1597 VanDerWaalsContact C-N 3.33Å; H1595-S1597 PolarHBondContact O-N 3.26Å |
| 1596 | N | 72.1 | Confident | 76.4 | Confident | 118 Ų | 118 | 35.5 Ų | 35.5 | 63% | 0.631 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 48.5 | -174.9 | -64.4 | 7.6 | 0 | 0 | 0 | 113.1 | C1594 | C1594-N1596 PolarHBondContact O-N 3.06Š|
| 1597 | S | 73.6 | Confident | 75.7 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | trans | -116.5 | 154.7 | 178.8 | -155.5 | 0 | 0 | 0 | 0 | 112.5 | C1594 H1595 E1599 V1620 | C1594-S1597 PolarHBondContact O-N 2.91Å; H1595-S1597 VanDerWaalsContact C-N 3.33Å; H1595-S1597 PolarHBondContact O-N 3.26Å; S1597-E1599 VanDerWaalsContact C-N 3.3Å; S1597-E1599 WeakPolarHBondContact OG-CB 3.23Å; S1597-E1599 WeakPolarHBondContact OG-CG 3.14Å; S1597-E1599 PolarHBondContact OG-N 2.92Å; S1597-V1620 PolarHBondContact O-N 3.24Å | ||
| 1598 | D | 76.2 | Confident | 75 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.032 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -82.1 | -9.9 | 161 | 54.6 | -40.4 | 0 | 0 | 0 | 112.1 | P1467 N1468 T1615 H1616 | P1467-D1598 WeakPolarHBondContact CA-OD2 3.36Å; P1467-D1598 WeakPolarHBondContact CB-OD1 3.43Å; N1468-D1598 PolarHBondContact N-OD2 2.99Å; N1468-D1598 PolarHBondContact ND2-OD1 3.11Å; N1468-D1598 VanDerWaalsContact ND2-OD1 3.1Å; D1598-T1615 WeakPolarHBondContact O-CA 3.26Å; D1598-H1616 HydrophobicContact CB-CB 4.47Å; D1598-H1616 PolarHBondContact O-N 3.48Å; D1598-H1616 VanDerWaalsContact O-N 3.1Å; D1598-H1616 PolarHBondContact O-ND1 3.47Å |
| 1599 | E | 77.2 | Confident | 74.3 | Confident | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 135.2 | 179.6 | -61.1 | -177.4 | 133.3 | 0 | 0 | 114.5 | P1467 T1575 S1597 V1613 F1614 T1615 | P1467-E1599 HydrophobicContact CG-CG 3.74Å; P1467-E1599 VanDerWaalsContact CG-OE1 3.25Å; P1467-E1599 WeakPolarHBondContact CG-OE1 3.28Å; T1575-E1599 VanDerWaalsContact CG2-OE1 3.29Å; T1575-E1599 WeakPolarHBondContact CG2-OE1 3.4Å; T1575-E1599 PolarHBondContact N-OE2 3.27Å; T1575-E1599 PolarHBondContact OG1-OE1 3.31Å; T1575-E1599 PolarHBondContact OG1-OE2 3.42Å; S1597-E1599 VanDerWaalsContact C-N 3.3Å; S1597-E1599 WeakPolarHBondContact OG-CB 3.23Å; S1597-E1599 WeakPolarHBondContact OG-CG 3.14Å; S1597-E1599 PolarHBondContact OG-N 2.92Å; E1599-V1613 HydrophobicContact CB-CG1 4.3Å; E1599-V1613 HydrophobicContact CG-CG1 4.29Å; E1599-F1614 CarbonylContact C-O 3.31Å; E1599-F1614 WeakPolarHBondContact CA-O 3.42Å; E1599-T1615 HydrophobicContact CG-CG2 4.18Å |
| 1600 | L | 84.1 | Confident | 73.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 111.2 | 161.7 | 174.8 | 75.5 | 0 | 0 | 0 | 108.3 | L1591 T1593 F1614 I1634 | L1591-L1600 HydrophobicContact CB-CD1 4.25Å; L1591-L1600 HydrophobicContact CD1-CD2 4.46Å; L1591-L1600 HydrophobicContact CD2-CD2 4.4Å; L1591-L1600 HydrophobicContact CD2-CG 4.5Å; T1593-L1600 HydrophobicContact CG2-CD1 3.87Å; L1600-F1614 HydrophobicContact CB-CB 4.24Å; L1600-F1614 PolarHBondContact N-O 3.27Å; L1600-F1614 PolarHBondContact O-N 3.41Å; L1600-I1634 HydrophobicContact CD2-CD1 3.83Å |
| 1601 | G | 81.1 | Confident | 73.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 149.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1591 V1592 | L1591-G1601 WeakPolarHBondContact CA-O 3.32Å; V1592-G1601 PolarHBondContact N-O 3.04Å; V1592-G1601 PolarHBondContact O-N 3.49Å |
| 1602 | V | 84.1 | Confident | 72.6 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119 | -179.6 | -169.3 | 0 | 0 | 0 | 0 | 109.6 | I1589 L1591 T1611 D1612 F1614 | I1589-V1602 HydrophobicContact CG2-CG1 3.59Å; L1591-V1602 HydrophobicContact CD2-CB 4.36Å; L1591-V1602 HydrophobicContact CD2-CG1 4.15Å; L1591-V1602 HydrophobicContact CD2-CG2 3.69Å; V1602-T1611 PolarHBondContact O-N 2.97Å; V1602-T1611 PolarHBondContact O-OG1 3.1Å; V1602-D1612 HydrophobicContact CB-CB 4.26Å; V1602-D1612 HydrophobicContact CG2-CB 4.34Å; V1602-D1612 PolarHBondContact N-O 3.04Å; V1602-D1612 PolarHBondContact O-N 3.33Å; V1602-F1614 HydrophobicContact CG2-CD2 3.74Å; V1602-F1614 HydrophobicContact CG2-CE2 3.65Å |
| 1603 | F | 75.5 | Confident | 72.3 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148.5 | 178.8 | -67 | -105.6 | 0 | 0 | 0 | 110.8 | L1574 L1590 V1592 H1609 L1610 I1995 | L1574-F1603 HydrophobicContact CD1-CE2 4.12Å; L1574-F1603 HydrophobicContact CG-CE2 4.36Å; L1574-F1603 HydrophobicContact CG-CZ 4.34Å; L1590-F1603 HydrophobicContact CB-CB 4.27Å; L1590-F1603 PolarHBondContact N-O 3.49Å; L1590-F1603 PolarHBondContact O-N 3.26Å; V1592-F1603 HydrophobicContact CB-CD2 4.39Å; V1592-F1603 HydrophobicContact CB-CE2 4.23Å; V1592-F1603 HydrophobicContact CG2-CD2 3.54Å; V1592-F1603 HydrophobicContact CG2-CE2 3.76Å; F1603-H1609 WeakPolarHBondContact CA-O 3.39Å; F1603-L1610 HydrophobicContact CD1-CB 4.23Å; F1603-L1610 HydrophobicContact CD2-CD1 4Å; F1603-L1610 HydrophobicContact CE1-CB 3.9Å; F1603-L1610 HydrophobicContact CE1-CD1 4.16Å; F1603-L1610 HydrophobicContact CE2-CD1 3.59Å; F1603-L1610 HydrophobicContact CG-CD1 4.46Å; F1603-L1610 HydrophobicContact CZ-CB 4.22Å; F1603-L1610 HydrophobicContact CZ-CD1 3.68Å; F1603-L1610 HydrophobicContact CZ-CG 4.5Å; F1603-I1995 HydrophobicContact CD1-CD1 4.16Å; F1603-I1995 HydrophobicContact CD2-CD1 3.85Å; F1603-I1995 HydrophobicContact CE1-CD1 3.98Å; F1603-I1995 HydrophobicContact CE2-CD1 3.66Å; F1603-I1995 HydrophobicContact CG-CD1 4.1Å; F1603-I1995 HydrophobicContact CZ-CD1 3.72Å; F1603-I1995 HydrophobicContact CZ-CG1 4.31Å |
| 1604 | D | 68.5 | Low | 72 | Confident | 37 Ų | 37 | 40.9 Ų | 40.9 | 20% | 0.198 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.3 | 168.5 | 160.7 | 47.6 | 0 | 0 | 0 | 110.3 | R1606 S1607 G1608 H1609 T1611 | D1604-R1606 PolarHBondContact O-N 3.19Å; D1604-R1606 VanDerWaalsContact O-N 3.13Å; D1604-R1606 PolarHBondContact OD1-N 3.38Å; D1604-S1607 PolarHBondContact O-N 3.36Å; D1604-S1607 VanDerWaalsContact OD2-CB 3.24Å; D1604-S1607 WeakPolarHBondContact OD2-CB 3.15Å; D1604-S1607 PolarHBondContact OD2-N 2.93Å; D1604-S1607 PolarHBondContact OD2-OG 3.38Å; D1604-G1608 WeakPolarHBondContact O-CA 3.33Å; D1604-G1608 PolarHBondContact O-N 3.47Å; D1604-H1609 PolarHBondContact N-O 3.02Å; D1604-T1611 HydrophobicContact CB-CG2 3.81Å |
| 1605 | L | 66.3 | Low | 71.7 | Confident | 34 Ų | 34 | 41.6 Ų | 41.6 | 18% | 0.178 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -11.9 | -179.7 | -70 | 170.7 | 0 | 0 | 0 | 113.8 | N1588 L1590 F1981 F1987 | N1588-L1605 WeakPolarHBondContact O-CB 3.35Å; N1588-L1605 WeakPolarHBondContact O-CG 3.41Å; N1588-L1605 PolarHBondContact O-N 3.4Å; L1590-L1605 HydrophobicContact CB-CD2 3.88Å; L1590-L1605 HydrophobicContact CB-CG 4.12Å; L1590-L1605 HydrophobicContact CD2-CD2 4.18Å; L1590-L1605 HydrophobicContact CG-CD2 4.49Å; L1605-F1981 HydrophobicContact CD1-CD2 4.41Å; L1605-F1981 HydrophobicContact CD1-CE2 3.92Å; L1605-F1987 HydrophobicContact CD2-CE1 4.34Å; L1605-F1987 HydrophobicContact CD2-CE2 3.72Å; L1605-F1987 HydrophobicContact CD2-CZ 3.56Å |
| 1606 | R | 59.6 | Low | 71.7 | Confident | 185 Ų | 185 | 37 Ų | 37 | 70% | 0.698 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -41 | 177.7 | -60.5 | -177.6 | 178.7 | -162 | -2.5 | 113.7 | N1588 D1604 | N1588-R1606 HydrophobicContact CB-CG 4.48Å; N1588-R1606 VanDerWaalsContact CG-NE 3.3Å; N1588-R1606 PolarHBondContact ND2-NE 3.36Å; N1588-R1606 PolarHBondContact OD1-NE 3.26Å; N1588-R1606 PolarHBondContact OD1-NH2 3.37Å; N1588-R1606 VanDerWaalsContact OD1-NH2 3.16Å; D1604-R1606 PolarHBondContact O-N 3.19Å; D1604-R1606 VanDerWaalsContact O-N 3.13Å; D1604-R1606 PolarHBondContact OD1-N 3.38Å |
| 1607 | S | 52.1 | Low | 71.6 | Confident | 48 Ų | 48 | 37.1 Ų | 37.1 | 34% | 0.336 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -20.3 | -178.4 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | D1604 H1609 | D1604-S1607 PolarHBondContact O-N 3.36Å; D1604-S1607 VanDerWaalsContact OD2-CB 3.24Å; D1604-S1607 WeakPolarHBondContact OD2-CB 3.15Å; D1604-S1607 PolarHBondContact OD2-N 2.93Å; D1604-S1607 PolarHBondContact OD2-OG 3.38Å; S1607-H1609 PolarHBondContact O-CD2 2.8Å; S1607-H1609 VanDerWaalsContact O-CD2 3.3Å; S1607-H1609 PolarHBondContact O-N 3.45Å |
| 1608 | G | 59.3 | Low | 71.4 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 35% | 0.351 | 20% | 0.202 | S | C | . | . | trans | 72.4 | -0.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1604 | D1604-G1608 WeakPolarHBondContact O-CA 3.33Å; D1604-G1608 PolarHBondContact O-N 3.47Å | ||
| 1609 | H | 59.6 | Low | 71.6 | Confident | 70 Ų | 70 | 40.7 Ų | 40.7 | 32% | 0.324 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -86.9 | 154.2 | -178.6 | -76.8 | -79.1 | 0 | 0 | 0 | 112.9 | D1572 F1603 D1604 S1607 T1611 | D1572-H1609 IonicContact OD2-ND1 2.64Å; F1603-H1609 WeakPolarHBondContact CA-O 3.39Å; D1604-H1609 PolarHBondContact N-O 3.02Å; S1607-H1609 PolarHBondContact O-CD2 2.8Å; S1607-H1609 VanDerWaalsContact O-CD2 3.3Å; S1607-H1609 PolarHBondContact O-N 3.45Å; H1609-T1611 PolarHBondContact O-N 3.15Å |
| 1610 | L | 68.3 | Low | 71.8 | Confident | 33 Ų | 33 | 41.5 Ų | 41.5 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 112.9 | 173.3 | -179.3 | 69.4 | 0 | 0 | 0 | 109 | I1514 D1572 L1574 F1603 D1612 V1613 | I1514-L1610 HydrophobicContact CD1-CD2 4.49Å; D1572-L1610 HydrophobicContact CB-CB 3.6Å; D1572-L1610 HydrophobicContact CB-CD2 4.21Å; L1574-L1610 HydrophobicContact CD2-CD1 3.9Å; L1574-L1610 HydrophobicContact CD2-CD2 4.17Å; F1603-L1610 HydrophobicContact CD1-CB 4.23Å; F1603-L1610 HydrophobicContact CD2-CD1 4Å; F1603-L1610 HydrophobicContact CE1-CB 3.9Å; F1603-L1610 HydrophobicContact CE1-CD1 4.16Å; F1603-L1610 HydrophobicContact CE2-CD1 3.59Å; F1603-L1610 HydrophobicContact CG-CD1 4.46Å; F1603-L1610 HydrophobicContact CZ-CB 4.22Å; F1603-L1610 HydrophobicContact CZ-CD1 3.68Å; F1603-L1610 HydrophobicContact CZ-CG 4.5Å; L1610-D1612 WeakPolarHBondContact CD1-O 3.39Å; L1610-V1613 HydrophobicContact CD1-CG2 4.01Å; L1610-V1613 HydrophobicContact CD2-CG2 3.82Å; L1610-V1613 HydrophobicContact CG-CG2 4.2Å |
| 1611 | T | 71.2 | Confident | 71.4 | Confident | 86 Ų | 86 | 47.2 Ų | 47.2 | 53% | 0.528 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -32.8 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 113 | V1602 D1604 H1609 | V1602-T1611 PolarHBondContact O-N 2.97Å; V1602-T1611 PolarHBondContact O-OG1 3.1Å; D1604-T1611 HydrophobicContact CB-CG2 3.81Å; H1609-T1611 PolarHBondContact O-N 3.15Å |
| 1612 | D | 70.2 | Confident | 71.3 | Confident | 45 Ų | 45 | 48.6 Ų | 48.6 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 166.1 | 174 | -150.1 | -9.4 | 0 | 0 | 0 | 113.2 | V1602 L1610 F1614 R1655 | V1602-D1612 HydrophobicContact CB-CB 4.26Å; V1602-D1612 HydrophobicContact CG2-CB 4.34Å; V1602-D1612 PolarHBondContact N-O 3.04Å; V1602-D1612 PolarHBondContact O-N 3.33Å; L1610-D1612 WeakPolarHBondContact CD1-O 3.39Å; D1612-F1614 HydrophobicContact CB-CE2 4.01Å; D1612-R1655 IonicContact OD1-CZ 3.69Å; D1612-R1655 IonicContact OD1-NH1 3.28Å; D1612-R1655 PolarHBondContact OD1-NH1 2.94Å; D1612-R1655 IonicContact OD1-NH2 3.83Å; D1612-R1655 PolarHBondContact OD1-NH2 2.81Å; D1612-R1655 IonicContact OD2-CZ 2.76Å; D1612-R1655 VanDerWaalsContact OD2-CZ 3.23Å; D1612-R1655 IonicContact OD2-NE 2.67Å; D1612-R1655 IonicContact OD2-NH1 2.79Å; D1612-R1655 PolarHBondContact OD2-NH1 3.45Å; D1612-R1655 IonicContact OD2-NH2 3.62Å |
| 1613 | V | 77.4 | Confident | 71.4 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 13% | 0.127 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 126 | 171.3 | -177.2 | 0 | 0 | 0 | 0 | 110 | L1574 E1599 L1610 T1615 R1655 | L1574-V1613 HydrophobicContact CD2-CG2 4.2Å; E1599-V1613 HydrophobicContact CB-CG1 4.3Å; E1599-V1613 HydrophobicContact CG-CG1 4.29Å; L1610-V1613 HydrophobicContact CD1-CG2 4.01Å; L1610-V1613 HydrophobicContact CD2-CG2 3.82Å; L1610-V1613 HydrophobicContact CG-CG2 4.2Å; V1613-T1615 HydrophobicContact CG1-CG2 4.44Å; V1613-R1655 PolarHBondContact O-NH2 2.9Å |
| 1614 | F | 79.2 | Confident | 71.7 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 2% | 0.022 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.5 | 177.5 | -68.2 | -112 | 0 | 0 | 0 | 109.2 | E1599 L1600 V1602 D1612 W1650 L1652 R1655 | E1599-F1614 CarbonylContact C-O 3.31Å; E1599-F1614 WeakPolarHBondContact CA-O 3.42Å; L1600-F1614 HydrophobicContact CB-CB 4.24Å; L1600-F1614 PolarHBondContact N-O 3.27Å; L1600-F1614 PolarHBondContact O-N 3.41Å; V1602-F1614 HydrophobicContact CG2-CD2 3.74Å; V1602-F1614 HydrophobicContact CG2-CE2 3.65Å; D1612-F1614 HydrophobicContact CB-CE2 4.01Å; F1614-W1650 HydrophobicContact CD1-CD2 4Å; F1614-W1650 AromaticContact CD1-CE3 3.7Å; F1614-W1650 HydrophobicContact CD1-CE3 3.7Å; F1614-W1650 AromaticContact CD1-CH2 3.76Å; F1614-W1650 HydrophobicContact CD1-CH2 3.76Å; F1614-W1650 HydrophobicContact CD1-CZ2 4.04Å; F1614-W1650 AromaticContact CD1-CZ3 3.59Å; F1614-W1650 HydrophobicContact CD1-CZ3 3.59Å; F1614-W1650 HydrophobicContact CE1-CD2 4.23Å; F1614-W1650 AromaticContact CE1-CE3 3.6Å; F1614-W1650 HydrophobicContact CE1-CE3 3.6Å; F1614-W1650 HydrophobicContact CE1-CH2 4.29Å; F1614-W1650 AromaticContact CE1-CZ3 3.64Å; F1614-W1650 HydrophobicContact CE1-CZ3 3.64Å; F1614-L1652 HydrophobicContact CZ-CD2 4.26Å; F1614-R1655 HydrophobicContact CD1-CG 4.39Å; F1614-R1655 HydrophobicContact CE1-CB 4.41Å; F1614-R1655 HydrophobicContact CE1-CG 3.7Å; F1614-R1655 HydrophobicContact CZ-CG 4.06Å |
| 1615 | T | 74 | Confident | 72.5 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 14% | 0.141 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.7 | -178.4 | 44.3 | 0 | 0 | 0 | 0 | 111.9 | R1465 D1598 E1599 V1613 | R1465-T1615 WeakPolarHBondContact CD-OG1 3.49Å; D1598-T1615 WeakPolarHBondContact O-CA 3.26Å; E1599-T1615 HydrophobicContact CG-CG2 4.18Å; V1613-T1615 HydrophobicContact CG1-CG2 4.44Å |
| 1616 | H | 76.7 | Confident | 73.3 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 3% | 0.032 | 25% | 0.251 | C | S | . | . | trans | -106.1 | 179.2 | -169.9 | -61.5 | 90.8 | 0 | 0 | 0 | 113.1 | R1465 D1598 L1636 W1650 | R1465-H1616 PolarHBondContact NH1-O 3.03Å; R1465-H1616 PolarHBondContact NH2-O 3.09Å; R1465-H1616 VanDerWaalsContact NH2-O 3.15Å; D1598-H1616 HydrophobicContact CB-CB 4.47Å; D1598-H1616 PolarHBondContact O-N 3.48Å; D1598-H1616 VanDerWaalsContact O-N 3.1Å; D1598-H1616 PolarHBondContact O-ND1 3.47Å; H1616-L1636 HydrophobicContact CB-CD1 3.91Å; H1616-L1636 HydrophobicContact CB-CD2 3.8Å; H1616-W1650 AromaticContact CD2-NE1 3.77Å; H1616-W1650 AromaticContact NE2-CE2 3.72Å; H1616-W1650 AromaticContact NE2-CZ2 3.93Å; H1616-W1650 AromaticContact NE2-NE1 3.05Å; H1616-W1650 PolarHBondContact NE2-NE1 3.42Å | ||
| 1617 | N | 69.5 | Low | 74.1 | Confident | 120 Ų | 120 | 38.9 Ų | 38.9 | 64% | 0.642 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -98.6 | 3.5 | 174.5 | -67.6 | -10.2 | 0 | 0 | 0 | 113.2 | R1465 | R1465-N1617 PolarHBondContact NH1-OD1 2.91Å; R1465-N1617 PolarHBondContact NH2-OD1 2.88Å |
| 1618 | G | 69.5 | Low | 75.2 | Confident | 9 Ų | 9 | 38 Ų | 38 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -152.8 | 173.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1637 | G1618-S1637 CarbonylContact C-O 3.56Å; G1618-S1637 WeakPolarHBondContact CA-O 3.49Å |
| 1619 | I | 79.2 | Confident | 76 | Confident | 75 Ų | 75 | 36.7 Ų | 36.7 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 132.4 | 177.5 | -57 | 173.7 | 0 | 0 | 0 | 108.9 | Q1621 L1636 S1637 | I1619-Q1621 PolarHBondContact O-N 3.17Å; I1619-L1636 WeakPolarHBondContact O-CA 3.47Å; I1619-S1637 PolarHBondContact N-O 3.26Å; I1619-S1637 PolarHBondContact O-N 3.38Å; I1619-S1637 PolarHBondContact O-OG 3.27Å |
| 1620 | V | 82 | Confident | 77 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 110.4 | 174.9 | 175.3 | 0 | 0 | 0 | 0 | 109.6 | T1593 S1597 V1623 I1634 L1636 | T1593-V1620 HydrophobicContact CG2-CG1 4.48Å; S1597-V1620 PolarHBondContact O-N 3.24Å; V1620-V1623 HydrophobicContact CG1-CG2 3.4Å; V1620-I1634 HydrophobicContact CG1-CG2 4.08Å; V1620-I1634 HydrophobicContact CG2-CG2 4.38Å; V1620-L1636 HydrophobicContact CG2-CD2 3.88Å |
| 1621 | Q | 77 | Confident | 77.9 | Confident | 120 Ų | 120 | 38.5 Ų | 38.5 | 56% | 0.561 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93 | -42.2 | 179.2 | -68.1 | -162.7 | -8 | 0 | 0 | 113 | I1619 G1635 S1637 | I1619-Q1621 PolarHBondContact O-N 3.17Å; Q1621-G1635 PolarHBondContact N-O 3.49Å; Q1621-S1637 WeakPolarHBondContact CG-OG 3.47Å; Q1621-S1637 PolarHBondContact NE2-OG 3.3Å |
| 1622 | S | 78.3 | Confident | 78.7 | Confident | 30 Ų | 30 | 34.4 Ų | 34.4 | 21% | 0.21 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.3 | -175.3 | 57.5 | 0 | 0 | 0 | 0 | 109.9 | I1634 G1635 H1668 | S1622-I1634 VanDerWaalsContact O-CA 3.31Å; S1622-I1634 WeakPolarHBondContact O-CA 3.4Å; S1622-G1635 PolarHBondContact O-N 2.91Å; S1622-G1635 VanDerWaalsContact OG-CA 3.24Å; S1622-G1635 WeakPolarHBondContact OG-CA 3.25Å; S1622-G1635 PolarHBondContact OG-N 3.33Å; S1622-G1635 VanDerWaalsContact OG-N 3.08Å; S1622-H1668 PolarHBondContact OG-CD2 3.44Å; S1622-H1668 PolarHBondContact OG-NE2 3.38Å |
| 1623 | V | 85.3 | Confident | 79.5 | Confident | 15 Ų | 15 | 32.3 Ų | 32.3 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 127.2 | 172.8 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | I1582 L1591 T1593 V1620 L1633 I1634 | I1582-V1623 HydrophobicContact CD1-CB 3.73Å; I1582-V1623 HydrophobicContact CD1-CG1 3.84Å; L1591-V1623 HydrophobicContact CD1-CG1 4.39Å; T1593-V1623 HydrophobicContact CG2-CB 4.39Å; T1593-V1623 HydrophobicContact CG2-CG2 3.82Å; V1620-V1623 HydrophobicContact CG1-CG2 3.4Å; V1623-L1633 CarbonylContact C-O 3.53Å; V1623-L1633 WeakPolarHBondContact CA-O 3.44Å; V1623-I1634 HydrophobicContact CG1-CG1 4.41Å; V1623-I1634 HydrophobicContact CG2-CG1 4.28Å; V1623-I1634 HydrophobicContact CG2-CG2 4.35Å |
| 1624 | V | 83.5 | Confident | 80 | Confident | 25 Ų | 25 | 31.3 Ų | 31.3 | 15% | 0.152 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121.4 | 174 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | A1632 L1633 H1668 E1670 F1678 | V1624-A1632 CarbonylContact O-C 3.48Å; V1624-A1632 WeakPolarHBondContact O-CA 3.42Å; V1624-L1633 PolarHBondContact N-O 3.44Å; V1624-L1633 PolarHBondContact O-N 3.45Å; V1624-H1668 HydrophobicContact CB-CB 4.42Å; V1624-H1668 HydrophobicContact CG2-CB 3.63Å; V1624-E1670 HydrophobicContact CG1-CB 3.77Å; V1624-F1678 HydrophobicContact CG1-CD1 4.06Å; V1624-F1678 HydrophobicContact CG1-CE1 4.08Å |
| 1625 | L | 84.1 | Confident | 80.2 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 149.7 | 170.1 | -93.9 | 166.7 | 0 | 0 | 0 | 110.3 | I1582 L1591 A1632 L1652 E1670 | I1582-L1625 HydrophobicContact CG2-CD1 4.06Å; L1591-L1625 HydrophobicContact CD1-CD1 3.88Å; L1591-L1625 HydrophobicContact CD1-CD2 3.86Å; L1591-L1625 HydrophobicContact CD1-CG 3.73Å; L1591-L1625 HydrophobicContact CG-CD1 4.13Å; L1625-A1632 HydrophobicContact CD2-CB 4.48Å; L1625-L1652 HydrophobicContact CD2-CD1 3.89Å; L1625-E1670 VanDerWaalsContact O-CD 3.26Å |
| 1626 | S | 83.9 | Confident | 80.7 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | trans | -81.2 | 152.2 | 166.7 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | C1628 G1629 Y1631 | S1626-C1628 PolarHBondContact O-N 3.2Å; S1626-G1629 PolarHBondContact O-N 3Å; S1626-Y1631 WeakPolarHBondContact CB-O 3.48Å; S1626-Y1631 PolarHBondContact N-O 3.4Å; S1626-Y1631 PolarHBondContact OG-N 3.47Å; S1626-Y1631 VanDerWaalsContact OG-N 3.07Å; S1626-Y1631 PolarHBondContact OG-O 3.36Å | ||
| 1627 | S | 75.2 | Confident | 80.6 | Confident | 22 Ų | 22 | 30.8 Ų | 30.8 | 15% | 0.154 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 2.3 | 179.9 | 47.7 | 0 | 0 | 0 | 0 | 115.7 | S1586 E1670 R1671 K1675 | S1586-S1627 PolarHBondContact OG-O 3.4Å; S1627-E1670 WeakPolarHBondContact CA-OE1 3.3Å; S1627-E1670 WeakPolarHBondContact CB-OE1 3.2Å; S1627-E1670 PolarHBondContact N-OE1 3.2Å; S1627-R1671 PolarHBondContact OG-O 3.48Å; S1627-K1675 WeakPolarHBondContact OG-CA 3.22Å |
| 1628 | C | 75.1 | Confident | 80.5 | Confident | 30 Ų | 30 | 27.3 Ų | 27.3 | 20% | 0.203 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | 11.6 | 171.1 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | S1586 S1626 K1630 K1675 | S1586-C1628 WeakPolarHBondContact OG-CA 3.38Å; S1626-C1628 PolarHBondContact O-N 3.2Å; C1628-K1630 PolarHBondContact O-N 3.13Å; C1628-K1675 HydrophobicContact CB-CB 4.39Å; C1628-K1675 HydrophobicContact CB-CD 4.29Å; C1628-K1675 HydrophobicContact CB-CG 4.24Å |
| 1629 | G | 76.3 | Confident | 79.9 | Confident | 6 Ų | 6 | 32.2 Ų | 32.2 | 6% | 0.062 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 67 | 4.8 | 172 | 0 | 0 | 0 | 0 | 0 | 116.9 | S1626 | S1626-G1629 PolarHBondContact O-N 3Š|
| 1630 | K | 82 | Confident | 78.6 | Confident | 122 Ų | 122 | 36.6 Ų | 36.6 | 53% | 0.53 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -98.3 | -34.9 | -173.9 | -66.5 | -164.9 | 177.1 | -165.8 | 0 | 114.5 | C1628 L1652 | C1628-K1630 PolarHBondContact O-N 3.13Å; K1630-L1652 PolarHBondContact O-N 3.47Å |
| 1631 | Y | 86.3 | Confident | 77.1 | Confident | 19 Ų | 19 | 44 Ų | 44 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141.8 | -178.2 | -54.4 | -60.9 | 0 | 0 | 0 | 110.9 | S1626 W1650 D1651 I1703 N1711 | S1626-Y1631 WeakPolarHBondContact CB-O 3.48Å; S1626-Y1631 PolarHBondContact N-O 3.4Å; S1626-Y1631 PolarHBondContact OG-N 3.47Å; S1626-Y1631 VanDerWaalsContact OG-N 3.07Å; S1626-Y1631 PolarHBondContact OG-O 3.36Å; Y1631-W1650 VanDerWaalsContact CA-O 3.26Å; Y1631-W1650 WeakPolarHBondContact CA-O 3.4Å; Y1631-D1651 HydrophobicContact CD1-CB 4.26Å; Y1631-D1651 HydrophobicContact CE1-CB 4.11Å; Y1631-I1703 HydrophobicContact CD1-CD1 4.06Å; Y1631-I1703 HydrophobicContact CD2-CD1 3.5Å; Y1631-I1703 VanDerWaalsContact CD2-CD1 3.5Å; Y1631-I1703 HydrophobicContact CD2-CG2 4.46Å; Y1631-I1703 HydrophobicContact CE2-CB 4.42Å; Y1631-I1703 HydrophobicContact CE2-CD1 4.02Å; Y1631-I1703 HydrophobicContact CE2-CG2 3.88Å; Y1631-I1703 HydrophobicContact CG-CD1 3.5Å; Y1631-N1711 PolarHBondContact OH-ND2 2.83Å |
| 1632 | A | 87.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.1 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | L1591 V1624 L1625 I1634 I1649 W1650 L1652 | L1591-A1632 HydrophobicContact CD1-CB 4.39Å; V1624-A1632 CarbonylContact O-C 3.48Å; V1624-A1632 WeakPolarHBondContact O-CA 3.42Å; L1625-A1632 HydrophobicContact CD2-CB 4.48Å; A1632-I1634 HydrophobicContact CB-CG1 4.49Å; A1632-I1649 WeakPolarHBondContact O-CA 3.41Å; A1632-W1650 PolarHBondContact N-O 2.96Å; A1632-W1650 PolarHBondContact O-N 3.23Å; A1632-L1652 HydrophobicContact CB-CD1 4.39Å; A1632-L1652 HydrophobicContact CB-CD2 4.42Å |
| 1633 | L | 87.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 125.7 | 170.8 | 174.9 | 61.9 | 0 | 0 | 0 | 108.1 | V1623 V1624 L1648 I1649 Y1661 H1668 F1678 | V1623-L1633 CarbonylContact C-O 3.53Å; V1623-L1633 WeakPolarHBondContact CA-O 3.44Å; V1624-L1633 PolarHBondContact N-O 3.44Å; V1624-L1633 PolarHBondContact O-N 3.45Å; L1633-L1648 CarbonylContact C-O 3.52Å; L1633-L1648 WeakPolarHBondContact CA-O 3.26Å; L1633-I1649 HydrophobicContact CD1-CG1 3.9Å; L1633-Y1661 HydrophobicContact CD1-CE1 4.36Å; L1633-H1668 HydrophobicContact CD2-CB 3.91Å; L1633-F1678 HydrophobicContact CB-CD1 4.14Å; L1633-F1678 HydrophobicContact CB-CE1 3.96Å; L1633-F1678 HydrophobicContact CB-CE2 4.49Å; L1633-F1678 HydrophobicContact CB-CG 4.47Å; L1633-F1678 HydrophobicContact CB-CZ 4.14Å; L1633-F1678 HydrophobicContact CD2-CB 4.01Å; L1633-F1678 HydrophobicContact CD2-CD1 4.15Å; L1633-F1678 HydrophobicContact CD2-CG 4.02Å |
| 1634 | I | 87.2 | Confident | 73 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 123.3 | -172.5 | -55.5 | -171 | 0 | 0 | 0 | 110.1 | L1600 V1620 S1622 V1623 A1632 L1636 L1648 W1650 | L1600-I1634 HydrophobicContact CD2-CD1 3.83Å; V1620-I1634 HydrophobicContact CG1-CG2 4.08Å; V1620-I1634 HydrophobicContact CG2-CG2 4.38Å; S1622-I1634 VanDerWaalsContact O-CA 3.31Å; S1622-I1634 WeakPolarHBondContact O-CA 3.4Å; V1623-I1634 HydrophobicContact CG1-CG1 4.41Å; V1623-I1634 HydrophobicContact CG2-CG1 4.28Å; V1623-I1634 HydrophobicContact CG2-CG2 4.35Å; A1632-I1634 HydrophobicContact CB-CG1 4.49Å; I1634-L1636 HydrophobicContact CG2-CD2 3.85Å; I1634-L1636 HydrophobicContact CG2-CG 4.4Å; I1634-L1648 HydrophobicContact CB-CB 4.46Å; I1634-L1648 PolarHBondContact N-O 3.47Å; I1634-L1648 PolarHBondContact O-N 2.93Å; I1634-W1650 HydrophobicContact CD1-CG 4.48Å |
| 1635 | G | 85.3 | Confident | 72.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1621 S1622 | Q1621-G1635 PolarHBondContact N-O 3.49Å; S1622-G1635 PolarHBondContact O-N 2.91Å; S1622-G1635 VanDerWaalsContact OG-CA 3.24Å; S1622-G1635 WeakPolarHBondContact OG-CA 3.25Å; S1622-G1635 PolarHBondContact OG-N 3.33Å; S1622-G1635 VanDerWaalsContact OG-N 3.08Å |
| 1636 | L | 83.3 | Confident | 71.9 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 140.3 | 177.8 | -63.1 | -174.3 | 0 | 0 | 0 | 111.8 | H1616 I1619 V1620 I1634 N1645 A1646 L1648 | H1616-L1636 HydrophobicContact CB-CD1 3.91Å; H1616-L1636 HydrophobicContact CB-CD2 3.8Å; I1619-L1636 WeakPolarHBondContact O-CA 3.47Å; V1620-L1636 HydrophobicContact CG2-CD2 3.88Å; I1634-L1636 HydrophobicContact CG2-CD2 3.85Å; I1634-L1636 HydrophobicContact CG2-CG 4.4Å; L1636-N1645 WeakPolarHBondContact O-CA 3.19Å; L1636-A1646 PolarHBondContact N-O 3.27Å; L1636-A1646 PolarHBondContact O-N 3.15Å; L1636-L1648 HydrophobicContact CD1-CD1 3.5Å; L1636-L1648 HydrophobicContact CD1-CG 4.08Å; L1636-L1648 HydrophobicContact CG-CD1 4.18Å; L1636-L1648 HydrophobicContact CG-CG 4.44Å |
| 1637 | S | 74.4 | Confident | 71.9 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 13% | 0.133 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.9 | 162.3 | 50 | 0 | 0 | 0 | 0 | 111.1 | G1618 I1619 Q1621 N1645 | G1618-S1637 CarbonylContact C-O 3.56Å; G1618-S1637 WeakPolarHBondContact CA-O 3.49Å; I1619-S1637 PolarHBondContact N-O 3.26Å; I1619-S1637 PolarHBondContact O-N 3.38Å; I1619-S1637 PolarHBondContact O-OG 3.27Å; Q1621-S1637 WeakPolarHBondContact CG-OG 3.47Å; Q1621-S1637 PolarHBondContact NE2-OG 3.3Å; S1637-N1645 WeakPolarHBondContact CA-OD1 3.36Å; S1637-N1645 VanDerWaalsContact CB-OD1 3.3Å; S1637-N1645 WeakPolarHBondContact CB-OD1 3.48Å |
| 1638 | V | 67.5 | Low | 72.4 | Confident | 46 Ų | 46 | 55.6 Ų | 55.6 | 28% | 0.279 | 29% | 0.285 | S | S | . | . | trans | -82.1 | 163.4 | 173 | -173.7 | 0 | 0 | 0 | 0 | 108.9 | E1644 | V1638-E1644 WeakPolarHBondContact CB-O 3.28Å; V1638-E1644 VanDerWaalsContact CG2-O 3.27Å; V1638-E1644 WeakPolarHBondContact CG2-O 3.46Å | ||
| 1639 | N | 57.2 | Low | 73 | Confident | 112 Ų | 112 | 54.2 Ų | 54.2 | 60% | 0.599 | 28% | 0.276 | S | S | * | . | trans | -56.6 | 142.7 | -168.5 | -158.5 | 15.5 | 0 | 0 | 0 | 113.2 | Q1641 T1642 | N1639-Q1641 PolarHBondContact O-N 3.13Å; N1639-T1642 PolarHBondContact O-N 3.08Å; N1639-T1642 PolarHBondContact O-OG1 3.19Å | ||
| 1640 | N | 51.7 | Low | 73.5 | Confident | 167 Ų | 167 | 55.1 Ų | 55.1 | 89% | 0.893 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 2.4 | -170.9 | -64.4 | 15.5 | 0 | 0 | 0 | 117.5 | ||
| 1641 | Q | 50 | Low | 73.7 | Confident | 177 Ų | 177 | 49.6 Ų | 49.6 | 83% | 0.827 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -4.7 | 178.7 | -65.5 | 178.4 | -34.8 | 0 | 0 | 112.9 | N1639 | N1639-Q1641 PolarHBondContact O-N 3.13Š|
| 1642 | T | 44.9 | Very low | 73.5 | Confident | 75 Ų | 75 | 50 Ų | 50 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -140.2 | 117.5 | 178.3 | 47.9 | 0 | 0 | 0 | 0 | 108.5 | N1639 E1644 | N1639-T1642 PolarHBondContact O-N 3.08Å; N1639-T1642 PolarHBondContact O-OG1 3.19Å; T1642-E1644 PolarHBondContact O-N 2.93Å |
| 1643 | E | 52 | Low | 73 | Confident | 187 Ų | 187 | 54.2 Ų | 54.2 | 87% | 0.874 | 29% | 0.286 | S | S | * | . | trans | -74.2 | 15.8 | -167.6 | -57 | -172.9 | 133.3 | 0 | 0 | 115.3 | N1645 | E1643-N1645 PolarHBondContact O-N 3.49Š| ||
| 1644 | E | 58.5 | Low | 72.4 | Confident | 136 Ų | 136 | 59.5 Ų | 59.5 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | trans | -91.6 | 85.5 | -172.8 | -63.7 | -177.2 | 169.1 | 0 | 0 | 111.3 | V1638 T1642 | V1638-E1644 WeakPolarHBondContact CB-O 3.28Å; V1638-E1644 VanDerWaalsContact CG2-O 3.27Å; V1638-E1644 WeakPolarHBondContact CG2-O 3.46Å; T1642-E1644 PolarHBondContact O-N 2.93Å | ||
| 1645 | N | 66.4 | Low | 71.9 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 27% | 0.267 | 33% | 0.332 | S | S | . | . | trans | -77.4 | 146 | 160.8 | -55.9 | -79.5 | 0 | 0 | 0 | 109 | L1636 S1637 E1643 N1663 V1665 | L1636-N1645 WeakPolarHBondContact O-CA 3.19Å; S1637-N1645 WeakPolarHBondContact CA-OD1 3.36Å; S1637-N1645 VanDerWaalsContact CB-OD1 3.3Å; S1637-N1645 WeakPolarHBondContact CB-OD1 3.48Å; E1643-N1645 PolarHBondContact O-N 3.49Å; N1645-N1663 CarbonylContact O-C 3.58Å; N1645-N1663 WeakPolarHBondContact O-CA 3.44Å; N1645-V1665 HydrophobicContact CB-CG2 4.25Å | ||
| 1646 | A | 78 | Confident | 71.6 | Confident | 12 Ų | 12 | 70.3 Ų | 70.3 | 10% | 0.099 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1636 E1660 | L1636-A1646 PolarHBondContact N-O 3.27Å; L1636-A1646 PolarHBondContact O-N 3.15Å; A1646-E1660 HydrophobicContact CB-CG 4.36Å |
| 1647 | N | 83.3 | Confident | 71.4 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.3 | 174.9 | -49.6 | -89.9 | 0 | 0 | 0 | 109.9 | E1660 Y1661 Q1664 H1668 H1680 | N1647-E1660 WeakPolarHBondContact O-CA 3.15Å; N1647-Y1661 HydrophobicContact CB-CD1 4.21Å; N1647-Y1661 HydrophobicContact CB-CE1 3.9Å; N1647-Y1661 HydrophobicContact CB-CE2 4.33Å; N1647-Y1661 VanDerWaalsContact CB-O 3.29Å; N1647-Y1661 WeakPolarHBondContact CB-O 3.13Å; N1647-Y1661 PolarHBondContact N-O 3.25Å; N1647-Y1661 PolarHBondContact ND2-O 3.4Å; N1647-Y1661 WeakPolarHBondContact O-CD1 3.33Å; N1647-Y1661 PolarHBondContact O-N 3.03Å; N1647-Q1664 PolarHBondContact ND2-O 3.5Å; N1647-H1668 PolarHBondContact OD1-CE1 3.15Å; N1647-H1680 PolarHBondContact ND2-NE2 2.7Å; N1647-H1680 PolarHBondContact OD1-NE2 2.81Å |
| 1648 | L | 86.8 | Confident | 71.8 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 2% | 0.021 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.6 | -178.4 | -59.7 | -175 | 0 | 0 | 0 | 111.9 | L1633 I1634 L1636 I1657 E1660 | L1633-L1648 CarbonylContact C-O 3.52Å; L1633-L1648 WeakPolarHBondContact CA-O 3.26Å; I1634-L1648 HydrophobicContact CB-CB 4.46Å; I1634-L1648 PolarHBondContact N-O 3.47Å; I1634-L1648 PolarHBondContact O-N 2.93Å; L1636-L1648 HydrophobicContact CD1-CD1 3.5Å; L1636-L1648 HydrophobicContact CD1-CG 4.08Å; L1636-L1648 HydrophobicContact CG-CD1 4.18Å; L1636-L1648 HydrophobicContact CG-CG 4.44Å; L1648-I1657 HydrophobicContact CD1-CD1 4.04Å; L1648-I1657 HydrophobicContact CD2-CD1 4.36Å; L1648-I1657 HydrophobicContact CD2-CG2 4.16Å; L1648-E1660 HydrophobicContact CD2-CB 3.57Å; L1648-E1660 VanDerWaalsContact CD2-CD 3.49Å; L1648-E1660 HydrophobicContact CD2-CG 3.5Å |
| 1649 | I | 87.2 | Confident | 72.4 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 117.7 | 165.4 | -60.1 | 173.6 | 0 | 0 | 0 | 108.4 | A1632 L1633 I1657 V1658 V1659 Y1661 V1701 I1703 A1713 | A1632-I1649 WeakPolarHBondContact O-CA 3.41Å; L1633-I1649 HydrophobicContact CD1-CG1 3.9Å; I1649-I1657 CarbonylContact O-C 3.55Å; I1649-V1658 HydrophobicContact CB-CB 4.2Å; I1649-V1658 HydrophobicContact CG2-CB 3.98Å; I1649-V1658 HydrophobicContact CG2-CG2 4.22Å; I1649-V1658 WeakPolarHBondContact O-CB 3.38Å; I1649-V1658 PolarHBondContact O-N 2.8Å; I1649-V1659 PolarHBondContact N-O 3.01Å; I1649-Y1661 HydrophobicContact CD1-CE1 4.29Å; I1649-Y1661 HydrophobicContact CG1-CE1 4.38Å; I1649-V1701 HydrophobicContact CD1-CG1 3.83Å; I1649-I1703 HydrophobicContact CG2-CD1 3.73Å; I1649-A1713 HydrophobicContact CD1-CB 3.83Å |
| 1650 | W | 86.6 | Confident | 73.6 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139.9 | 175.3 | -82.4 | 93.5 | 0 | 0 | 0 | 112.6 | F1614 H1616 Y1631 A1632 I1634 L1652 R1655 I1657 | F1614-W1650 HydrophobicContact CD1-CD2 4Å; F1614-W1650 AromaticContact CD1-CE3 3.7Å; F1614-W1650 HydrophobicContact CD1-CE3 3.7Å; F1614-W1650 AromaticContact CD1-CH2 3.76Å; F1614-W1650 HydrophobicContact CD1-CH2 3.76Å; F1614-W1650 HydrophobicContact CD1-CZ2 4.04Å; F1614-W1650 AromaticContact CD1-CZ3 3.59Å; F1614-W1650 HydrophobicContact CD1-CZ3 3.59Å; F1614-W1650 HydrophobicContact CE1-CD2 4.23Å; F1614-W1650 AromaticContact CE1-CE3 3.6Å; F1614-W1650 HydrophobicContact CE1-CE3 3.6Å; F1614-W1650 HydrophobicContact CE1-CH2 4.29Å; F1614-W1650 AromaticContact CE1-CZ3 3.64Å; F1614-W1650 HydrophobicContact CE1-CZ3 3.64Å; H1616-W1650 AromaticContact CD2-NE1 3.77Å; H1616-W1650 AromaticContact NE2-CE2 3.72Å; H1616-W1650 AromaticContact NE2-CZ2 3.93Å; H1616-W1650 AromaticContact NE2-NE1 3.05Å; H1616-W1650 PolarHBondContact NE2-NE1 3.42Å; Y1631-W1650 VanDerWaalsContact CA-O 3.26Å; Y1631-W1650 WeakPolarHBondContact CA-O 3.4Å; A1632-W1650 PolarHBondContact N-O 2.96Å; A1632-W1650 PolarHBondContact O-N 3.23Å; I1634-W1650 HydrophobicContact CD1-CG 4.48Å; W1650-L1652 HydrophobicContact CB-CD2 4.48Å; W1650-R1655 HydrophobicContact CZ3-CG 4.3Å; W1650-I1657 HydrophobicContact CD2-CG1 3.95Å; W1650-I1657 HydrophobicContact CE3-CG1 4.18Å; W1650-I1657 HydrophobicContact CH2-CD1 4.44Å; W1650-I1657 HydrophobicContact CH2-CG1 4.03Å; W1650-I1657 HydrophobicContact CZ2-CD1 4.04Å; W1650-I1657 HydrophobicContact CZ2-CG1 3.78Å; W1650-I1657 HydrophobicContact CZ3-CG1 4.21Å |
| 1651 | D | 85.9 | Confident | 74.9 | Confident | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.027 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 101.7 | 157 | -174.5 | -32.2 | 0 | 0 | 0 | 108.3 | Y1631 S1653 K1654 R1655 L1656 V1658 N1711 | Y1631-D1651 HydrophobicContact CD1-CB 4.26Å; Y1631-D1651 HydrophobicContact CE1-CB 4.11Å; D1651-S1653 PolarHBondContact O-N 3.11Å; D1651-S1653 WeakPolarHBondContact OD1-CA 3.5Å; D1651-S1653 WeakPolarHBondContact OD1-CB 3.39Å; D1651-S1653 PolarHBondContact OD1-N 2.9Å; D1651-S1653 PolarHBondContact OD1-OG 3.08Å; D1651-K1654 HydrophobicContact CB-CB 4.31Å; D1651-K1654 PolarHBondContact O-N 2.87Å; D1651-K1654 PolarHBondContact OD1-N 3.03Å; D1651-K1654 VanDerWaalsContact OD1-N 3.09Å; D1651-K1654 WeakPolarHBondContact OD2-CD 3.22Å; D1651-K1654 WeakPolarHBondContact OD2-CE 3.22Å; D1651-K1654 WeakPolarHBondContact OD2-CG 3.49Å; D1651-K1654 IonicContact OD2-NZ 2.81Å; D1651-K1654 PolarHBondContact OD2-NZ 2.99Å; D1651-R1655 PolarHBondContact O-N 3.38Å; D1651-L1656 PolarHBondContact N-O 2.7Å; D1651-L1656 PolarHBondContact O-N 3.44Å; D1651-V1658 HydrophobicContact CB-CG2 3.94Å; D1651-N1711 PolarHBondContact OD2-ND2 3.33Å |
| 1652 | L | 82.5 | Confident | 75.8 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.1 | -177.5 | -62.4 | 173.3 | 0 | 0 | 0 | 112.4 | L1591 F1614 L1625 K1630 A1632 W1650 | L1591-L1652 HydrophobicContact CD1-CD1 4.24Å; L1591-L1652 HydrophobicContact CD2-CD1 4.42Å; L1591-L1652 HydrophobicContact CD2-CD2 4.48Å; F1614-L1652 HydrophobicContact CZ-CD2 4.26Å; L1625-L1652 HydrophobicContact CD2-CD1 3.89Å; K1630-L1652 PolarHBondContact O-N 3.47Å; A1632-L1652 HydrophobicContact CB-CD1 4.39Å; A1632-L1652 HydrophobicContact CB-CD2 4.42Å; W1650-L1652 HydrophobicContact CB-CD2 4.48Å |
| 1653 | S | 77.4 | Confident | 76.9 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 63% | 0.629 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -24.5 | -177.8 | 70.7 | 0 | 0 | 0 | 0 | 113.8 | D1651 | D1651-S1653 PolarHBondContact O-N 3.11Å; D1651-S1653 WeakPolarHBondContact OD1-CA 3.5Å; D1651-S1653 WeakPolarHBondContact OD1-CB 3.39Å; D1651-S1653 PolarHBondContact OD1-N 2.9Å; D1651-S1653 PolarHBondContact OD1-OG 3.08Å |
| 1654 | K | 74.8 | Confident | 77.6 | Confident | 110 Ų | 110 | 57.3 Ų | 57.3 | 48% | 0.478 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -11.9 | 177.2 | -61.1 | 178.7 | -166.6 | 162.9 | 0 | 113.7 | D1651 L1656 N1711 | D1651-K1654 HydrophobicContact CB-CB 4.31Å; D1651-K1654 PolarHBondContact O-N 2.87Å; D1651-K1654 PolarHBondContact OD1-N 3.03Å; D1651-K1654 VanDerWaalsContact OD1-N 3.09Å; D1651-K1654 WeakPolarHBondContact OD2-CD 3.22Å; D1651-K1654 WeakPolarHBondContact OD2-CE 3.22Å; D1651-K1654 WeakPolarHBondContact OD2-CG 3.49Å; D1651-K1654 IonicContact OD2-NZ 2.81Å; D1651-K1654 PolarHBondContact OD2-NZ 2.99Å; K1654-L1656 VanDerWaalsContact C-N 3.29Å; K1654-L1656 HydrophobicContact CB-CB 4.21Å; K1654-L1656 HydrophobicContact CB-CD1 3.91Å; K1654-L1656 HydrophobicContact CB-CG 3.96Å; K1654-L1656 HydrophobicContact CD-CD1 4.19Å; K1654-L1656 PolarHBondContact O-N 3.1Å; K1654-N1711 PolarHBondContact NZ-ND2 2.85Å |
| 1655 | R | 77 | Confident | 78 | Confident | 128 Ų | 128 | 52.6 Ų | 52.6 | 48% | 0.483 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 44.3 | -167.6 | -155.8 | -166.5 | -165.9 | 116.6 | 9 | 111.8 | D1612 V1613 F1614 W1650 D1651 | D1612-R1655 IonicContact OD1-CZ 3.69Å; D1612-R1655 IonicContact OD1-NH1 3.28Å; D1612-R1655 PolarHBondContact OD1-NH1 2.94Å; D1612-R1655 IonicContact OD1-NH2 3.83Å; D1612-R1655 PolarHBondContact OD1-NH2 2.81Å; D1612-R1655 IonicContact OD2-CZ 2.76Å; D1612-R1655 VanDerWaalsContact OD2-CZ 3.23Å; D1612-R1655 IonicContact OD2-NE 2.67Å; D1612-R1655 IonicContact OD2-NH1 2.79Å; D1612-R1655 PolarHBondContact OD2-NH1 3.45Å; D1612-R1655 IonicContact OD2-NH2 3.62Å; V1613-R1655 PolarHBondContact O-NH2 2.9Å; F1614-R1655 HydrophobicContact CD1-CG 4.39Å; F1614-R1655 HydrophobicContact CE1-CB 4.41Å; F1614-R1655 HydrophobicContact CE1-CG 3.7Å; F1614-R1655 HydrophobicContact CZ-CG 4.06Å; W1650-R1655 HydrophobicContact CZ3-CG 4.3Å; D1651-R1655 PolarHBondContact O-N 3.38Å |
| 1656 | L | 78.4 | Confident | 78 | Confident | 100 Ų | 100 | 50.8 Ų | 50.8 | 52% | 0.524 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 143.4 | -179.6 | -68.6 | 176.2 | 0 | 0 | 0 | 111.7 | D1651 K1654 | D1651-L1656 PolarHBondContact N-O 2.7Å; D1651-L1656 PolarHBondContact O-N 3.44Å; K1654-L1656 VanDerWaalsContact C-N 3.29Å; K1654-L1656 HydrophobicContact CB-CB 4.21Å; K1654-L1656 HydrophobicContact CB-CD1 3.91Å; K1654-L1656 HydrophobicContact CB-CG 3.96Å; K1654-L1656 HydrophobicContact CD-CD1 4.19Å; K1654-L1656 PolarHBondContact O-N 3.1Å |
| 1657 | I | 79.2 | Confident | 77.8 | Confident | 77 Ų | 77 | 53 Ų | 53 | 40% | 0.395 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 133.5 | 163 | -61.8 | 168.9 | 0 | 0 | 0 | 107.6 | L1648 I1649 W1650 | L1648-I1657 HydrophobicContact CD1-CD1 4.04Å; L1648-I1657 HydrophobicContact CD2-CD1 4.36Å; L1648-I1657 HydrophobicContact CD2-CG2 4.16Å; I1649-I1657 CarbonylContact O-C 3.55Å; W1650-I1657 HydrophobicContact CD2-CG1 3.95Å; W1650-I1657 HydrophobicContact CE3-CG1 4.18Å; W1650-I1657 HydrophobicContact CH2-CD1 4.44Å; W1650-I1657 HydrophobicContact CH2-CG1 4.03Å; W1650-I1657 HydrophobicContact CZ2-CD1 4.04Å; W1650-I1657 HydrophobicContact CZ2-CG1 3.78Å; W1650-I1657 HydrophobicContact CZ3-CG1 4.21Å |
| 1658 | V | 81.8 | Confident | 77.6 | Confident | 32 Ų | 32 | 54 Ų | 54 | 19% | 0.194 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -47.5 | -176.5 | -177 | 0 | 0 | 0 | 0 | 110.5 | I1649 D1651 N1711 | I1649-V1658 HydrophobicContact CB-CB 4.2Å; I1649-V1658 HydrophobicContact CG2-CB 3.98Å; I1649-V1658 HydrophobicContact CG2-CG2 4.22Å; I1649-V1658 WeakPolarHBondContact O-CB 3.38Å; I1649-V1658 PolarHBondContact O-N 2.8Å; D1651-V1658 HydrophobicContact CB-CG2 3.94Å; V1658-N1711 HydrophobicContact CG1-CB 3.84Å; V1658-N1711 WeakPolarHBondContact CG1-O 3.48Å |
| 1659 | V | 81.7 | Confident | 77.1 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 26% | 0.255 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 145.4 | 172.6 | 176.2 | 0 | 0 | 0 | 0 | 108.8 | I1649 Y1661 A1713 | I1649-V1659 PolarHBondContact N-O 3.01Å; V1659-Y1661 HydrophobicContact CG1-CD1 3.97Å; V1659-Y1661 HydrophobicContact CG1-CG 4.47Å; V1659-A1713 HydrophobicContact CB-CB 4.42Å; V1659-A1713 HydrophobicContact CG2-CB 3.77Å |
| 1660 | E | 80.6 | Confident | 76.5 | Confident | 124 Ų | 124 | 58.2 Ų | 58.2 | 58% | 0.579 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.1 | 167.7 | 175.1 | 160.1 | -148.2 | 0 | 0 | 107.7 | A1646 N1647 L1648 | A1646-E1660 HydrophobicContact CB-CG 4.36Å; N1647-E1660 WeakPolarHBondContact O-CA 3.15Å; L1648-E1660 HydrophobicContact CD2-CB 3.57Å; L1648-E1660 VanDerWaalsContact CD2-CD 3.49Å; L1648-E1660 HydrophobicContact CD2-CG 3.5Å |
| 1661 | Y | 80.2 | Confident | 75.8 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 12% | 0.122 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 154.2 | -173.9 | 72.9 | -79.6 | 0 | 0 | 0 | 115.1 | L1633 N1647 I1649 V1659 H1680 I1715 | L1633-Y1661 HydrophobicContact CD1-CE1 4.36Å; N1647-Y1661 HydrophobicContact CB-CD1 4.21Å; N1647-Y1661 HydrophobicContact CB-CE1 3.9Å; N1647-Y1661 HydrophobicContact CB-CE2 4.33Å; N1647-Y1661 VanDerWaalsContact CB-O 3.29Å; N1647-Y1661 WeakPolarHBondContact CB-O 3.13Å; N1647-Y1661 PolarHBondContact N-O 3.25Å; N1647-Y1661 PolarHBondContact ND2-O 3.4Å; N1647-Y1661 WeakPolarHBondContact O-CD1 3.33Å; N1647-Y1661 PolarHBondContact O-N 3.03Å; I1649-Y1661 HydrophobicContact CD1-CE1 4.29Å; I1649-Y1661 HydrophobicContact CG1-CE1 4.38Å; V1659-Y1661 HydrophobicContact CG1-CD1 3.97Å; V1659-Y1661 HydrophobicContact CG1-CG 4.47Å; Y1661-H1680 AromaticContact CD2-CE1 3.97Å; Y1661-H1680 AromaticContact CE2-CE1 2.75Å; Y1661-H1680 WeakPolarHBondContact CE2-CE1 3.33Å; Y1661-H1680 AromaticContact CE2-ND1 3.56Å; Y1661-H1680 AromaticContact CE2-NE2 3.74Å; Y1661-H1680 AromaticContact CZ-CE1 3.21Å; Y1661-H1680 AromaticContact CZ-ND1 3.87Å; Y1661-H1680 PolarHBondContact OH-CE1 2.93Å; Y1661-H1680 PolarHBondContact OH-ND1 3.5Å; Y1661-I1715 HydrophobicContact CD1-CD1 4.07Å; Y1661-I1715 HydrophobicContact CD2-CD1 3.49Å; Y1661-I1715 VanDerWaalsContact CD2-CD1 3.49Å; Y1661-I1715 HydrophobicContact CE1-CD1 4.27Å; Y1661-I1715 HydrophobicContact CE2-CD1 3.74Å; Y1661-I1715 HydrophobicContact CG-CD1 3.67Å |
| 1662 | G | 68.2 | Low | 74.8 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | trans | 74.7 | 146.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1663 | N | 67.9 | Low | 73.9 | Confident | 121 Ų | 121 | 65.7 Ų | 65.7 | 65% | 0.647 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -94.6 | 3.8 | -176 | -61 | 35.2 | 0 | 0 | 0 | 113.2 | N1645 | N1645-N1663 CarbonylContact O-C 3.58Å; N1645-N1663 WeakPolarHBondContact O-CA 3.44Å |
| 1664 | Q | 66.2 | Low | 73.4 | Confident | 61 Ų | 61 | 66 Ų | 66 | 29% | 0.285 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -141.9 | 146.6 | -176.3 | -67.3 | -174.2 | -9.2 | 0 | 0 | 110 | N1647 | N1647-Q1664 PolarHBondContact ND2-O 3.5Š|
| 1665 | V | 68.1 | Low | 73.2 | Confident | 37 Ų | 37 | 67.3 Ų | 67.3 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | trans | -89.2 | 114.2 | 170.3 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | N1645 | N1645-V1665 HydrophobicContact CB-CG2 4.25Š| ||
| 1666 | G | 66.4 | Low | 73 | Confident | 11 Ų | 11 | 61.3 Ų | 61.3 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | trans | -96.7 | -177.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1668 L1681 | G1666-H1668 PolarHBondContact O-CE1 3.14Å; G1666-H1668 VanDerWaalsContact O-CE1 3.22Å; G1666-H1668 PolarHBondContact O-N 2.93Å; G1666-H1668 PolarHBondContact O-ND1 2.95Å; G1666-H1668 VanDerWaalsContact O-ND1 3.11Å; G1666-L1681 VanDerWaalsContact CA-O 3.23Å; G1666-L1681 WeakPolarHBondContact CA-O 3.44Å | ||
| 1667 | F | 72.9 | Confident | 72.9 | Confident | 58 Ų | 58 | 59 Ų | 59 | 25% | 0.254 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 126.9 | 174.6 | -61 | -83.8 | 0 | 0 | 0 | 110.4 | H1680 L1681 Y1696 I1726 S1730 P1732 | F1667-H1680 WeakPolarHBondContact O-CA 3.41Å; F1667-L1681 HydrophobicContact CB-CB 4.23Å; F1667-L1681 HydrophobicContact CB-CD1 4.3Å; F1667-L1681 HydrophobicContact CD2-CB 4.38Å; F1667-L1681 PolarHBondContact N-O 3.4Å; F1667-L1681 PolarHBondContact O-N 2.66Å; F1667-Y1696 HydrophobicContact CD2-CE1 4.32Å; F1667-Y1696 HydrophobicContact CE2-CE1 4.24Å; F1667-I1726 HydrophobicContact CD2-CD1 4.35Å; F1667-I1726 HydrophobicContact CE2-CB 4.41Å; F1667-I1726 HydrophobicContact CE2-CD1 4.32Å; F1667-I1726 HydrophobicContact CE2-CG2 3.97Å; F1667-I1726 HydrophobicContact CZ-CG2 4.35Å; F1667-S1730 WeakPolarHBondContact CE1-O 3.33Å; F1667-S1730 WeakPolarHBondContact CZ-O 3.47Å; F1667-P1732 HydrophobicContact CB-CG 3.75Å; F1667-P1732 HydrophobicContact CD1-CG 4.03Å; F1667-P1732 HydrophobicContact CD2-CG 3.91Å; F1667-P1732 HydrophobicContact CE2-CG 4.48Å; F1667-P1732 HydrophobicContact CG-CG 3.64Å |
| 1668 | H | 80.7 | Confident | 73 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 11% | 0.106 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129.9 | 175.8 | -54.5 | -14.7 | 0 | 0 | 0 | 109.9 | S1622 V1624 L1633 N1647 G1666 H1680 | S1622-H1668 PolarHBondContact OG-CD2 3.44Å; S1622-H1668 PolarHBondContact OG-NE2 3.38Å; V1624-H1668 HydrophobicContact CB-CB 4.42Å; V1624-H1668 HydrophobicContact CG2-CB 3.63Å; L1633-H1668 HydrophobicContact CD2-CB 3.91Å; N1647-H1668 PolarHBondContact OD1-CE1 3.15Å; G1666-H1668 PolarHBondContact O-CE1 3.14Å; G1666-H1668 VanDerWaalsContact O-CE1 3.22Å; G1666-H1668 PolarHBondContact O-N 2.93Å; G1666-H1668 PolarHBondContact O-ND1 2.95Å; G1666-H1668 VanDerWaalsContact O-ND1 3.11Å; H1668-H1680 AromaticContact CE1-CD2 3.97Å; H1668-H1680 AromaticContact ND1-CD2 3.58Å |
| 1669 | I | 74.7 | Confident | 72.9 | Confident | 19 Ų | 19 | 53.9 Ų | 53.9 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 130.7 | -178.6 | -48.7 | 173.6 | 0 | 0 | 0 | 109.9 | F1678 L1679 L1681 P1732 V1734 L1741 | I1669-F1678 WeakPolarHBondContact O-CA 3.04Å; I1669-L1679 HydrophobicContact CB-CB 4.3Å; I1669-L1679 PolarHBondContact N-O 3.12Å; I1669-L1679 PolarHBondContact O-N 3.01Å; I1669-L1681 HydrophobicContact CD1-CD1 4.05Å; I1669-P1732 HydrophobicContact CD1-CB 4.15Å; I1669-P1732 HydrophobicContact CD1-CG 4.19Å; I1669-P1732 WeakPolarHBondContact CD1-O 3.32Å; I1669-V1734 HydrophobicContact CG2-CG2 4.1Å; I1669-L1741 HydrophobicContact CD1-CD1 4.02Å |
| 1670 | E | 74.5 | Confident | 72.9 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 34% | 0.341 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 136.8 | 171 | -172.6 | -178.2 | -179.8 | 0 | 0 | 110.4 | V1624 L1625 S1627 | V1624-E1670 HydrophobicContact CG1-CB 3.77Å; L1625-E1670 VanDerWaalsContact O-CD 3.26Å; S1627-E1670 WeakPolarHBondContact CA-OE1 3.3Å; S1627-E1670 WeakPolarHBondContact CB-OE1 3.2Å; S1627-E1670 PolarHBondContact N-OE1 3.2Å |
| 1671 | R | 71.5 | Confident | 72.7 | Confident | 6 Ų | 6 | 46 Ų | 46 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | trans | -90.5 | 125.3 | 166.8 | -95.1 | -175.6 | 152.5 | 147 | -2.4 | 111.2 | S1627 K1673 K1674 L1679 D1738 F1766 | S1627-R1671 PolarHBondContact OG-O 3.48Å; R1671-K1673 PolarHBondContact O-N 2.9Å; R1671-K1674 HydrophobicContact CB-CB 4.2Å; R1671-L1679 HydrophobicContact CG-CD1 4.39Å; R1671-D1738 PolarHBondContact NH2-O 2.95Å; R1671-F1766 VanDerWaalsContact NH2-CE1 3.27Å; R1671-F1766 VanDerWaalsContact NH2-CZ 3.31Å | ||
| 1672 | T | 64.9 | Low | 72.5 | Confident | 75 Ų | 75 | 47.3 Ų | 47.3 | 46% | 0.46 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -67.5 | -38.4 | -166.4 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | D1738 | T1672-D1738 PolarHBondContact N-OD1 3.46Å; T1672-D1738 PolarHBondContact OG1-OD1 3.16Å |
| 1673 | K | 65.3 | Low | 72.5 | Confident | 133 Ų | 133 | 47.1 Ų | 47.1 | 58% | 0.578 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -97.3 | -24.6 | -177.1 | -63.1 | 170.4 | -175.7 | 167.6 | 0 | 113.2 | R1671 S1736 D1737 D1738 | R1671-K1673 PolarHBondContact O-N 2.9Å; K1673-S1736 WeakPolarHBondContact CE-O 3.49Å; K1673-S1736 PolarHBondContact NZ-O 3.05Å; K1673-D1737 VanDerWaalsContact NZ-C 3.33Å; K1673-D1737 VanDerWaalsContact NZ-CA 3.26Å; K1673-D1737 PolarHBondContact NZ-O 3.31Å; K1673-D1738 WeakPolarHBondContact CB-OD2 3.36Å; K1673-D1738 PolarHBondContact N-OD2 2.84Å; K1673-D1738 VanDerWaalsContact N-OD2 3.08Å |
| 1674 | K | 66.8 | Low | 72.4 | Confident | 97 Ų | 97 | 44 Ų | 44 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -100.3 | 94.2 | -168.8 | -62.2 | -170 | -178.1 | 176.9 | 0 | 113 | R1671 G1676 H1677 | R1671-K1674 HydrophobicContact CB-CB 4.2Å; K1674-G1676 PolarHBondContact O-N 2.98Å; K1674-H1677 HydrophobicContact CB-CB 4.07Å; K1674-H1677 PolarHBondContact O-N 2.9Å; K1674-H1677 VanDerWaalsContact O-N 3.11Å |
| 1675 | K | 70 | Confident | 71.9 | Confident | 138 Ų | 138 | 47 Ų | 47 | 60% | 0.6 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 107.4 | -178.9 | -66.6 | -179.8 | 178.9 | 177.3 | 0 | 113.1 | S1627 C1628 K1705 | S1627-K1675 WeakPolarHBondContact OG-CA 3.22Å; C1628-K1675 HydrophobicContact CB-CB 4.39Å; C1628-K1675 HydrophobicContact CB-CD 4.29Å; C1628-K1675 HydrophobicContact CB-CG 4.24Å; K1675-K1705 PolarHBondContact O-NZ 3.19Å |
| 1676 | G | 72 | Confident | 70.9 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 22.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K1674 I1703 | K1674-G1676 PolarHBondContact O-N 2.98Å; G1676-I1703 PolarHBondContact O-N 3.32Å |
| 1677 | H | 76.3 | Confident | 70 | Confident | 51 Ų | 51 | 55.8 Ų | 55.8 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 140.3 | 163.6 | -61.7 | -112.2 | 0 | 0 | 0 | 109.4 | K1674 V1701 E1702 | K1674-H1677 HydrophobicContact CB-CB 4.07Å; K1674-H1677 PolarHBondContact O-N 2.9Å; K1674-H1677 VanDerWaalsContact O-N 3.11Å; H1677-V1701 VanDerWaalsContact CA-O 3.32Å; H1677-V1701 WeakPolarHBondContact CA-O 3.5Å; H1677-E1702 IonicContact CE1-OE1 3.69Å; H1677-E1702 PolarHBondContact CE1-OE1 3.48Å; H1677-E1702 IonicContact ND1-OE1 2.7Å; H1677-E1702 PolarHBondContact ND1-OE1 3.13Å |
| 1678 | F | 83 | Confident | 68.5 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155 | 170.8 | -51.3 | -93 | 0 | 0 | 0 | 109.2 | V1624 L1633 I1669 V1701 I1703 | V1624-F1678 HydrophobicContact CG1-CD1 4.06Å; V1624-F1678 HydrophobicContact CG1-CE1 4.08Å; L1633-F1678 HydrophobicContact CB-CD1 4.14Å; L1633-F1678 HydrophobicContact CB-CE1 3.96Å; L1633-F1678 HydrophobicContact CB-CE2 4.49Å; L1633-F1678 HydrophobicContact CB-CG 4.47Å; L1633-F1678 HydrophobicContact CB-CZ 4.14Å; L1633-F1678 HydrophobicContact CD2-CB 4.01Å; L1633-F1678 HydrophobicContact CD2-CD1 4.15Å; L1633-F1678 HydrophobicContact CD2-CG 4.02Å; I1669-F1678 WeakPolarHBondContact O-CA 3.04Å; F1678-V1701 HydrophobicContact CB-CB 4.3Å; F1678-V1701 PolarHBondContact N-O 2.88Å; F1678-V1701 PolarHBondContact O-N 3.48Å; F1678-I1703 HydrophobicContact CE2-CD1 4.01Å |
| 1679 | L | 79.1 | Confident | 66.5 | Low | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 136.4 | 163.4 | -69.2 | 166.4 | 0 | 0 | 0 | 108.6 | I1669 R1671 I1698 Q1700 V1734 F1766 | I1669-L1679 HydrophobicContact CB-CB 4.3Å; I1669-L1679 PolarHBondContact N-O 3.12Å; I1669-L1679 PolarHBondContact O-N 3.01Å; R1671-L1679 HydrophobicContact CG-CD1 4.39Å; L1679-I1698 HydrophobicContact CD2-CG2 4.4Å; L1679-Q1700 HydrophobicContact CD2-CB 4.19Å; L1679-V1734 HydrophobicContact CD1-CG2 3.85Å; L1679-F1766 HydrophobicContact CD1-CZ 3.78Å |
| 1680 | H | 80.9 | Confident | 64.8 | Low | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 116.4 | 177.8 | -177.1 | -166.3 | 0 | 0 | 0 | 108.7 | N1647 Y1661 F1667 H1668 L1699 V1701 | N1647-H1680 PolarHBondContact ND2-NE2 2.7Å; N1647-H1680 PolarHBondContact OD1-NE2 2.81Å; Y1661-H1680 AromaticContact CD2-CE1 3.97Å; Y1661-H1680 AromaticContact CE2-CE1 2.75Å; Y1661-H1680 WeakPolarHBondContact CE2-CE1 3.33Å; Y1661-H1680 AromaticContact CE2-ND1 3.56Å; Y1661-H1680 AromaticContact CE2-NE2 3.74Å; Y1661-H1680 AromaticContact CZ-CE1 3.21Å; Y1661-H1680 AromaticContact CZ-ND1 3.87Å; Y1661-H1680 PolarHBondContact OH-CE1 2.93Å; Y1661-H1680 PolarHBondContact OH-ND1 3.5Å; F1667-H1680 WeakPolarHBondContact O-CA 3.41Å; H1668-H1680 AromaticContact CE1-CD2 3.97Å; H1668-H1680 AromaticContact ND1-CD2 3.58Å; H1680-L1699 HydrophobicContact CB-CB 4.29Å; H1680-L1699 PolarHBondContact N-O 3.43Å; H1680-L1699 WeakPolarHBondContact O-CB 3.46Å; H1680-L1699 PolarHBondContact O-N 3.25Å; H1680-V1701 HydrophobicContact CB-CG2 4.29Å |
| 1681 | L | 77.8 | Confident | 63.1 | Low | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 103.4 | 175.2 | -69.9 | 159.6 | 0 | 0 | 0 | 108.3 | G1666 F1667 I1669 Y1696 I1698 L1723 I1726 P1732 L1741 | G1666-L1681 VanDerWaalsContact CA-O 3.23Å; G1666-L1681 WeakPolarHBondContact CA-O 3.44Å; F1667-L1681 HydrophobicContact CB-CB 4.23Å; F1667-L1681 HydrophobicContact CB-CD1 4.3Å; F1667-L1681 HydrophobicContact CD2-CB 4.38Å; F1667-L1681 PolarHBondContact N-O 3.4Å; F1667-L1681 PolarHBondContact O-N 2.66Å; I1669-L1681 HydrophobicContact CD1-CD1 4.05Å; L1681-Y1696 HydrophobicContact CB-CD1 4.22Å; L1681-I1698 HydrophobicContact CD2-CB 4.33Å; L1681-I1698 HydrophobicContact CD2-CG1 3.78Å; L1681-I1698 HydrophobicContact CD2-CG2 4.31Å; L1681-L1723 HydrophobicContact CD2-CD1 3.64Å; L1681-I1726 HydrophobicContact CB-CD1 4.46Å; L1681-I1726 HydrophobicContact CD1-CD1 4.13Å; L1681-P1732 HydrophobicContact CD1-CB 3.63Å; L1681-P1732 HydrophobicContact CD1-CG 3.38Å; L1681-L1741 HydrophobicContact CD2-CD2 4.38Å |
| 1682 | M | 74.6 | Confident | 61.9 | Low | 59 Ų | 59 | 85.6 Ų | 85.6 | 29% | 0.291 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132.4 | -174.6 | -167.1 | -176.7 | 79.7 | 0 | 0 | 110.4 | Y1696 V1697 L1699 | M1682-Y1696 WeakPolarHBondContact O-CA 3.28Å; M1682-V1697 PolarHBondContact N-O 2.93Å; M1682-V1697 PolarHBondContact O-N 2.83Å; M1682-L1699 HydrophobicContact CB-CD1 3.95Å; M1682-L1699 HydrophobicContact CE-CD1 4.48Å; M1682-L1699 HydrophobicContact SD-CD1 3.92Å |
| 1683 | P | 69.9 | Low | 61.1 | Low | 24 Ų | 24 | 83.4 Ų | 83.4 | 16% | 0.156 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 147.1 | 173.2 | -15.5 | 29.4 | 0 | 0 | 0 | 111.8 | Y1696 | P1683-Y1696 HydrophobicContact CB-CE1 4.39Å; P1683-Y1696 HydrophobicContact CG-CD1 4.46Å; P1683-Y1696 HydrophobicContact CG-CE1 3.89Å |
| 1684 | E | 65.6 | Low | 60.8 | Low | 55 Ų | 55 | 79.3 Ų | 79.3 | 26% | 0.257 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.6 | 171.7 | -169.3 | 177.4 | -166.1 | 0 | 0 | 108.9 | S1686 S1695 V1697 R1722 | E1684-S1686 PolarHBondContact O-N 3.47Å; E1684-S1695 WeakPolarHBondContact CB-O 3.48Å; E1684-S1695 PolarHBondContact N-O 3.43Å; E1684-S1695 WeakPolarHBondContact OE2-CB 3.4Å; E1684-S1695 PolarHBondContact OE2-OG 3.37Å; E1684-V1697 HydrophobicContact CB-CG2 4.3Å; E1684-R1722 IonicContact OE1-CZ 3.24Å; E1684-R1722 IonicContact OE1-NE 3Å; E1684-R1722 PolarHBondContact OE1-NE 3.2Å; E1684-R1722 IonicContact OE1-NH2 2.7Å; E1684-R1722 PolarHBondContact OE1-NH2 3.07Å; E1684-R1722 WeakPolarHBondContact OE2-CD 3.21Å; E1684-R1722 IonicContact OE2-CZ 3.74Å; E1684-R1722 IonicContact OE2-NE 2.79Å; E1684-R1722 PolarHBondContact OE2-NE 3.48Å; E1684-R1722 IonicContact OE2-NH2 2.69Å |
| 1685 | L | 54.9 | Low | 60.6 | Low | 125 Ų | 125 | 76 Ų | 76 | 65% | 0.654 | 40% | 0.404 | S | S | * | . | trans | -78 | 116.9 | 175.1 | -75 | 166.2 | 0 | 0 | 0 | 109.6 | ||||
| 1686 | S | 47.6 | Very low | 60.7 | Low | 69 Ų | 69 | 71 Ų | 71 | 48% | 0.483 | 38% | 0.382 | S | S | . | . | trans | -67.8 | 135 | 167.3 | 43 | 0 | 0 | 0 | 0 | 110.4 | E1684 D1688 | E1684-S1686 PolarHBondContact O-N 3.47Å; S1686-D1688 VanDerWaalsContact C-N 3.31Å | ||
| 1687 | L | 46.2 | Very low | 60.8 | Low | 162 Ų | 162 | 72.5 Ų | 72.5 | 85% | 0.848 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -81 | -10.6 | 174.6 | -83.8 | 85.4 | 0 | 0 | 0 | 113.1 | ||
| 1688 | D | 41.9 | Very low | 60.8 | Low | 138 Ų | 138 | 70.3 Ų | 70.3 | 74% | 0.738 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -90.7 | 106.7 | -178.3 | -69.8 | -53.4 | 0 | 0 | 0 | 111.4 | S1686 N1690 | S1686-D1688 VanDerWaalsContact C-N 3.31Å; D1688-N1690 PolarHBondContact O-N 3.19Å |
| 1689 | N | 38.8 | Very low | 60.5 | Low | 164 Ų | 164 | 71.3 Ų | 71.3 | 88% | 0.877 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 5.7 | -168.5 | -79.8 | -32.5 | 0 | 0 | 0 | 118.6 | ||
| 1690 | N | 40.4 | Very low | 60.5 | Low | 158 Ų | 158 | 72.9 Ų | 72.9 | 85% | 0.845 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.2 | 3.6 | -165.9 | -78.4 | -31.9 | 0 | 0 | 0 | 116.5 | D1688 | D1688-N1690 PolarHBondContact O-N 3.19Š|
| 1691 | I | 37.8 | Very low | 60.5 | Low | 135 Ų | 135 | 72.9 Ų | 72.9 | 69% | 0.692 | 39% | 0.393 | S | S | * | . | trans | -133.3 | 115.1 | 176.8 | -54.1 | -179.8 | 0 | 0 | 0 | 110.8 | G1693 | I1691-G1693 VanDerWaalsContact C-N 3.29Å; I1691-G1693 PolarHBondContact O-N 3.24Å | ||
| 1692 | Q | 46.6 | Very low | 60.6 | Low | 211 Ų | 211 | 74.4 Ų | 74.4 | 99% | 0.986 | 40% | 0.4 | S | S | * | . | trans | -79.7 | 69.7 | 177.3 | -68.3 | -172.7 | -51.5 | 0 | 0 | 111.7 | ||||
| 1693 | G | 48.7 | Very low | 60.8 | Low | 28 Ų | 28 | 71.9 Ų | 71.9 | 29% | 0.289 | 39% | 0.388 | S | S | . | . | trans | -136.3 | 102.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1691 S1695 | I1691-G1693 VanDerWaalsContact C-N 3.29Å; I1691-G1693 PolarHBondContact O-N 3.24Å; G1693-S1695 PolarHBondContact O-N 2.95Å | ||
| 1694 | C | 57.4 | Low | 60.6 | Low | 48 Ų | 48 | 74 Ų | 74 | 32% | 0.324 | 40% | 0.398 | S | S | . | . | trans | -77.5 | 116.7 | 172.2 | -70.7 | 0 | 0 | 0 | 0 | 110.1 | Y1696 S1725 | C1694-Y1696 HydrophobicContact CB-CE2 4.32Å; C1694-S1725 WeakPolarHBondContact O-CA 3.49Å; C1694-S1725 WeakPolarHBondContact O-CB 3.46Å; C1694-S1725 PolarHBondContact O-N 3.04Å | ||
| 1695 | S | 63.2 | Low | 60.4 | Low | 26 Ų | 26 | 76.8 Ų | 76.8 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 148 | 159.1 | 31.8 | 0 | 0 | 0 | 0 | 110 | E1684 G1693 L1723 | E1684-S1695 WeakPolarHBondContact CB-O 3.48Å; E1684-S1695 PolarHBondContact N-O 3.43Å; E1684-S1695 WeakPolarHBondContact OE2-CB 3.4Å; E1684-S1695 PolarHBondContact OE2-OG 3.37Å; G1693-S1695 PolarHBondContact O-N 2.95Å; S1695-L1723 CarbonylContact C-O 3.44Å; S1695-L1723 VanDerWaalsContact CA-O 3.26Å; S1695-L1723 WeakPolarHBondContact CA-O 3.38Å |
| 1696 | Y | 72 | Confident | 60.2 | Low | 33 Ų | 33 | 75.8 Ų | 75.8 | 13% | 0.129 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.6 | 173.2 | -79.2 | -100.8 | 0 | 0 | 0 | 110.6 | F1667 L1681 M1682 P1683 C1694 L1723 I1726 | F1667-Y1696 HydrophobicContact CD2-CE1 4.32Å; F1667-Y1696 HydrophobicContact CE2-CE1 4.24Å; L1681-Y1696 HydrophobicContact CB-CD1 4.22Å; M1682-Y1696 WeakPolarHBondContact O-CA 3.28Å; P1683-Y1696 HydrophobicContact CB-CE1 4.39Å; P1683-Y1696 HydrophobicContact CG-CD1 4.46Å; P1683-Y1696 HydrophobicContact CG-CE1 3.89Å; C1694-Y1696 HydrophobicContact CB-CE2 4.32Å; Y1696-L1723 PolarHBondContact N-O 3.49Å; Y1696-L1723 PolarHBondContact O-N 2.84Å; Y1696-I1726 HydrophobicContact CD1-CD1 3.72Å; Y1696-I1726 HydrophobicContact CD1-CG1 4.3Å; Y1696-I1726 HydrophobicContact CD2-CB 4.15Å; Y1696-I1726 HydrophobicContact CD2-CD1 4Å; Y1696-I1726 HydrophobicContact CD2-CG1 3.64Å; Y1696-I1726 HydrophobicContact CE1-CD1 4.04Å; Y1696-I1726 HydrophobicContact CE1-CG1 4.47Å; Y1696-I1726 HydrophobicContact CE2-CB 3.82Å; Y1696-I1726 HydrophobicContact CE2-CD1 4.31Å; Y1696-I1726 HydrophobicContact CE2-CG1 3.86Å; Y1696-I1726 HydrophobicContact CG-CD1 3.67Å; Y1696-I1726 HydrophobicContact CG-CG1 3.86Å |
| 1697 | V | 73.4 | Confident | 59.9 | Low | 33 Ų | 33 | 79.5 Ų | 79.5 | 20% | 0.2 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 126.9 | 174.8 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | M1682 E1684 L1699 | M1682-V1697 PolarHBondContact N-O 2.93Å; M1682-V1697 PolarHBondContact O-N 2.83Å; E1684-V1697 HydrophobicContact CB-CG2 4.3Å; V1697-L1699 HydrophobicContact CG1-CD2 3.86Å; V1697-L1699 HydrophobicContact CG1-CG 4.36Å; V1697-L1699 PolarHBondContact O-N 3.18Å |
| 1698 | I | 76.9 | Confident | 59.9 | Low | 6 Ų | 6 | 81.7 Ų | 81.7 | 3% | 0.031 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 108.5 | 178.8 | -46.2 | 179.9 | 0 | 0 | 0 | 108.7 | L1679 L1681 P1717 V1718 L1723 L1741 W1764 | L1679-I1698 HydrophobicContact CD2-CG2 4.4Å; L1681-I1698 HydrophobicContact CD2-CB 4.33Å; L1681-I1698 HydrophobicContact CD2-CG1 3.78Å; L1681-I1698 HydrophobicContact CD2-CG2 4.31Å; I1698-P1717 WeakPolarHBondContact O-CA 3.41Å; I1698-V1718 HydrophobicContact CB-CB 4.43Å; I1698-V1718 HydrophobicContact CB-CG2 4.42Å; I1698-V1718 HydrophobicContact CG2-CB 4.29Å; I1698-V1718 HydrophobicContact CG2-CG2 3.93Å; I1698-V1718 PolarHBondContact O-N 2.86Å; I1698-L1723 HydrophobicContact CD1-CD1 3.69Å; I1698-L1723 HydrophobicContact CD1-CG 3.95Å; I1698-L1723 HydrophobicContact CG1-CD1 3.71Å; I1698-L1723 HydrophobicContact CG1-CG 4.19Å; I1698-L1741 HydrophobicContact CD1-CD2 4.23Å; I1698-W1764 HydrophobicContact CD1-CD2 3.92Å; I1698-W1764 HydrophobicContact CD1-CE3 3.56Å; I1698-W1764 HydrophobicContact CD1-CH2 3.44Å; I1698-W1764 VanDerWaalsContact CD1-CH2 3.44Å; I1698-W1764 HydrophobicContact CD1-CZ2 3.82Å; I1698-W1764 HydrophobicContact CD1-CZ3 3.29Å; I1698-W1764 HydrophobicContact CG2-CH2 4.35Å; I1698-W1764 HydrophobicContact CG2-CZ3 4.13Å |
| 1699 | L | 76.5 | Confident | 60.5 | Low | 20 Ų | 20 | 84.3 Ų | 84.3 | 11% | 0.105 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.3 | 176.3 | -57.6 | 177.2 | 0 | 0 | 0 | 110.3 | H1680 M1682 V1697 I1715 P1717 | H1680-L1699 HydrophobicContact CB-CB 4.29Å; H1680-L1699 PolarHBondContact N-O 3.43Å; H1680-L1699 WeakPolarHBondContact O-CB 3.46Å; H1680-L1699 PolarHBondContact O-N 3.25Å; M1682-L1699 HydrophobicContact CB-CD1 3.95Å; M1682-L1699 HydrophobicContact CE-CD1 4.48Å; M1682-L1699 HydrophobicContact SD-CD1 3.92Å; V1697-L1699 HydrophobicContact CG1-CD2 3.86Å; V1697-L1699 HydrophobicContact CG1-CG 4.36Å; V1697-L1699 PolarHBondContact O-N 3.18Å; L1699-I1715 HydrophobicContact CB-CG2 4.1Å; L1699-I1715 HydrophobicContact CD1-CG2 4.12Å; L1699-I1715 HydrophobicContact CD2-CG2 4.25Å; L1699-I1715 HydrophobicContact CG-CG2 4.39Å; L1699-P1717 HydrophobicContact CD2-CB 4.46Å |
| 1700 | Q | 80.4 | Confident | 61.3 | Low | 35 Ų | 35 | 82.6 Ų | 82.6 | 16% | 0.164 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 119 | 169.1 | 177 | 160.8 | -46.5 | 0 | 0 | 109 | L1679 E1702 K1716 V1718 | L1679-Q1700 HydrophobicContact CD2-CB 4.19Å; Q1700-E1702 HydrophobicContact CG-CG 3.85Å; Q1700-E1702 PolarHBondContact NE2-OE1 3.03Å; Q1700-K1716 PolarHBondContact N-O 2.87Å; Q1700-K1716 PolarHBondContact O-N 2.76Å; Q1700-V1718 HydrophobicContact CB-CG2 3.61Å |
| 1701 | V | 79.7 | Confident | 62.3 | Low | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.2 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | I1649 H1677 F1678 H1680 T1714 I1715 | I1649-V1701 HydrophobicContact CD1-CG1 3.83Å; H1677-V1701 VanDerWaalsContact CA-O 3.32Å; H1677-V1701 WeakPolarHBondContact CA-O 3.5Å; F1678-V1701 HydrophobicContact CB-CB 4.3Å; F1678-V1701 PolarHBondContact N-O 2.88Å; F1678-V1701 PolarHBondContact O-N 3.48Å; H1680-V1701 HydrophobicContact CB-CG2 4.29Å; V1701-T1714 WeakPolarHBondContact CA-O 3.22Å; V1701-I1715 HydrophobicContact CG2-CG1 4.44Å |
| 1702 | E | 81 | Confident | 63.6 | Low | 33 Ų | 33 | 76.9 Ų | 76.9 | 15% | 0.154 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 113.9 | -176.1 | -40.5 | -165.4 | 114.1 | 0 | 0 | 109.6 | H1677 Q1700 D1704 A1713 T1714 K1716 | H1677-E1702 IonicContact CE1-OE1 3.69Å; H1677-E1702 PolarHBondContact CE1-OE1 3.48Å; H1677-E1702 IonicContact ND1-OE1 2.7Å; H1677-E1702 PolarHBondContact ND1-OE1 3.13Å; Q1700-E1702 HydrophobicContact CG-CG 3.85Å; Q1700-E1702 PolarHBondContact NE2-OE1 3.03Å; E1702-D1704 PolarHBondContact O-N 3.43Å; E1702-A1713 WeakPolarHBondContact O-CA 3.22Å; E1702-T1714 PolarHBondContact N-O 2.58Å; E1702-T1714 PolarHBondContact O-N 2.86Å; E1702-T1714 PolarHBondContact O-OG1 2.59Å; E1702-K1716 IonicContact OE2-NZ 2.77Å; E1702-K1716 PolarHBondContact OE2-NZ 2.98Å |
| 1703 | I | 77.6 | Confident | 64.8 | Low | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 102.5 | 172.4 | -58.3 | 174.2 | 0 | 0 | 0 | 107.7 | Y1631 I1649 G1676 F1678 A1713 | Y1631-I1703 HydrophobicContact CD1-CD1 4.06Å; Y1631-I1703 HydrophobicContact CD2-CD1 3.5Å; Y1631-I1703 VanDerWaalsContact CD2-CD1 3.5Å; Y1631-I1703 HydrophobicContact CD2-CG2 4.46Å; Y1631-I1703 HydrophobicContact CE2-CB 4.42Å; Y1631-I1703 HydrophobicContact CE2-CD1 4.02Å; Y1631-I1703 HydrophobicContact CE2-CG2 3.88Å; Y1631-I1703 HydrophobicContact CG-CD1 3.5Å; I1649-I1703 HydrophobicContact CG2-CD1 3.73Å; G1676-I1703 PolarHBondContact O-N 3.32Å; F1678-I1703 HydrophobicContact CE2-CD1 4.01Å; I1703-A1713 HydrophobicContact CG1-CB 4.41Å |
| 1704 | D | 66.9 | Low | 66.2 | Low | 69 Ų | 69 | 68.6 Ų | 68.6 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | trans | -68.6 | 135.4 | -178.4 | -159.7 | -22.7 | 0 | 0 | 0 | 110.4 | E1702 T1706 K1712 | E1702-D1704 PolarHBondContact O-N 3.43Å; D1704-T1706 VanDerWaalsContact CG-OG1 3.32Å; D1704-T1706 VanDerWaalsContact OD1-CB 3.31Å; D1704-T1706 WeakPolarHBondContact OD1-CB 3.45Å; D1704-T1706 WeakPolarHBondContact OD1-CG2 3.25Å; D1704-T1706 PolarHBondContact OD1-N 3.43Å; D1704-T1706 PolarHBondContact OD1-OG1 2.96Å; D1704-T1706 PolarHBondContact OD2-OG1 2.85Å; D1704-K1712 PolarHBondContact N-O 3.05Å | ||
| 1705 | K | 61 | Low | 67.1 | Low | 113 Ų | 113 | 69.4 Ų | 69.4 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | trans | -110.3 | 3.3 | -178.6 | -69.4 | 163.4 | -176.1 | 164.4 | 0 | 112 | K1675 | K1675-K1705 PolarHBondContact O-NZ 3.19Š| ||
| 1706 | T | 50.2 | Low | 67.7 | Low | 104 Ų | 104 | 72.8 Ų | 72.8 | 64% | 0.638 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -97.6 | 21.9 | -166.2 | 66.3 | 0 | 0 | 0 | 0 | 115 | D1704 | D1704-T1706 VanDerWaalsContact CG-OG1 3.32Å; D1704-T1706 VanDerWaalsContact OD1-CB 3.31Å; D1704-T1706 WeakPolarHBondContact OD1-CB 3.45Å; D1704-T1706 WeakPolarHBondContact OD1-CG2 3.25Å; D1704-T1706 PolarHBondContact OD1-N 3.43Å; D1704-T1706 PolarHBondContact OD1-OG1 2.96Å; D1704-T1706 PolarHBondContact OD2-OG1 2.85Å |
| 1707 | N | 41.6 | Very low | 67.6 | Low | 147 Ų | 147 | 75.6 Ų | 75.6 | 79% | 0.786 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -150.4 | 162.8 | 159.8 | -100.1 | -52.8 | 0 | 0 | 0 | 113.5 | ||
| 1708 | K | 46.6 | Very low | 67.2 | Low | 207 Ų | 207 | 76.3 Ų | 76.3 | 90% | 0.9 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -85.1 | -21 | -153.5 | -86.2 | -173.3 | 173.5 | -178.9 | 0 | 118.5 | ||
| 1709 | E | 53.5 | Low | 66.4 | Low | 193 Ų | 193 | 78.1 Ų | 78.1 | 90% | 0.902 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -125.8 | -20.3 | -166.3 | -63.4 | -173.5 | 151.9 | 0 | 0 | 115.3 | ||
| 1710 | E | 56.1 | Low | 65.4 | Low | 128 Ų | 128 | 82.1 Ų | 82.1 | 60% | 0.598 | 43% | 0.425 | S | S | * | . | trans | -128.1 | 119.1 | 177.9 | -65.8 | -179.1 | 139.1 | 0 | 0 | 111.4 | K1712 | E1710-K1712 HydrophobicContact CB-CG 4.46Å; E1710-K1712 PolarHBondContact O-N 2.9Å; E1710-K1712 WeakPolarHBondContact OE2-CE 3.5Å; E1710-K1712 IonicContact OE2-NZ 2.66Å; E1710-K1712 PolarHBondContact OE2-NZ 3.16Å | ||
| 1711 | N | 61.1 | Low | 64.1 | Low | 47 Ų | 47 | 83 Ų | 83 | 25% | 0.251 | 43% | 0.433 | S | S | . | . | trans | -72.1 | 94.1 | 169.8 | -76.5 | -3.6 | 0 | 0 | 0 | 108.8 | Y1631 D1651 K1654 V1658 | Y1631-N1711 PolarHBondContact OH-ND2 2.83Å; D1651-N1711 PolarHBondContact OD2-ND2 3.33Å; K1654-N1711 PolarHBondContact NZ-ND2 2.85Å; V1658-N1711 HydrophobicContact CG1-CB 3.84Å; V1658-N1711 WeakPolarHBondContact CG1-O 3.48Å | ||
| 1712 | K | 64.7 | Low | 63.3 | Low | 127 Ų | 127 | 90.4 Ų | 90.4 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | trans | -92.5 | 118.7 | 176.2 | -80.5 | 169.5 | 169 | 156.5 | 0 | 110.9 | D1704 E1710 | D1704-K1712 PolarHBondContact N-O 3.05Å; E1710-K1712 HydrophobicContact CB-CG 4.46Å; E1710-K1712 PolarHBondContact O-N 2.9Å; E1710-K1712 WeakPolarHBondContact OE2-CE 3.5Å; E1710-K1712 IonicContact OE2-NZ 2.66Å; E1710-K1712 PolarHBondContact OE2-NZ 3.16Å | ||
| 1713 | A | 72.7 | Confident | 62.5 | Low | 20 Ų | 20 | 89 Ų | 89 | 17% | 0.165 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 130.1 | 167 | 0 | 0 | 0 | 0 | 0 | 109.3 | I1649 V1659 E1702 I1703 | I1649-A1713 HydrophobicContact CD1-CB 3.83Å; V1659-A1713 HydrophobicContact CB-CB 4.42Å; V1659-A1713 HydrophobicContact CG2-CB 3.77Å; E1702-A1713 WeakPolarHBondContact O-CA 3.22Å; I1703-A1713 HydrophobicContact CG1-CB 4.41Å |
| 1714 | T | 77.4 | Confident | 61.8 | Low | 45 Ų | 45 | 90.3 Ų | 90.3 | 28% | 0.276 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.1 | 172.7 | 67.3 | 0 | 0 | 0 | 0 | 109.2 | V1701 E1702 K1716 | V1701-T1714 WeakPolarHBondContact CA-O 3.22Å; E1702-T1714 PolarHBondContact N-O 2.58Å; E1702-T1714 PolarHBondContact O-N 2.86Å; E1702-T1714 PolarHBondContact O-OG1 2.59Å; T1714-K1716 WeakPolarHBondContact OG1-CE 3.38Å |
| 1715 | I | 77.6 | Confident | 61.9 | Low | 65 Ų | 65 | 88 Ų | 88 | 33% | 0.333 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 120.3 | -179.6 | -56.2 | 173.2 | 0 | 0 | 0 | 106.6 | Y1661 L1699 V1701 | Y1661-I1715 HydrophobicContact CD1-CD1 4.07Å; Y1661-I1715 HydrophobicContact CD2-CD1 3.49Å; Y1661-I1715 VanDerWaalsContact CD2-CD1 3.49Å; Y1661-I1715 HydrophobicContact CE1-CD1 4.27Å; Y1661-I1715 HydrophobicContact CE2-CD1 3.74Å; Y1661-I1715 HydrophobicContact CG-CD1 3.67Å; L1699-I1715 HydrophobicContact CB-CG2 4.1Å; L1699-I1715 HydrophobicContact CD1-CG2 4.12Å; L1699-I1715 HydrophobicContact CD2-CG2 4.25Å; L1699-I1715 HydrophobicContact CG-CG2 4.39Å; V1701-I1715 HydrophobicContact CG2-CG1 4.44Å |
| 1716 | K | 75.8 | Confident | 62.3 | Low | 97 Ų | 97 | 82.8 Ų | 82.8 | 42% | 0.422 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128 | -173.6 | -63 | 170.4 | -172.9 | 166.3 | 0 | 109.6 | Q1700 E1702 T1714 | Q1700-K1716 PolarHBondContact N-O 2.87Å; Q1700-K1716 PolarHBondContact O-N 2.76Å; E1702-K1716 IonicContact OE2-NZ 2.77Å; E1702-K1716 PolarHBondContact OE2-NZ 2.98Å; T1714-K1716 WeakPolarHBondContact OG1-CE 3.38Å |
| 1717 | P | 68.4 | Low | 62.9 | Low | 92 Ų | 92 | 78 Ų | 78 | 60% | 0.597 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 137.7 | 167.5 | 30 | -33.4 | 0 | 0 | 0 | 109 | I1698 L1699 | I1698-P1717 WeakPolarHBondContact O-CA 3.41Å; L1699-P1717 HydrophobicContact CD2-CB 4.46Å |
| 1718 | V | 66 | Low | 63.5 | Low | 47 Ų | 47 | 75.1 Ų | 75.1 | 29% | 0.285 | 39% | 0.391 | S | S | . | . | trans | -84.9 | -29.3 | -174.4 | -169.4 | 0 | 0 | 0 | 0 | 112.5 | I1698 Q1700 W1764 F1766 | I1698-V1718 HydrophobicContact CB-CB 4.43Å; I1698-V1718 HydrophobicContact CB-CG2 4.42Å; I1698-V1718 HydrophobicContact CG2-CB 4.29Å; I1698-V1718 HydrophobicContact CG2-CG2 3.93Å; I1698-V1718 PolarHBondContact O-N 2.86Å; Q1700-V1718 HydrophobicContact CB-CG2 3.61Å; V1718-W1764 HydrophobicContact CB-CH2 3.94Å; V1718-W1764 HydrophobicContact CG1-CH2 3.62Å; V1718-W1764 HydrophobicContact CG1-CZ2 4.45Å; V1718-W1764 HydrophobicContact CG1-CZ3 4.49Å; V1718-F1766 HydrophobicContact CG1-CD1 4.43Å; V1718-F1766 HydrophobicContact CG1-CE1 4.32Å | ||
| 1719 | T | 60.3 | Low | 63.8 | Low | 44 Ų | 44 | 66.6 Ų | 66.6 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | trans | -148.5 | 162.1 | 175.3 | 41.3 | 0 | 0 | 0 | 0 | 112.3 | V1721 W1764 | T1719-V1721 VanDerWaalsContact C-N 3.31Å; T1719-V1721 PolarHBondContact OG1-O 2.85Å; T1719-W1764 HydrophobicContact CG2-CZ2 3.76Å; T1719-W1764 WeakPolarHBondContact OG1-CZ2 3.44Å | ||
| 1720 | S | 54.3 | Low | 63.9 | Low | 104 Ų | 104 | 57.8 Ų | 57.8 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -75.1 | -16.5 | 165.4 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1721 | V | 53.1 | Low | 64.4 | Low | 55 Ų | 55 | 59.4 Ų | 59.4 | 33% | 0.333 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -77.1 | 126 | 174.5 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | T1719 N1777 | T1719-V1721 VanDerWaalsContact C-N 3.31Å; T1719-V1721 PolarHBondContact OG1-O 2.85Å; V1721-N1777 HydrophobicContact CG2-CB 3.65Å |
| 1722 | R | 62.6 | Low | 64.8 | Low | 154 Ų | 154 | 57.8 Ų | 57.8 | 58% | 0.581 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 138.3 | 170.1 | -71.5 | 166.9 | 168.3 | 150.6 | -3.2 | 110 | E1684 | E1684-R1722 IonicContact OE1-CZ 3.24Å; E1684-R1722 IonicContact OE1-NE 3Å; E1684-R1722 PolarHBondContact OE1-NE 3.2Å; E1684-R1722 IonicContact OE1-NH2 2.7Å; E1684-R1722 PolarHBondContact OE1-NH2 3.07Å; E1684-R1722 WeakPolarHBondContact OE2-CD 3.21Å; E1684-R1722 IonicContact OE2-CZ 3.74Å; E1684-R1722 IonicContact OE2-NE 2.79Å; E1684-R1722 PolarHBondContact OE2-NE 3.48Å; E1684-R1722 IonicContact OE2-NH2 2.69Å |
| 1723 | L | 65.9 | Low | 65.1 | Low | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -72.3 | 140.3 | 157 | -73.7 | 169.3 | 0 | 0 | 0 | 108.3 | L1681 S1695 Y1696 I1698 L1741 V1743 I1745 L1780 | L1681-L1723 HydrophobicContact CD2-CD1 3.64Å; S1695-L1723 CarbonylContact C-O 3.44Å; S1695-L1723 VanDerWaalsContact CA-O 3.26Å; S1695-L1723 WeakPolarHBondContact CA-O 3.38Å; Y1696-L1723 PolarHBondContact N-O 3.49Å; Y1696-L1723 PolarHBondContact O-N 2.84Å; I1698-L1723 HydrophobicContact CD1-CD1 3.69Å; I1698-L1723 HydrophobicContact CD1-CG 3.95Å; I1698-L1723 HydrophobicContact CG1-CD1 3.71Å; I1698-L1723 HydrophobicContact CG1-CG 4.19Å; L1723-L1741 HydrophobicContact CD1-CD2 4.39Å; L1723-V1743 HydrophobicContact CD1-CG2 4.45Å; L1723-I1745 HydrophobicContact CD2-CD1 4Å; L1723-L1780 HydrophobicContact CD2-CD1 4.17Å |
| 1724 | S | 63 | Low | 65 | Low | 35 Ų | 35 | 53.3 Ų | 53.3 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 171.1 | 163.3 | 8.1 | 0 | 0 | 0 | 0 | 110.7 | I1726 I1745 | S1724-I1726 PolarHBondContact O-N 2.86Å; S1724-I1745 WeakPolarHBondContact OG-CG2 3.19Å |
| 1725 | S | 69.1 | Low | 64.4 | Low | 20 Ų | 20 | 52.4 Ų | 52.4 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 130.9 | -171.2 | -178.7 | 0 | 0 | 0 | 0 | 112.7 | C1694 I1745 E1746 | C1694-S1725 WeakPolarHBondContact O-CA 3.49Å; C1694-S1725 WeakPolarHBondContact O-CB 3.46Å; C1694-S1725 PolarHBondContact O-N 3.04Å; S1725-I1745 WeakPolarHBondContact O-CA 3.38Å; S1725-E1746 WeakPolarHBondContact CB-OE2 3.48Å; S1725-E1746 PolarHBondContact O-N 3.4Å; S1725-E1746 PolarHBondContact OG-OE2 3.44Å |
| 1726 | I | 68.2 | Low | 63.6 | Low | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -84.2 | 124.6 | 178.3 | -58.8 | -179.8 | 0 | 0 | 0 | 108.4 | F1667 L1681 Y1696 S1724 S1730 V1743 Q1744 | F1667-I1726 HydrophobicContact CD2-CD1 4.35Å; F1667-I1726 HydrophobicContact CE2-CB 4.41Å; F1667-I1726 HydrophobicContact CE2-CD1 4.32Å; F1667-I1726 HydrophobicContact CE2-CG2 3.97Å; F1667-I1726 HydrophobicContact CZ-CG2 4.35Å; L1681-I1726 HydrophobicContact CB-CD1 4.46Å; L1681-I1726 HydrophobicContact CD1-CD1 4.13Å; Y1696-I1726 HydrophobicContact CD1-CD1 3.72Å; Y1696-I1726 HydrophobicContact CD1-CG1 4.3Å; Y1696-I1726 HydrophobicContact CD2-CB 4.15Å; Y1696-I1726 HydrophobicContact CD2-CD1 4Å; Y1696-I1726 HydrophobicContact CD2-CG1 3.64Å; Y1696-I1726 HydrophobicContact CE1-CD1 4.04Å; Y1696-I1726 HydrophobicContact CE1-CG1 4.47Å; Y1696-I1726 HydrophobicContact CE2-CB 3.82Å; Y1696-I1726 HydrophobicContact CE2-CD1 4.31Å; Y1696-I1726 HydrophobicContact CE2-CG1 3.86Å; Y1696-I1726 HydrophobicContact CG-CD1 3.67Å; Y1696-I1726 HydrophobicContact CG-CG1 3.86Å; S1724-I1726 PolarHBondContact O-N 2.86Å; I1726-S1730 WeakPolarHBondContact CG2-OG 3.5Å; I1726-V1743 HydrophobicContact CB-CG1 4.46Å; I1726-V1743 HydrophobicContact CD1-CG1 4.03Å; I1726-V1743 HydrophobicContact CG1-CG1 3.71Å; I1726-V1743 HydrophobicContact CG2-CG1 4.24Å; I1726-Q1744 WeakPolarHBondContact CA-O 3.48Å |
| 1727 | V | 62.9 | Low | 63.1 | Low | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -57.3 | 125.9 | -175.5 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | G1729 S1730 Q1744 E1746 | V1727-G1729 PolarHBondContact O-N 2.85Å; V1727-S1730 WeakPolarHBondContact O-CB 3.43Å; V1727-S1730 PolarHBondContact O-N 3.38Å; V1727-S1730 VanDerWaalsContact O-N 3.08Å; V1727-S1730 PolarHBondContact O-OG 3.13Å; V1727-Q1744 HydrophobicContact CB-CB 4.5Å; V1727-Q1744 HydrophobicContact CB-CG 4.01Å; V1727-Q1744 HydrophobicContact CG2-CB 4.5Å; V1727-Q1744 HydrophobicContact CG2-CG 3.75Å; V1727-Q1744 PolarHBondContact N-O 2.96Å; V1727-Q1744 VanDerWaalsContact N-O 3.11Å; V1727-E1746 HydrophobicContact CG2-CG 3.64Å |
| 1728 | P | 53.5 | Low | 63.1 | Low | 88 Ų | 88 | 44.7 Ų | 44.7 | 57% | 0.571 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 128.6 | 178.8 | -28.5 | 35.8 | 0 | 0 | 0 | 113 | ||
| 1729 | G | 52.9 | Low | 63.3 | Low | 27 Ų | 27 | 45.3 Ų | 45.3 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -25.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1727 | V1727-G1729 PolarHBondContact O-N 2.85Š|
| 1730 | S | 57.6 | Low | 63.7 | Low | 8 Ų | 8 | 44.8 Ų | 44.8 | 6% | 0.056 | 25% | 0.246 | C | C | . | . | trans | -65 | 137.7 | 171.5 | 74.3 | 0 | 0 | 0 | 0 | 110.4 | F1667 I1726 V1727 | F1667-S1730 WeakPolarHBondContact CE1-O 3.33Å; F1667-S1730 WeakPolarHBondContact CZ-O 3.47Å; I1726-S1730 WeakPolarHBondContact CG2-OG 3.5Å; V1727-S1730 WeakPolarHBondContact O-CB 3.43Å; V1727-S1730 PolarHBondContact O-N 3.38Å; V1727-S1730 VanDerWaalsContact O-N 3.08Å; V1727-S1730 PolarHBondContact O-OG 3.13Å | ||
| 1731 | K | 64.7 | Low | 64.7 | Low | 163 Ų | 163 | 39.9 Ų | 39.9 | 71% | 0.709 | 21% | 0.212 | S | C | * | . | trans | -105.4 | 110.1 | 174.3 | -75.1 | -171.5 | 178.3 | -177.8 | 0 | 109.3 | ||||
| 1732 | P | 70.2 | Confident | 65.6 | Low | 13 Ų | 13 | 37.4 Ų | 37.4 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | trans | -64.5 | 138.6 | 176.1 | 26.3 | -32.6 | 0 | 0 | 0 | 110 | F1667 I1669 L1681 | F1667-P1732 HydrophobicContact CB-CG 3.75Å; F1667-P1732 HydrophobicContact CD1-CG 4.03Å; F1667-P1732 HydrophobicContact CD2-CG 3.91Å; F1667-P1732 HydrophobicContact CE2-CG 4.48Å; F1667-P1732 HydrophobicContact CG-CG 3.64Å; I1669-P1732 HydrophobicContact CD1-CB 4.15Å; I1669-P1732 HydrophobicContact CD1-CG 4.19Å; I1669-P1732 WeakPolarHBondContact CD1-O 3.32Å; L1681-P1732 HydrophobicContact CD1-CB 3.63Å; L1681-P1732 HydrophobicContact CD1-CG 3.38Å | ||
| 1733 | F | 70.8 | Confident | 66 | Low | 32 Ų | 32 | 30.3 Ų | 30.3 | 14% | 0.14 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 161.4 | 180 | 69.4 | -89.7 | 0 | 0 | 0 | 111.3 | V1742 C1805 P1807 L1815 | F1733-V1742 HydrophobicContact CD1-CB 4.31Å; F1733-V1742 HydrophobicContact CD2-CB 4.46Å; F1733-V1742 HydrophobicContact CD2-CG2 4.48Å; F1733-V1742 HydrophobicContact CE1-CB 3.75Å; F1733-V1742 HydrophobicContact CE1-CG1 3.81Å; F1733-V1742 HydrophobicContact CE1-CG2 4.4Å; F1733-V1742 HydrophobicContact CE2-CB 3.91Å; F1733-V1742 HydrophobicContact CE2-CG2 3.71Å; F1733-V1742 HydrophobicContact CZ-CB 3.53Å; F1733-V1742 HydrophobicContact CZ-CG1 3.71Å; F1733-V1742 HydrophobicContact CZ-CG2 3.67Å; F1733-V1742 PolarHBondContact O-N 3.34Å; F1733-C1805 HydrophobicContact CE1-CB 4.21Å; F1733-C1805 WeakPolarHBondContact CE1-O 3.26Å; F1733-P1807 HydrophobicContact CD2-CG 4.36Å; F1733-P1807 HydrophobicContact CE2-CG 4.22Å; F1733-L1815 HydrophobicContact CE2-CD2 4.36Å; F1733-L1815 HydrophobicContact CZ-CD2 3.83Å |
| 1734 | V | 70.9 | Confident | 66.2 | Low | 20 Ų | 20 | 30.5 Ų | 30.5 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 137.3 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 108.2 | I1669 L1679 H1740 L1741 | I1669-V1734 HydrophobicContact CG2-CG2 4.1Å; L1679-V1734 HydrophobicContact CD1-CG2 3.85Å; V1734-H1740 WeakPolarHBondContact CA-O 3.31Å; V1734-L1741 HydrophobicContact CG2-CD1 3.69Å |
| 1735 | T | 64.8 | Low | 66.4 | Low | 26 Ų | 26 | 29 Ų | 29 | 16% | 0.16 | 16% | 0.161 | C | C | . | . | trans | -63.7 | 151.4 | 174 | 42.2 | 0 | 0 | 0 | 0 | 111 | D1737 D1738 H1740 | T1735-D1737 WeakPolarHBondContact CB-OD1 3.38Å; T1735-D1737 PolarHBondContact O-N 3.49Å; T1735-D1737 PolarHBondContact OG1-OD1 3.17Å; T1735-D1738 PolarHBondContact O-N 3.47Å; T1735-H1740 HydrophobicContact CG2-CB 4.18Å; T1735-H1740 PolarHBondContact N-O 3.33Å; T1735-H1740 VanDerWaalsContact N-O 3.09Å; T1735-H1740 WeakPolarHBondContact OG1-CB 3.41Å; T1735-H1740 PolarHBondContact OG1-N 2.95Å; T1735-H1740 VanDerWaalsContact OG1-N 3.11Å; T1735-H1740 PolarHBondContact OG1-O 3.41Å; T1735-H1740 VanDerWaalsContact OG1-O 3.08Å | ||
| 1736 | S | 61.3 | Low | 66 | Low | 29 Ų | 29 | 31.4 Ų | 31.4 | 20% | 0.203 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -4.4 | -175.7 | 60.9 | 0 | 0 | 0 | 0 | 114.4 | K1673 D1738 D1811 | K1673-S1736 WeakPolarHBondContact CE-O 3.49Å; K1673-S1736 PolarHBondContact NZ-O 3.05Å; S1736-D1738 VanDerWaalsContact C-N 3.3Å; S1736-D1811 VanDerWaalsContact CB-OD1 3.25Å; S1736-D1811 WeakPolarHBondContact CB-OD1 3.5Å; S1736-D1811 WeakPolarHBondContact OG-CA 3.41Å; S1736-D1811 PolarHBondContact OG-N 3.28Å; S1736-D1811 PolarHBondContact OG-OD1 2.97Å |
| 1737 | D | 64.1 | Low | 65.4 | Low | 52 Ų | 52 | 34 Ų | 34 | 28% | 0.278 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -21.5 | 167 | 57.9 | 16.7 | 0 | 0 | 0 | 112.6 | K1673 T1735 E1739 H1740 | K1673-D1737 VanDerWaalsContact NZ-C 3.33Å; K1673-D1737 VanDerWaalsContact NZ-CA 3.26Å; K1673-D1737 PolarHBondContact NZ-O 3.31Å; T1735-D1737 WeakPolarHBondContact CB-OD1 3.38Å; T1735-D1737 PolarHBondContact O-N 3.49Å; T1735-D1737 PolarHBondContact OG1-OD1 3.17Å; D1737-E1739 VanDerWaalsContact C-N 3.27Å; D1737-E1739 HydrophobicContact CB-CB 4.19Å; D1737-E1739 HydrophobicContact CB-CG 3.74Å; D1737-E1739 WeakPolarHBondContact OD1-CA 3.2Å; D1737-E1739 WeakPolarHBondContact OD1-CB 3.45Å; D1737-E1739 PolarHBondContact OD1-N 3.4Å; D1737-H1740 IonicContact OD2-ND1 2.93Å; D1737-H1740 PolarHBondContact OD2-ND1 3.08Å |
| 1738 | D | 70 | Confident | 64.8 | Low | 11 Ų | 11 | 40.7 Ų | 40.7 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 66.8 | 13.9 | -163.2 | -76.3 | -8.5 | 0 | 0 | 0 | 113.9 | R1671 T1672 K1673 T1735 S1736 | R1671-D1738 PolarHBondContact NH2-O 2.95Å; T1672-D1738 PolarHBondContact N-OD1 3.46Å; T1672-D1738 PolarHBondContact OG1-OD1 3.16Å; K1673-D1738 WeakPolarHBondContact CB-OD2 3.36Å; K1673-D1738 PolarHBondContact N-OD2 2.84Å; K1673-D1738 VanDerWaalsContact N-OD2 3.08Å; T1735-D1738 PolarHBondContact O-N 3.47Å; S1736-D1738 VanDerWaalsContact C-N 3.3Å |
| 1739 | E | 68.7 | Low | 64.2 | Low | 60 Ų | 60 | 44.2 Ų | 44.2 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | trans | -103.6 | -21.7 | -169.1 | -54 | -172.8 | -174.3 | 0 | 0 | 116.4 | D1737 F1766 Y1767 | D1737-E1739 VanDerWaalsContact C-N 3.27Å; D1737-E1739 HydrophobicContact CB-CB 4.19Å; D1737-E1739 HydrophobicContact CB-CG 3.74Å; D1737-E1739 WeakPolarHBondContact OD1-CA 3.2Å; D1737-E1739 WeakPolarHBondContact OD1-CB 3.45Å; D1737-E1739 PolarHBondContact OD1-N 3.4Å; E1739-F1766 WeakPolarHBondContact O-CD2 3.48Å; E1739-F1766 PolarHBondContact O-N 2.66Å; E1739-Y1767 HydrophobicContact CB-CD2 4.12Å; E1739-Y1767 HydrophobicContact CB-CE2 4.16Å; E1739-Y1767 VanDerWaalsContact CD-CE2 3.48Å; E1739-Y1767 HydrophobicContact CG-CD2 4.09Å; E1739-Y1767 HydrophobicContact CG-CE2 3.61Å | ||
| 1740 | H | 69.5 | Low | 63.4 | Low | 33 Ų | 33 | 51.7 Ų | 51.7 | 15% | 0.153 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132.5 | 179.7 | -58.1 | 82.5 | 0 | 0 | 0 | 111.6 | V1734 T1735 D1737 S1765 | V1734-H1740 WeakPolarHBondContact CA-O 3.31Å; T1735-H1740 HydrophobicContact CG2-CB 4.18Å; T1735-H1740 PolarHBondContact N-O 3.33Å; T1735-H1740 VanDerWaalsContact N-O 3.09Å; T1735-H1740 WeakPolarHBondContact OG1-CB 3.41Å; T1735-H1740 PolarHBondContact OG1-N 2.95Å; T1735-H1740 VanDerWaalsContact OG1-N 3.11Å; T1735-H1740 PolarHBondContact OG1-O 3.41Å; T1735-H1740 VanDerWaalsContact OG1-O 3.08Å; D1737-H1740 IonicContact OD2-ND1 2.93Å; D1737-H1740 PolarHBondContact OD2-ND1 3.08Å; H1740-S1765 PolarHBondContact NE2-OG 3.15Å |
| 1741 | L | 75.1 | Confident | 62.3 | Low | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 126.2 | 167.9 | -175.5 | 74.1 | 0 | 0 | 0 | 108.2 | I1669 L1681 I1698 L1723 V1734 V1743 W1764 F1766 | I1669-L1741 HydrophobicContact CD1-CD1 4.02Å; L1681-L1741 HydrophobicContact CD2-CD2 4.38Å; I1698-L1741 HydrophobicContact CD1-CD2 4.23Å; L1723-L1741 HydrophobicContact CD1-CD2 4.39Å; V1734-L1741 HydrophobicContact CG2-CD1 3.69Å; L1741-V1743 HydrophobicContact CD2-CG2 3.72Å; L1741-V1743 HydrophobicContact CG-CG2 3.72Å; L1741-W1764 HydrophobicContact CB-CB 4.46Å; L1741-W1764 HydrophobicContact CB-CE3 4.02Å; L1741-W1764 HydrophobicContact CD2-CE3 3.99Å; L1741-W1764 PolarHBondContact N-O 2.91Å; L1741-W1764 PolarHBondContact O-N 3.34Å; L1741-F1766 HydrophobicContact CB-CE2 4.12Å; L1741-F1766 HydrophobicContact CB-CZ 4.41Å |
| 1742 | V | 72.4 | Confident | 60.7 | Low | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.3 | 176.7 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | F1733 L1761 F1763 | F1733-V1742 HydrophobicContact CD1-CB 4.31Å; F1733-V1742 HydrophobicContact CD2-CB 4.46Å; F1733-V1742 HydrophobicContact CD2-CG2 4.48Å; F1733-V1742 HydrophobicContact CE1-CB 3.75Å; F1733-V1742 HydrophobicContact CE1-CG1 3.81Å; F1733-V1742 HydrophobicContact CE1-CG2 4.4Å; F1733-V1742 HydrophobicContact CE2-CB 3.91Å; F1733-V1742 HydrophobicContact CE2-CG2 3.71Å; F1733-V1742 HydrophobicContact CZ-CB 3.53Å; F1733-V1742 HydrophobicContact CZ-CG1 3.71Å; F1733-V1742 HydrophobicContact CZ-CG2 3.67Å; F1733-V1742 PolarHBondContact O-N 3.34Å; V1742-L1761 HydrophobicContact CG1-CD2 3.83Å; V1742-F1763 HydrophobicContact CG1-CE1 4.28Å; V1742-F1763 HydrophobicContact CG2-CD1 4.15Å; V1742-F1763 HydrophobicContact CG2-CE1 4.23Å |
| 1743 | V | 71.5 | Confident | 58.8 | Low | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.024 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 144.9 | -175.4 | -167.1 | 0 | 0 | 0 | 0 | 109.9 | L1723 I1726 L1741 I1745 A1762 | L1723-V1743 HydrophobicContact CD1-CG2 4.45Å; I1726-V1743 HydrophobicContact CB-CG1 4.46Å; I1726-V1743 HydrophobicContact CD1-CG1 4.03Å; I1726-V1743 HydrophobicContact CG1-CG1 3.71Å; I1726-V1743 HydrophobicContact CG2-CG1 4.24Å; L1741-V1743 HydrophobicContact CD2-CG2 3.72Å; L1741-V1743 HydrophobicContact CG-CG2 3.72Å; V1743-I1745 HydrophobicContact CB-CD1 4.47Å; V1743-I1745 HydrophobicContact CB-CG1 4.22Å; V1743-I1745 HydrophobicContact CG1-CD1 4.34Å; V1743-I1745 HydrophobicContact CG1-CG1 3.84Å; V1743-A1762 PolarHBondContact N-O 2.75Å; V1743-A1762 VanDerWaalsContact N-O 3.11Å; V1743-A1762 PolarHBondContact O-N 3.49Å |
| 1744 | Q | 69 | Low | 56.7 | Low | 9 Ų | 9 | 72.3 Ų | 72.3 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 119.5 | 172.4 | -175.7 | -175.4 | -24.7 | 0 | 0 | 108.6 | I1726 V1727 I1802 | I1726-Q1744 WeakPolarHBondContact CA-O 3.48Å; V1727-Q1744 HydrophobicContact CB-CB 4.5Å; V1727-Q1744 HydrophobicContact CB-CG 4.01Å; V1727-Q1744 HydrophobicContact CG2-CB 4.5Å; V1727-Q1744 HydrophobicContact CG2-CG 3.75Å; V1727-Q1744 PolarHBondContact N-O 2.96Å; V1727-Q1744 VanDerWaalsContact N-O 3.11Å; Q1744-I1802 HydrophobicContact CG-CB 4.37Å; Q1744-I1802 PolarHBondContact NE2-O 3.12Å; Q1744-I1802 PolarHBondContact OE1-O 3.29Å |
| 1745 | I | 68 | Low | 54.7 | Low | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.1 | -164.9 | -67.9 | -168.4 | 0 | 0 | 0 | 112.4 | L1723 S1724 S1725 V1743 E1760 A1762 L1780 | L1723-I1745 HydrophobicContact CD2-CD1 4Å; S1724-I1745 WeakPolarHBondContact OG-CG2 3.19Å; S1725-I1745 WeakPolarHBondContact O-CA 3.38Å; V1743-I1745 HydrophobicContact CB-CD1 4.47Å; V1743-I1745 HydrophobicContact CB-CG1 4.22Å; V1743-I1745 HydrophobicContact CG1-CD1 4.34Å; V1743-I1745 HydrophobicContact CG1-CG1 3.84Å; I1745-E1760 PolarHBondContact N-O 3.45Å; I1745-E1760 PolarHBondContact O-N 3.02Å; I1745-E1760 VanDerWaalsContact O-N 3.11Å; I1745-A1762 HydrophobicContact CB-CB 4.27Å; I1745-A1762 HydrophobicContact CD1-CB 3.37Å; I1745-A1762 HydrophobicContact CG1-CB 3.75Å; I1745-L1780 HydrophobicContact CD1-CD1 4.32Å; I1745-L1780 HydrophobicContact CD1-CD2 4.37Å |
| 1746 | E | 60.5 | Low | 53.3 | Low | 72 Ų | 72 | 78.2 Ų | 78.2 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -90 | 140 | 172.4 | -58.2 | 177.5 | 144.9 | 0 | 0 | 111.6 | S1725 V1727 | S1725-E1746 WeakPolarHBondContact CB-OE2 3.48Å; S1725-E1746 PolarHBondContact O-N 3.4Å; S1725-E1746 PolarHBondContact OG-OE2 3.44Å; V1727-E1746 HydrophobicContact CG2-CG 3.64Å |
| 1747 | S | 55 | Low | 52.1 | Low | 57 Ų | 57 | 81.1 Ų | 81.1 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -95.5 | 140.7 | -171.8 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1748 | N | 50.8 | Low | 51.1 | Low | 144 Ų | 144 | 80 Ų | 80 | 77% | 0.77 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -102.2 | 154.6 | 175.1 | -75 | -16.9 | 0 | 0 | 0 | 113.2 | E1750 | N1748-E1750 PolarHBondContact O-N 3.05Š|
| 1749 | D | 41 | Very low | 50.5 | Low | 161 Ų | 161 | 81.5 Ų | 81.5 | 86% | 0.861 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -84.8 | -3.1 | -148.5 | -97.6 | -40.7 | 0 | 0 | 0 | 120.4 | L1751 | D1749-L1751 PolarHBondContact O-N 3.4Š|
| 1750 | E | 35.6 | Very low | 50.1 | Low | 184 Ų | 184 | 81 Ų | 81 | 86% | 0.86 | 45% | 0.453 | S | S | * | . | trans | -85.3 | 2.6 | -156.1 | -66.3 | -153 | 130.8 | 0 | 0 | 119 | N1748 K1752 | N1748-E1750 PolarHBondContact O-N 3.05Å; E1750-K1752 PolarHBondContact O-N 3.3Å | ||
| 1751 | L | 35.2 | Very low | 49.9 | Very low | 177 Ų | 177 | 79.7 Ų | 79.7 | 93% | 0.927 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -94.5 | 69.9 | -176.9 | -82.5 | 172 | 0 | 0 | 0 | 115.4 | D1749 | D1749-L1751 PolarHBondContact O-N 3.4Š|
| 1752 | K | 30.1 | Very low | 49.4 | Very low | 189 Ų | 189 | 79.7 Ų | 79.7 | 82% | 0.822 | 45% | 0.447 | S | S | * | . | trans | 22.4 | 117.2 | 151.6 | -66.1 | 174.8 | -177.3 | 169.5 | 0 | 119 | E1750 | E1750-K1752 PolarHBondContact O-N 3.3Š| ||
| 1753 | Q | 30.1 | Very low | 49.3 | Very low | 201 Ų | 201 | 80.3 Ų | 80.3 | 94% | 0.939 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 73 | 65.3 | 158.7 | -61.3 | -173.7 | -18.7 | 0 | 0 | 117.6 | ||
| 1754 | G | 27.6 | Very low | 49.2 | Very low | 83 Ų | 83 | 80.5 Ų | 80.5 | 86% | 0.856 | 45% | 0.449 | S | S | * | . | trans | 90.8 | 69.2 | 136.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1755 | A | 29.1 | Very low | 49.2 | Very low | 96 Ų | 96 | 81 Ų | 81 | 79% | 0.793 | 45% | 0.454 | S | S | * | . | trans | -146.1 | 145.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1756 | S | 34.5 | Very low | 49.1 | Very low | 74 Ų | 74 | 83.2 Ų | 83.2 | 52% | 0.517 | 46% | 0.464 | S | S | . | . | trans | -44.7 | 142.7 | 176 | 59.1 | 0 | 0 | 0 | 0 | 115.7 | K1789 | S1756-K1789 WeakPolarHBondContact OG-CE 3.49Å; S1756-K1789 PolarHBondContact OG-NZ 2.72Å | ||
| 1757 | V | 35.7 | Very low | 48.9 | Very low | 89 Ų | 89 | 87.4 Ų | 87.4 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | trans | -51.3 | 144.7 | 167.1 | -177.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1758 | C | 44.4 | Very low | 48.1 | Very low | 29 Ų | 29 | 89.6 Ų | 89.6 | 20% | 0.196 | 49% | 0.493 | C | S | . | . | trans | -146 | 134.3 | 171.1 | -79.1 | 0 | 0 | 0 | 0 | 111 | T1785 K1789 | C1758-T1785 HydrophobicContact CB-CG2 3.69Å; C1758-K1789 WeakPolarHBondContact SG-CE 3.1Å; C1758-K1789 PolarHBondContact SG-NZ 3.41Å | ||
| 1759 | Q | 57.4 | Low | 47.6 | Very low | 42 Ų | 42 | 87.3 Ų | 87.3 | 20% | 0.196 | 49% | 0.488 | C | S | . | . | trans | -69.4 | 139.2 | 159.2 | -65.8 | -177 | -20.2 | 0 | 0 | 109.1 | H1801 | Q1759-H1801 PolarHBondContact NE2-CE1 2.94Å; Q1759-H1801 PolarHBondContact NE2-ND1 3.22Å | ||
| 1760 | E | 60 | Low | 47.5 | Very low | 51 Ų | 51 | 89 Ų | 89 | 24% | 0.238 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.8 | -177.4 | -62.3 | -167.3 | 130.4 | 0 | 0 | 111.2 | I1745 A1762 Y1782 | I1745-E1760 PolarHBondContact N-O 3.45Å; I1745-E1760 PolarHBondContact O-N 3.02Å; I1745-E1760 VanDerWaalsContact O-N 3.11Å; E1760-A1762 PolarHBondContact O-N 3.45Å; E1760-Y1782 HydrophobicContact CB-CD1 4.22Å; E1760-Y1782 WeakPolarHBondContact OE2-CD1 3.21Å; E1760-Y1782 WeakPolarHBondContact OE2-CE1 3.24Å |
| 1761 | L | 65.3 | Low | 47.6 | Very low | 5 Ų | 5 | 87.9 Ų | 87.9 | 3% | 0.026 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 114.8 | 169.4 | -118.4 | 167.5 | 0 | 0 | 0 | 107.1 | V1742 F1763 T1783 I1802 V1817 | V1742-L1761 HydrophobicContact CG1-CD2 3.83Å; L1761-F1763 HydrophobicContact CD2-CZ 4.49Å; L1761-T1783 HydrophobicContact CB-CG2 3.9Å; L1761-T1783 PolarHBondContact O-N 3.05Å; L1761-I1802 HydrophobicContact CD1-CD1 3.92Å; L1761-I1802 HydrophobicContact CG-CD1 4.01Å; L1761-V1817 HydrophobicContact CD1-CG1 4.49Å; L1761-V1817 HydrophobicContact CD1-CG2 4.11Å |
| 1762 | A | 64.9 | Low | 47.5 | Very low | 1 Ų | 1 | 85.2 Ų | 85.2 | 1% | 0.008 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V1743 I1745 E1760 L1780 W1781 | V1743-A1762 PolarHBondContact N-O 2.75Å; V1743-A1762 VanDerWaalsContact N-O 3.11Å; V1743-A1762 PolarHBondContact O-N 3.49Å; I1745-A1762 HydrophobicContact CB-CB 4.27Å; I1745-A1762 HydrophobicContact CD1-CB 3.37Å; I1745-A1762 HydrophobicContact CG1-CB 3.75Å; E1760-A1762 PolarHBondContact O-N 3.45Å; A1762-L1780 HydrophobicContact CB-CD1 3.94Å; A1762-L1780 HydrophobicContact CB-CG 4.37Å; A1762-W1781 WeakPolarHBondContact CA-O 3.44Å |
| 1763 | F | 69.4 | Low | 47.6 | Very low | 16 Ų | 16 | 82.1 Ų | 82.1 | 7% | 0.07 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.3 | 171.9 | -56.1 | -78.1 | 0 | 0 | 0 | 109.5 | V1742 L1761 W1781 T1783 L1815 I1849 L1863 | V1742-F1763 HydrophobicContact CG1-CE1 4.28Å; V1742-F1763 HydrophobicContact CG2-CD1 4.15Å; V1742-F1763 HydrophobicContact CG2-CE1 4.23Å; L1761-F1763 HydrophobicContact CD2-CZ 4.49Å; F1763-W1781 HydrophobicContact CB-CB 4.31Å; F1763-W1781 PolarHBondContact N-O 3Å; F1763-W1781 PolarHBondContact O-N 2.69Å; F1763-T1783 HydrophobicContact CD2-CG2 4.48Å; F1763-T1783 HydrophobicContact CE2-CG2 3.65Å; F1763-T1783 HydrophobicContact CZ-CG2 4.47Å; F1763-L1815 HydrophobicContact CE1-CD1 4.19Å; F1763-L1815 HydrophobicContact CZ-CD1 4.31Å; F1763-I1849 HydrophobicContact CD1-CD1 4.17Å; F1763-I1849 HydrophobicContact CE1-CD1 3.53Å; F1763-I1849 HydrophobicContact CE1-CG1 4.05Å; F1763-I1849 HydrophobicContact CZ-CD1 4.1Å; F1763-I1849 HydrophobicContact CZ-CG1 4.09Å; F1763-L1863 HydrophobicContact CZ-CD1 4.27Å |
| 1764 | W | 70.3 | Confident | 47.6 | Very low | 8 Ų | 8 | 77.8 Ų | 77.8 | 3% | 0.03 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 113.5 | 174.1 | -172.4 | 68.2 | 0 | 0 | 0 | 109.6 | I1698 V1718 T1719 L1741 F1766 G1778 L1780 | I1698-W1764 HydrophobicContact CD1-CD2 3.92Å; I1698-W1764 HydrophobicContact CD1-CE3 3.56Å; I1698-W1764 HydrophobicContact CD1-CH2 3.44Å; I1698-W1764 VanDerWaalsContact CD1-CH2 3.44Å; I1698-W1764 HydrophobicContact CD1-CZ2 3.82Å; I1698-W1764 HydrophobicContact CD1-CZ3 3.29Å; I1698-W1764 HydrophobicContact CG2-CH2 4.35Å; I1698-W1764 HydrophobicContact CG2-CZ3 4.13Å; V1718-W1764 HydrophobicContact CB-CH2 3.94Å; V1718-W1764 HydrophobicContact CG1-CH2 3.62Å; V1718-W1764 HydrophobicContact CG1-CZ2 4.45Å; V1718-W1764 HydrophobicContact CG1-CZ3 4.49Å; T1719-W1764 HydrophobicContact CG2-CZ2 3.76Å; T1719-W1764 WeakPolarHBondContact OG1-CZ2 3.44Å; L1741-W1764 HydrophobicContact CB-CB 4.46Å; L1741-W1764 HydrophobicContact CB-CE3 4.02Å; L1741-W1764 HydrophobicContact CD2-CE3 3.99Å; L1741-W1764 PolarHBondContact N-O 2.91Å; L1741-W1764 PolarHBondContact O-N 3.34Å; W1764-F1766 HydrophobicContact CE3-CD1 4.45Å; W1764-F1766 HydrophobicContact CE3-CE1 4.09Å; W1764-F1766 HydrophobicContact CE3-CZ 4.12Å; W1764-F1766 HydrophobicContact CH2-CD1 4.13Å; W1764-F1766 AromaticContact CH2-CE1 3.87Å; W1764-F1766 HydrophobicContact CH2-CE1 3.87Å; W1764-F1766 AromaticContact CZ3-CD1 3.75Å; W1764-F1766 HydrophobicContact CZ3-CD1 3.75Å; W1764-F1766 AromaticContact CZ3-CE1 3.24Å; W1764-F1766 HydrophobicContact CZ3-CE1 3.24Å; W1764-F1766 HydrophobicContact CZ3-CE2 4.41Å; W1764-F1766 AromaticContact CZ3-CZ 3.61Å; W1764-F1766 HydrophobicContact CZ3-CZ 3.61Å; W1764-G1778 PolarHBondContact NE1-O 3.42Å; W1764-L1780 HydrophobicContact CB-CD1 4.25Å |
| 1765 | S | 67.6 | Low | 47.9 | Very low | 19 Ų | 19 | 82.9 Ų | 82.9 | 13% | 0.133 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 133.9 | -177.1 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | H1740 Y1767 | H1740-S1765 PolarHBondContact NE2-OG 3.15Å; S1765-Y1767 PolarHBondContact O-N 3.04Å; S1765-Y1767 PolarHBondContact OG-N 3.27Å |
| 1766 | F | 65.9 | Low | 48.2 | Very low | 50 Ų | 50 | 83 Ų | 83 | 22% | 0.219 | 45% | 0.449 | C | S | . | . | trans | -78.1 | 3.3 | 174.2 | -69.1 | -80.2 | 0 | 0 | 0 | 113.1 | R1671 L1679 V1718 E1739 L1741 W1764 | R1671-F1766 VanDerWaalsContact NH2-CE1 3.27Å; R1671-F1766 VanDerWaalsContact NH2-CZ 3.31Å; L1679-F1766 HydrophobicContact CD1-CZ 3.78Å; V1718-F1766 HydrophobicContact CG1-CD1 4.43Å; V1718-F1766 HydrophobicContact CG1-CE1 4.32Å; E1739-F1766 WeakPolarHBondContact O-CD2 3.48Å; E1739-F1766 PolarHBondContact O-N 2.66Å; L1741-F1766 HydrophobicContact CB-CE2 4.12Å; L1741-F1766 HydrophobicContact CB-CZ 4.41Å; W1764-F1766 HydrophobicContact CE3-CD1 4.45Å; W1764-F1766 HydrophobicContact CE3-CE1 4.09Å; W1764-F1766 HydrophobicContact CE3-CZ 4.12Å; W1764-F1766 HydrophobicContact CH2-CD1 4.13Å; W1764-F1766 AromaticContact CH2-CE1 3.87Å; W1764-F1766 HydrophobicContact CH2-CE1 3.87Å; W1764-F1766 AromaticContact CZ3-CD1 3.75Å; W1764-F1766 HydrophobicContact CZ3-CD1 3.75Å; W1764-F1766 AromaticContact CZ3-CE1 3.24Å; W1764-F1766 HydrophobicContact CZ3-CE1 3.24Å; W1764-F1766 HydrophobicContact CZ3-CE2 4.41Å; W1764-F1766 AromaticContact CZ3-CZ 3.61Å; W1764-F1766 HydrophobicContact CZ3-CZ 3.61Å | ||
| 1767 | Y | 57.7 | Low | 48.7 | Very low | 159 Ų | 159 | 83.7 Ų | 83.7 | 62% | 0.624 | 45% | 0.447 | S | S | * | . | trans | -104.1 | 140 | -170.1 | -101.2 | -107.5 | 0 | 0 | 0 | 115.5 | E1739 S1765 | E1739-Y1767 HydrophobicContact CB-CD2 4.12Å; E1739-Y1767 HydrophobicContact CB-CE2 4.16Å; E1739-Y1767 VanDerWaalsContact CD-CE2 3.48Å; E1739-Y1767 HydrophobicContact CG-CD2 4.09Å; E1739-Y1767 HydrophobicContact CG-CE2 3.61Å; S1765-Y1767 PolarHBondContact O-N 3.04Å; S1765-Y1767 PolarHBondContact OG-N 3.27Å | ||
| 1768 | S | 38.5 | Very low | 49.4 | Very low | 104 Ų | 104 | 80.6 Ų | 80.6 | 73% | 0.727 | 43% | 0.433 | S | S | * | . | trans | -119.2 | 132 | 171.5 | 58 | 0 | 0 | 0 | 0 | 111 | ||||
| 1769 | S | 40.1 | Very low | 49.8 | Very low | 95 Ų | 95 | 84.1 Ų | 84.1 | 66% | 0.664 | 45% | 0.445 | S | S | * | . | trans | -82.8 | 129 | 174.5 | 52.6 | 0 | 0 | 0 | 0 | 112.1 | N1771 | S1769-N1771 PolarHBondContact O-N 2.9Š| ||
| 1770 | E | 37.6 | Very low | 49.7 | Very low | 196 Ų | 196 | 84 Ų | 84 | 92% | 0.916 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 4.2 | -161.3 | -56.8 | 179.9 | 124.8 | 0 | 0 | 117.8 | ||
| 1771 | N | 39 | Very low | 49.7 | Very low | 161 Ų | 161 | 84.9 Ų | 84.9 | 86% | 0.861 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122 | 2.3 | -165 | -83.2 | -35.4 | 0 | 0 | 0 | 117 | S1769 | S1769-N1771 PolarHBondContact O-N 2.9Š|
| 1772 | E | 32.6 | Very low | 49.3 | Very low | 121 Ų | 121 | 90.6 Ų | 90.6 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | trans | -112.5 | 104.2 | 178.4 | -75.4 | -179.6 | -161.8 | 0 | 0 | 111.7 | T1774 | E1772-T1774 PolarHBondContact O-N 3.19Š| ||
| 1773 | S | 31.6 | Very low | 48.9 | Very low | 125 Ų | 125 | 91 Ų | 91 | 87% | 0.874 | 47% | 0.471 | S | S | * | . | trans | -82.3 | 73.4 | -177.1 | 58.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1774 | T | 31.4 | Very low | 48.1 | Very low | 110 Ų | 110 | 97 Ų | 97 | 68% | 0.675 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -158.8 | 159.5 | 162.6 | 5.2 | 0 | 0 | 0 | 0 | 110.5 | E1772 Q1776 | E1772-T1774 PolarHBondContact O-N 3.19Å; T1774-Q1776 PolarHBondContact O-N 2.9Å |
| 1775 | E | 33.5 | Very low | 47.2 | Very low | 189 Ų | 189 | 97.7 Ų | 97.7 | 88% | 0.883 | 50% | 0.504 | S | S | * | . | trans | -66 | 87.2 | -177.6 | -61.6 | 175 | 137.5 | 0 | 0 | 112 | ||||
| 1776 | Q | 35.3 | Very low | 46.4 | Very low | 100 Ų | 100 | 103.9 Ų | 103.9 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | trans | -111 | 91.6 | 176.9 | -70 | -164.2 | 44.6 | 0 | 0 | 111.9 | T1774 K1779 | T1774-Q1776 PolarHBondContact O-N 2.9Å; Q1776-K1779 VanDerWaalsContact OE1-CE 3.23Å | ||
| 1777 | N | 45.3 | Very low | 45.7 | Very low | 88 Ų | 88 | 105.7 Ų | 105.7 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | trans | -32.5 | 145.6 | 165.6 | -58.7 | -47.4 | 0 | 0 | 0 | 114.6 | V1721 K1779 | V1721-N1777 HydrophobicContact CG2-CB 3.65Å; N1777-K1779 PolarHBondContact O-N 3.33Å | ||
| 1778 | G | 49.7 | Very low | 45.6 | Very low | 24 Ų | 24 | 99.4 Ų | 99.4 | 25% | 0.247 | 52% | 0.515 | C | S | . | . | trans | -52.7 | 114 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | W1764 L1780 | W1764-G1778 PolarHBondContact NE1-O 3.42Å; G1778-L1780 PolarHBondContact O-N 2.88Å | ||
| 1779 | K | 52.4 | Low | 46.4 | Very low | 102 Ų | 102 | 98 Ų | 98 | 44% | 0.443 | 50% | 0.496 | S | S | . | . | trans | -73 | 124.3 | -169.1 | -68.9 | 177.7 | -180 | 172.6 | 0 | 110.3 | Q1776 N1777 W1781 | Q1776-K1779 VanDerWaalsContact OE1-CE 3.23Å; N1777-K1779 PolarHBondContact O-N 3.33Å; K1779-W1781 HydrophobicContact CB-CZ2 4.09Å; K1779-W1781 HydrophobicContact CD-CZ2 4.21Å; K1779-W1781 PolarHBondContact O-NE1 3.13Å | ||
| 1780 | L | 56.5 | Low | 47 | Very low | 39 Ų | 39 | 99 Ų | 99 | 20% | 0.204 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 118.9 | 171.6 | -164.8 | 69.1 | 0 | 0 | 0 | 107.9 | L1723 I1745 A1762 W1764 G1778 Y1782 | L1723-L1780 HydrophobicContact CD2-CD1 4.17Å; I1745-L1780 HydrophobicContact CD1-CD1 4.32Å; I1745-L1780 HydrophobicContact CD1-CD2 4.37Å; A1762-L1780 HydrophobicContact CB-CD1 3.94Å; A1762-L1780 HydrophobicContact CB-CG 4.37Å; W1764-L1780 HydrophobicContact CB-CD1 4.25Å; G1778-L1780 PolarHBondContact O-N 2.88Å; L1780-Y1782 HydrophobicContact CD2-CE1 3.93Å; L1780-Y1782 HydrophobicContact CG-CE1 4.44Å |
| 1781 | W | 58.5 | Low | 47.8 | Very low | 70 Ų | 70 | 93 Ų | 93 | 27% | 0.265 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 122.9 | -178.9 | -57.6 | 91.6 | 0 | 0 | 0 | 110.3 | A1762 F1763 K1779 K1859 W1861 | A1762-W1781 WeakPolarHBondContact CA-O 3.44Å; F1763-W1781 HydrophobicContact CB-CB 4.31Å; F1763-W1781 PolarHBondContact N-O 3Å; F1763-W1781 PolarHBondContact O-N 2.69Å; K1779-W1781 HydrophobicContact CB-CZ2 4.09Å; K1779-W1781 HydrophobicContact CD-CZ2 4.21Å; K1779-W1781 PolarHBondContact O-NE1 3.13Å; W1781-K1859 WeakPolarHBondContact CH2-O 3.49Å; W1781-K1859 WeakPolarHBondContact CZ3-O 3.46Å; W1781-W1861 AromaticContact CD2-CD1 3.48Å; W1781-W1861 VanDerWaalsContact CD2-CD1 3.48Å; W1781-W1861 AromaticContact CE2-CD1 3.6Å; W1781-W1861 AromaticContact CE2-NE1 3.72Å; W1781-W1861 AromaticContact CE3-CD1 3.79Å; W1781-W1861 AromaticContact CG-CD1 3.86Å; W1781-W1861 AromaticContact NE1-NE1 3.85Å |
| 1782 | Y | 57.1 | Low | 48.4 | Very low | 126 Ų | 126 | 86.1 Ų | 86.1 | 49% | 0.494 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.7 | 179.2 | -52.6 | -83 | 0 | 0 | 0 | 110.8 | E1760 L1780 H1784 | E1760-Y1782 HydrophobicContact CB-CD1 4.22Å; E1760-Y1782 WeakPolarHBondContact OE2-CD1 3.21Å; E1760-Y1782 WeakPolarHBondContact OE2-CE1 3.24Å; L1780-Y1782 HydrophobicContact CD2-CE1 3.93Å; L1780-Y1782 HydrophobicContact CG-CE1 4.44Å; Y1782-H1784 PolarHBondContact O-N 3.02Å |
| 1783 | T | 56.4 | Low | 49.1 | Very low | 8 Ų | 8 | 83.1 Ų | 83.1 | 5% | 0.049 | 43% | 0.425 | C | S | . | . | trans | -73.7 | 120.6 | 172.5 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | L1761 F1763 T1785 L1863 | L1761-T1783 HydrophobicContact CB-CG2 3.9Å; L1761-T1783 PolarHBondContact O-N 3.05Å; F1763-T1783 HydrophobicContact CD2-CG2 4.48Å; F1763-T1783 HydrophobicContact CE2-CG2 3.65Å; F1763-T1783 HydrophobicContact CZ-CG2 4.47Å; T1783-T1785 PolarHBondContact O-N 3.44Å; T1783-L1863 HydrophobicContact CG2-CB 3.9Å; T1783-L1863 HydrophobicContact CG2-CD1 4.48Å; T1783-L1863 HydrophobicContact CG2-CD2 4.3Å; T1783-L1863 HydrophobicContact CG2-CG 4.46Å | ||
| 1784 | H | 52.3 | Low | 49.9 | Very low | 142 Ų | 142 | 85.3 Ų | 85.3 | 66% | 0.657 | 43% | 0.427 | S | S | * | . | trans | -65.9 | 109.9 | -175.6 | -130.8 | -6.9 | 0 | 0 | 0 | 111.9 | Y1782 K1786 E1787 | Y1782-H1784 PolarHBondContact O-N 3.02Å; H1784-K1786 PolarHBondContact O-N 2.45Å; H1784-E1787 PolarHBondContact O-N 3.31Å | ||
| 1785 | T | 52 | Low | 50.7 | Low | 24 Ų | 24 | 84.7 Ų | 84.7 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -7.2 | -167.9 | 59.6 | 0 | 0 | 0 | 0 | 115.7 | C1758 T1783 E1787 L1788 K1789 | C1758-T1785 HydrophobicContact CB-CG2 3.69Å; T1783-T1785 PolarHBondContact O-N 3.44Å; T1785-E1787 PolarHBondContact O-N 2.7Å; T1785-L1788 PolarHBondContact O-N 2.72Å; T1785-K1789 WeakPolarHBondContact O-CB 3.43Å; T1785-K1789 VanDerWaalsContact O-CG 3.28Å; T1785-K1789 WeakPolarHBondContact O-CG 3.37Å; T1785-K1789 PolarHBondContact O-N 3.42Å; T1785-K1789 PolarHBondContact OG1-NZ 3.07Å |
| 1786 | K | 50.9 | Low | 51.6 | Low | 149 Ų | 149 | 82.9 Ų | 82.9 | 65% | 0.648 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -59.8 | -42.3 | 175.8 | -77.9 | -179.4 | 177 | 171.5 | 0 | 112.9 | H1784 K1789 T1790 | H1784-K1786 PolarHBondContact O-N 2.45Å; K1786-K1789 PolarHBondContact O-N 2.89Å; K1786-T1790 WeakPolarHBondContact O-CG2 3.42Å; K1786-T1790 PolarHBondContact O-N 3.08Å; K1786-T1790 PolarHBondContact O-OG1 3.29Å; K1786-T1790 VanDerWaalsContact O-OG1 3.05Å |
| 1787 | E | 51.9 | Low | 52.4 | Low | 87 Ų | 87 | 84.3 Ų | 84.3 | 41% | 0.407 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.1 | -34.4 | -177.6 | -59.9 | -164.9 | 123.8 | 0 | 0 | 112.5 | H1784 T1785 T1790 | H1784-E1787 PolarHBondContact O-N 3.31Å; T1785-E1787 PolarHBondContact O-N 2.7Å; E1787-T1790 PolarHBondContact O-OG1 2.95Å |
| 1788 | L | 56.1 | Low | 52.8 | Low | 27 Ų | 27 | 85.7 Ų | 85.7 | 14% | 0.141 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -70 | -37 | 172.8 | -70.2 | 166.3 | 0 | 0 | 0 | 111.7 | T1785 L1792 L1845 L1865 | T1785-L1788 PolarHBondContact O-N 2.72Å; L1788-L1792 WeakPolarHBondContact O-CD1 3.09Å; L1788-L1792 VanDerWaalsContact O-CG 3.31Å; L1788-L1792 WeakPolarHBondContact O-CG 3.4Å; L1788-L1845 HydrophobicContact CD2-CD1 3.42Å; L1788-L1845 VanDerWaalsContact CD2-CD1 3.42Å; L1788-L1865 HydrophobicContact CD2-CD1 4.01Å; L1788-L1865 HydrophobicContact CD2-CD2 4.45Å |
| 1789 | K | 54.1 | Low | 53.2 | Low | 76 Ų | 76 | 86.4 Ų | 86.4 | 33% | 0.33 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69.8 | -47.7 | 177.6 | -76.4 | 169.4 | 179.7 | 167.3 | 0 | 112.8 | S1756 C1758 T1785 K1786 L1791 L1792 | S1756-K1789 WeakPolarHBondContact OG-CE 3.49Å; S1756-K1789 PolarHBondContact OG-NZ 2.72Å; C1758-K1789 WeakPolarHBondContact SG-CE 3.1Å; C1758-K1789 PolarHBondContact SG-NZ 3.41Å; T1785-K1789 WeakPolarHBondContact O-CB 3.43Å; T1785-K1789 VanDerWaalsContact O-CG 3.28Å; T1785-K1789 WeakPolarHBondContact O-CG 3.37Å; T1785-K1789 PolarHBondContact O-N 3.42Å; T1785-K1789 PolarHBondContact OG1-NZ 3.07Å; K1786-K1789 PolarHBondContact O-N 2.89Å; K1789-L1791 VanDerWaalsContact C-N 3.26Å; K1789-L1791 PolarHBondContact O-N 2.93Å; K1789-L1792 PolarHBondContact O-N 3.03Å |
| 1790 | T | 53.3 | Low | 53.6 | Low | 116 Ų | 116 | 83.9 Ų | 83.9 | 71% | 0.712 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.9 | -22.7 | -176.1 | 52 | 0 | 0 | 0 | 0 | 114 | K1786 E1787 | K1786-T1790 WeakPolarHBondContact O-CG2 3.42Å; K1786-T1790 PolarHBondContact O-N 3.08Å; K1786-T1790 PolarHBondContact O-OG1 3.29Å; K1786-T1790 VanDerWaalsContact O-OG1 3.05Å; E1787-T1790 PolarHBondContact O-OG1 2.95Å |
| 1791 | L | 53 | Low | 54 | Low | 69 Ų | 69 | 83 Ų | 83 | 36% | 0.361 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.6 | 178.9 | -95 | 163.2 | 0 | 0 | 0 | 114.7 | K1789 L1865 H1907 | K1789-L1791 VanDerWaalsContact C-N 3.26Å; K1789-L1791 PolarHBondContact O-N 2.93Å; L1791-L1865 HydrophobicContact CD1-CB 4.2Å; L1791-L1865 HydrophobicContact CD1-CD1 3.49Å; L1791-L1865 VanDerWaalsContact CD1-CD1 3.49Å; L1791-L1865 HydrophobicContact CD1-CG 4.48Å; L1791-H1907 PolarHBondContact O-CE1 3.23Å |
| 1792 | L | 52.2 | Low | 54.2 | Low | 17 Ų | 17 | 80.4 Ų | 80.4 | 9% | 0.089 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -21.3 | -159.8 | -65.7 | -177.8 | 0 | 0 | 0 | 116.1 | L1788 K1789 L1800 F1819 K1821 T1870 | L1788-L1792 WeakPolarHBondContact O-CD1 3.09Å; L1788-L1792 VanDerWaalsContact O-CG 3.31Å; L1788-L1792 WeakPolarHBondContact O-CG 3.4Å; K1789-L1792 PolarHBondContact O-N 3.03Å; L1792-L1800 HydrophobicContact CD1-CD1 3.6Å; L1792-L1800 HydrophobicContact CD1-CD2 3.97Å; L1792-L1800 HydrophobicContact CD1-CG 4.46Å; L1792-F1819 HydrophobicContact CD1-CE2 4.14Å; L1792-F1819 HydrophobicContact CD1-CZ 4.3Å; L1792-F1819 HydrophobicContact CD2-CZ 4.29Å; L1792-K1821 PolarHBondContact O-NZ 3.5Å; L1792-T1870 HydrophobicContact CD2-CG2 3.47Å; L1792-T1870 VanDerWaalsContact CD2-CG2 3.47Å |
| 1793 | T | 46.8 | Very low | 54.3 | Low | 58 Ų | 58 | 74.9 Ų | 74.9 | 36% | 0.356 | 38% | 0.38 | S | S | . | . | trans | -158.7 | 127.5 | -178.9 | 40 | 0 | 0 | 0 | 0 | 113.9 | N1795 Y1798 | T1793-N1795 VanDerWaalsContact C-N 3.31Å; T1793-N1795 VanDerWaalsContact CB-O 3.28Å; T1793-N1795 WeakPolarHBondContact CB-O 3.47Å; T1793-Y1798 HydrophobicContact CG2-CD2 4.3Å | ||
| 1794 | D | 49.5 | Very low | 54.5 | Low | 171 Ų | 171 | 77.6 Ų | 77.6 | 91% | 0.914 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -76.4 | -20.6 | 153.8 | -71.7 | -52.5 | 0 | 0 | 0 | 111.9 | ||
| 1795 | N | 47.4 | Very low | 54.9 | Low | 97 Ų | 97 | 71.5 Ų | 71.5 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -94 | 125.5 | -179.1 | -68.5 | 7.7 | 0 | 0 | 0 | 112.2 | T1793 E1797 | T1793-N1795 VanDerWaalsContact C-N 3.31Å; T1793-N1795 VanDerWaalsContact CB-O 3.28Å; T1793-N1795 WeakPolarHBondContact CB-O 3.47Å; N1795-E1797 PolarHBondContact O-N 3.1Å |
| 1796 | T | 52.4 | Low | 55.3 | Low | 151 Ų | 151 | 72 Ų | 72 | 93% | 0.926 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 28.7 | 180 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1797 | E | 51.7 | Low | 55.7 | Low | 130 Ų | 130 | 67.4 Ų | 67.4 | 61% | 0.607 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | -1.1 | -166.5 | -62.5 | -172.3 | 135.8 | 0 | 0 | 115.1 | N1795 | N1795-E1797 PolarHBondContact O-N 3.1Š|
| 1798 | Y | 54.2 | Low | 55.8 | Low | 116 Ų | 116 | 66.6 Ų | 66.6 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | trans | -125.1 | 131.5 | -176.7 | -67.4 | -91 | 0 | 0 | 0 | 112.3 | T1793 F1822 N1823 | T1793-Y1798 HydrophobicContact CG2-CD2 4.3Å; Y1798-F1822 CarbonylContact C-O 3.51Å; Y1798-F1822 WeakPolarHBondContact CA-O 3.33Å; Y1798-N1823 HydrophobicContact CD1-CB 4.42Å | ||
| 1799 | E | 57.8 | Low | 55.7 | Low | 39 Ų | 39 | 72.1 Ų | 72.1 | 18% | 0.182 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 165.7 | 168.2 | -68.5 | -167.1 | 159.1 | 0 | 0 | 111 | F1822 K1827 | E1799-F1822 HydrophobicContact CB-CD1 4.2Å; E1799-F1822 HydrophobicContact CB-CD2 4.28Å; E1799-F1822 HydrophobicContact CB-CE1 3.62Å; E1799-F1822 HydrophobicContact CB-CE2 3.68Å; E1799-F1822 HydrophobicContact CB-CZ 3.34Å; E1799-F1822 HydrophobicContact CG-CE2 4.37Å; E1799-F1822 HydrophobicContact CG-CZ 4.26Å; E1799-F1822 PolarHBondContact N-O 3.36Å; E1799-F1822 PolarHBondContact O-N 3.31Å; E1799-F1822 WeakPolarHBondContact OE2-CE2 3.22Å; E1799-F1822 WeakPolarHBondContact OE2-CZ 3.4Å; E1799-K1827 IonicContact OE1-NZ 3.24Å; E1799-K1827 WeakPolarHBondContact OE2-CE 3.16Å; E1799-K1827 IonicContact OE2-NZ 3.73Å; E1799-K1827 PolarHBondContact OE2-NZ 3.42Å |
| 1800 | L | 62.3 | Low | 54.9 | Low | 49 Ų | 49 | 75 Ų | 75 | 26% | 0.257 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.6 | -179.3 | -139.5 | 84.5 | 0 | 0 | 0 | 110.6 | L1792 F1819 K1821 | L1792-L1800 HydrophobicContact CD1-CD1 3.6Å; L1792-L1800 HydrophobicContact CD1-CD2 3.97Å; L1792-L1800 HydrophobicContact CD1-CG 4.46Å; L1800-F1819 HydrophobicContact CD1-CD2 3.75Å; L1800-F1819 HydrophobicContact CD1-CE2 3.86Å; L1800-F1819 HydrophobicContact CD2-CB 4.46Å; L1800-F1819 HydrophobicContact CD2-CD2 3.94Å; L1800-F1819 HydrophobicContact CD2-CE2 4.44Å; L1800-F1819 HydrophobicContact CD2-CG 4.31Å; L1800-F1819 HydrophobicContact CG-CD2 3.79Å; L1800-F1819 HydrophobicContact CG-CE2 4.37Å; L1800-F1819 HydrophobicContact CG-CG 4.5Å; L1800-K1821 HydrophobicContact CD1-CG 4.02Å |
| 1801 | H | 63.9 | Low | 54.4 | Low | 22 Ų | 22 | 76.1 Ų | 76.1 | 10% | 0.102 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.8 | 173.7 | -157.9 | 102.1 | 0 | 0 | 0 | 108.7 | Q1759 F1819 A1820 F1822 W1834 | Q1759-H1801 PolarHBondContact NE2-CE1 2.94Å; Q1759-H1801 PolarHBondContact NE2-ND1 3.22Å; H1801-F1819 CarbonylContact O-C 3.59Å; H1801-F1819 WeakPolarHBondContact O-CA 3.25Å; H1801-F1819 WeakPolarHBondContact O-CB 3.47Å; H1801-A1820 HydrophobicContact CB-CB 4.37Å; H1801-A1820 PolarHBondContact N-O 2.98Å; H1801-A1820 PolarHBondContact O-N 3.32Å; H1801-F1822 HydrophobicContact CB-CD1 3.75Å; H1801-F1822 HydrophobicContact CB-CE1 3.64Å; H1801-W1834 HydrophobicContact CB-CZ3 4.42Å; H1801-W1834 AromaticContact CE1-CE3 3.48Å; H1801-W1834 VanDerWaalsContact CE1-CE3 3.48Å; H1801-W1834 AromaticContact CE1-CZ3 3.96Å; H1801-W1834 AromaticContact CG-CE3 3.94Å; H1801-W1834 AromaticContact CG-CZ3 3.98Å; H1801-W1834 AromaticContact ND1-CE3 3.57Å; H1801-W1834 AromaticContact ND1-CZ3 3.58Å; H1801-W1834 AromaticContact NE2-CE3 3.82Å |
| 1802 | I | 64.1 | Low | 54.3 | Low | 14 Ų | 14 | 74.1 Ų | 74.1 | 7% | 0.072 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 125.5 | 171 | -64.7 | 168.6 | 0 | 0 | 0 | 107.6 | Q1744 L1761 V1817 | Q1744-I1802 HydrophobicContact CG-CB 4.37Å; Q1744-I1802 PolarHBondContact NE2-O 3.12Å; Q1744-I1802 PolarHBondContact OE1-O 3.29Å; L1761-I1802 HydrophobicContact CD1-CD1 3.92Å; L1761-I1802 HydrophobicContact CG-CD1 4.01Å; I1802-V1817 HydrophobicContact CB-CG1 4.44Å; I1802-V1817 HydrophobicContact CD1-CG1 4.12Å; I1802-V1817 HydrophobicContact CG1-CG1 3.95Å; I1802-V1817 HydrophobicContact CG2-CG1 3.73Å |
| 1803 | L | 58.5 | Low | 54.7 | Low | 10 Ų | 10 | 76.2 Ų | 76.2 | 5% | 0.052 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | -37 | -177.5 | -68.5 | 172.9 | 0 | 0 | 0 | 111.8 | I1818 A1820 L1840 K1842 | L1803-I1818 HydrophobicContact CB-CB 4.42Å; L1803-I1818 HydrophobicContact CB-CG2 4.16Å; L1803-I1818 HydrophobicContact CD1-CG2 4.1Å; L1803-I1818 PolarHBondContact N-O 2.64Å; L1803-A1820 HydrophobicContact CD1-CB 4Å; L1803-A1820 HydrophobicContact CD2-CB 4.35Å; L1803-A1820 HydrophobicContact CG-CB 4.14Å; L1803-L1840 HydrophobicContact CD2-CD1 4.18Å; L1803-K1842 HydrophobicContact CD1-CD 4.39Å; L1803-K1842 HydrophobicContact CD1-CG 4.07Å |
| 1804 | N | 59.9 | Low | 55.4 | Low | 66 Ų | 66 | 75.2 Ų | 75.2 | 35% | 0.353 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 145.9 | 177.5 | -168.2 | 12.6 | 0 | 0 | 0 | 109.9 | I1818 | N1804-I1818 HydrophobicContact CB-CB 4.29Å; N1804-I1818 HydrophobicContact CB-CD1 4.3Å; N1804-I1818 HydrophobicContact CB-CG1 4.44Å; N1804-I1818 PolarHBondContact N-O 3.04Å; N1804-I1818 PolarHBondContact O-N 3.46Å |
| 1805 | C | 61 | Low | 56.1 | Low | 14 Ų | 14 | 67.3 Ų | 67.3 | 10% | 0.095 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 127.1 | 170.2 | -174 | 0 | 0 | 0 | 0 | 107.9 | F1733 V1816 | F1733-C1805 HydrophobicContact CE1-CB 4.21Å; F1733-C1805 WeakPolarHBondContact CE1-O 3.26Å; C1805-V1816 WeakPolarHBondContact CA-O 3.41Å |
| 1806 | A | 59.5 | Low | 57 | Low | 35 Ų | 35 | 64.1 Ų | 64.1 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 145.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | V1816 | A1806-V1816 PolarHBondContact N-O 2.85Å; A1806-V1816 PolarHBondContact O-N 3.4Å |
| 1807 | P | 59.4 | Low | 57.6 | Low | 52 Ų | 52 | 57 Ų | 57 | 34% | 0.338 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 143.7 | 169.6 | 31.7 | -33.5 | 0 | 0 | 0 | 110.2 | F1733 | F1733-P1807 HydrophobicContact CD2-CG 4.36Å; F1733-P1807 HydrophobicContact CE2-CG 4.22Å |
| 1808 | I | 54.9 | Low | 58.3 | Low | 69 Ų | 69 | 53.6 Ų | 53.6 | 35% | 0.354 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -75.3 | -36.8 | -176 | -57.7 | -178.2 | 0 | 0 | 0 | 111.6 | L1814 V1816 L1846 | I1808-L1814 HydrophobicContact CD1-CB 3.86Å; I1808-L1814 HydrophobicContact CG1-CB 4.29Å; I1808-L1814 PolarHBondContact N-O 2.97Å; I1808-V1816 HydrophobicContact CD1-CG2 3.83Å; I1808-V1816 HydrophobicContact CG1-CG2 3.73Å; I1808-L1846 HydrophobicContact CD1-CD1 3.33Å |
| 1809 | Q | 53.1 | Low | 58.9 | Low | 144 Ų | 144 | 48.1 Ų | 48.1 | 67% | 0.673 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -136.6 | 158.7 | 172.9 | -67.6 | 179.8 | -44.2 | 0 | 0 | 107.9 | D1811 S1812 | Q1809-D1811 PolarHBondContact O-N 3.01Å; Q1809-S1812 PolarHBondContact N-OG 3.07Å; Q1809-S1812 PolarHBondContact O-OG 3.21Å |
| 1810 | N | 38.4 | Very low | 59.3 | Low | 137 Ų | 137 | 46.3 Ų | 46.3 | 73% | 0.733 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 138 | 155 | -63.8 | -14.6 | 0 | 0 | 0 | 107.2 | ||
| 1811 | D | 43.3 | Very low | 59.3 | Low | 138 Ų | 138 | 46.1 Ų | 46.1 | 74% | 0.738 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 23.1 | 179.8 | -46.1 | -35.3 | 0 | 0 | 0 | 117 | S1736 Q1809 | S1736-D1811 VanDerWaalsContact CB-OD1 3.25Å; S1736-D1811 WeakPolarHBondContact CB-OD1 3.5Å; S1736-D1811 WeakPolarHBondContact OG-CA 3.41Å; S1736-D1811 PolarHBondContact OG-N 3.28Å; S1736-D1811 PolarHBondContact OG-OD1 2.97Å; Q1809-D1811 PolarHBondContact O-N 3.01Å |
| 1812 | S | 50.8 | Low | 59.1 | Low | 27 Ų | 27 | 45.4 Ų | 45.4 | 19% | 0.189 | 25% | 0.251 | C | S | . | . | trans | -115.5 | 132.7 | 175 | 72.2 | 0 | 0 | 0 | 0 | 115.3 | Q1809 L1814 | Q1809-S1812 PolarHBondContact N-OG 3.07Å; Q1809-S1812 PolarHBondContact O-OG 3.21Å; S1812-L1814 PolarHBondContact O-N 3.2Å; S1812-L1814 PolarHBondContact OG-O 3.46Å | ||
| 1813 | S | 60 | Low | 59 | Low | 61 Ų | 61 | 46.8 Ų | 46.8 | 43% | 0.427 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -68.4 | 0.4 | 162.4 | 53.8 | 0 | 0 | 0 | 0 | 114 | I1849 | S1813-I1849 PolarHBondContact O-N 3.3Å; S1813-I1849 VanDerWaalsContact O-N 3.16Å |
| 1814 | L | 62.4 | Low | 59.1 | Low | 38 Ų | 38 | 51.2 Ų | 51.2 | 20% | 0.199 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.4 | -179.4 | -68.2 | 159.2 | 0 | 0 | 0 | 110.6 | I1808 S1812 L1846 A1847 E1848 L1866 | I1808-L1814 HydrophobicContact CD1-CB 3.86Å; I1808-L1814 HydrophobicContact CG1-CB 4.29Å; I1808-L1814 PolarHBondContact N-O 2.97Å; S1812-L1814 PolarHBondContact O-N 3.2Å; S1812-L1814 PolarHBondContact OG-O 3.46Å; L1814-L1846 HydrophobicContact CD2-CD1 4.36Å; L1814-A1847 WeakPolarHBondContact CA-O 3.35Å; L1814-E1848 HydrophobicContact CD2-CB 4.39Å; L1814-L1866 HydrophobicContact CD2-CD1 3.37Å |
| 1815 | L | 63.7 | Low | 58.9 | Low | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.6 | 174.8 | -62.4 | 178.1 | 0 | 0 | 0 | 110.4 | F1733 F1763 V1817 A1847 I1849 | F1733-L1815 HydrophobicContact CE2-CD2 4.36Å; F1733-L1815 HydrophobicContact CZ-CD2 3.83Å; F1763-L1815 HydrophobicContact CE1-CD1 4.19Å; F1763-L1815 HydrophobicContact CZ-CD1 4.31Å; L1815-V1817 HydrophobicContact CB-CG2 4.34Å; L1815-A1847 PolarHBondContact N-O 3.15Å; L1815-A1847 PolarHBondContact O-N 3.39Å; L1815-I1849 HydrophobicContact CD1-CD1 4.03Å; L1815-I1849 HydrophobicContact CD1-CG1 4.08Å; L1815-I1849 HydrophobicContact CG-CD1 4.41Å; L1815-I1849 HydrophobicContact CG-CG1 4.49Å |
| 1816 | V | 66 | Low | 58.8 | Low | 31 Ų | 31 | 59.3 Ų | 59.3 | 19% | 0.188 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.2 | 156.3 | 163.2 | 0 | 0 | 0 | 0 | 107.7 | C1805 A1806 I1808 I1818 M1844 | C1805-V1816 WeakPolarHBondContact CA-O 3.41Å; A1806-V1816 PolarHBondContact N-O 2.85Å; A1806-V1816 PolarHBondContact O-N 3.4Å; I1808-V1816 HydrophobicContact CD1-CG2 3.83Å; I1808-V1816 HydrophobicContact CG1-CG2 3.73Å; V1816-I1818 HydrophobicContact CG1-CG1 3.94Å; V1816-M1844 HydrophobicContact CG1-CG 3.85Å; V1816-M1844 HydrophobicContact CG1-SD 3.93Å |
| 1817 | V | 64.7 | Low | 58.6 | Low | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 105.6 | 171.9 | -173.5 | 0 | 0 | 0 | 0 | 107.4 | L1761 I1802 L1815 L1845 | L1761-V1817 HydrophobicContact CD1-CG1 4.49Å; L1761-V1817 HydrophobicContact CD1-CG2 4.11Å; I1802-V1817 HydrophobicContact CB-CG1 4.44Å; I1802-V1817 HydrophobicContact CD1-CG1 4.12Å; I1802-V1817 HydrophobicContact CG1-CG1 3.95Å; I1802-V1817 HydrophobicContact CG2-CG1 3.73Å; L1815-V1817 HydrophobicContact CB-CG2 4.34Å; V1817-L1845 HydrophobicContact CB-CB 4.24Å; V1817-L1845 PolarHBondContact N-O 3.14Å; V1817-L1845 PolarHBondContact O-N 2.92Å |
| 1818 | I | 66.4 | Low | 58.2 | Low | 58 Ų | 58 | 64.9 Ų | 64.9 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 130.3 | 169.2 | -50.4 | -177 | 0 | 0 | 0 | 106.7 | L1803 N1804 V1816 | L1803-I1818 HydrophobicContact CB-CB 4.42Å; L1803-I1818 HydrophobicContact CB-CG2 4.16Å; L1803-I1818 HydrophobicContact CD1-CG2 4.1Å; L1803-I1818 PolarHBondContact N-O 2.64Å; N1804-I1818 HydrophobicContact CB-CB 4.29Å; N1804-I1818 HydrophobicContact CB-CD1 4.3Å; N1804-I1818 HydrophobicContact CB-CG1 4.44Å; N1804-I1818 PolarHBondContact N-O 3.04Å; N1804-I1818 PolarHBondContact O-N 3.46Å; V1816-I1818 HydrophobicContact CG1-CG1 3.94Å |
| 1819 | F | 66.3 | Low | 58 | Low | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 166.4 | 179.6 | 70.3 | -81.8 | 0 | 0 | 0 | 111.2 | L1792 L1800 H1801 K1821 K1842 G1843 M1844 L1845 T1870 | L1792-F1819 HydrophobicContact CD1-CE2 4.14Å; L1792-F1819 HydrophobicContact CD1-CZ 4.3Å; L1792-F1819 HydrophobicContact CD2-CZ 4.29Å; L1800-F1819 HydrophobicContact CD1-CD2 3.75Å; L1800-F1819 HydrophobicContact CD1-CE2 3.86Å; L1800-F1819 HydrophobicContact CD2-CB 4.46Å; L1800-F1819 HydrophobicContact CD2-CD2 3.94Å; L1800-F1819 HydrophobicContact CD2-CE2 4.44Å; L1800-F1819 HydrophobicContact CD2-CG 4.31Å; L1800-F1819 HydrophobicContact CG-CD2 3.79Å; L1800-F1819 HydrophobicContact CG-CE2 4.37Å; L1800-F1819 HydrophobicContact CG-CG 4.5Å; H1801-F1819 CarbonylContact O-C 3.59Å; H1801-F1819 WeakPolarHBondContact O-CA 3.25Å; H1801-F1819 WeakPolarHBondContact O-CB 3.47Å; F1819-K1821 HydrophobicContact CE2-CG 4.22Å; F1819-K1842 CarbonylContact O-C 3.57Å; F1819-K1842 WeakPolarHBondContact O-CA 3.31Å; F1819-G1843 WeakPolarHBondContact CD1-O 3.42Å; F1819-G1843 PolarHBondContact N-O 2.88Å; F1819-G1843 PolarHBondContact O-N 3.31Å; F1819-M1844 VanDerWaalsContact CE1-N 3.35Å; F1819-L1845 HydrophobicContact CD1-CD1 4.3Å; F1819-L1845 HydrophobicContact CD1-CD2 4.26Å; F1819-L1845 HydrophobicContact CD1-CG 3.74Å; F1819-L1845 HydrophobicContact CE1-CD1 4.27Å; F1819-L1845 HydrophobicContact CE1-CD2 3.46Å; F1819-L1845 VanDerWaalsContact CE1-CD2 3.46Å; F1819-L1845 HydrophobicContact CE1-CG 3.47Å; F1819-L1845 VanDerWaalsContact CE1-CG 3.47Å; F1819-L1845 HydrophobicContact CZ-CD2 3.99Å; F1819-L1845 HydrophobicContact CZ-CG 4.36Å; F1819-T1870 HydrophobicContact CE2-CG2 4.42Å; F1819-T1870 HydrophobicContact CZ-CG2 3.66Å |
| 1820 | A | 65.8 | Low | 57.8 | Low | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 144.1 | 167 | 0 | 0 | 0 | 0 | 0 | 109.2 | H1801 L1803 L1840 | H1801-A1820 HydrophobicContact CB-CB 4.37Å; H1801-A1820 PolarHBondContact N-O 2.98Å; H1801-A1820 PolarHBondContact O-N 3.32Å; L1803-A1820 HydrophobicContact CD1-CB 4Å; L1803-A1820 HydrophobicContact CD2-CB 4.35Å; L1803-A1820 HydrophobicContact CG-CB 4.14Å; A1820-L1840 HydrophobicContact CB-CB 3.66Å; A1820-L1840 HydrophobicContact CB-CD1 3.76Å; A1820-L1840 HydrophobicContact CB-CD2 4.12Å; A1820-L1840 HydrophobicContact CB-CG 4.06Å |
| 1821 | K | 63.2 | Low | 58.3 | Low | 45 Ų | 45 | 61 Ų | 61 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 141.7 | 156.6 | -69.7 | -173.3 | 172.3 | -172.6 | 0 | 108.2 | L1792 L1800 F1819 P1841 | L1792-K1821 PolarHBondContact O-NZ 3.5Å; L1800-K1821 HydrophobicContact CD1-CG 4.02Å; F1819-K1821 HydrophobicContact CE2-CG 4.22Å; K1821-P1841 HydrophobicContact CB-CG 4.44Å; K1821-P1841 PolarHBondContact N-O 2.88Å; K1821-P1841 WeakPolarHBondContact O-CD 3.36Å; K1821-P1841 VanDerWaalsContact O-CG 3.22Å; K1821-P1841 WeakPolarHBondContact O-CG 3.27Å |
| 1822 | F | 59.4 | Low | 58.7 | Low | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.035 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 165.8 | 171.8 | 71.4 | -83.9 | 0 | 0 | 0 | 110.5 | Y1798 E1799 H1801 I1826 K1827 L1840 | Y1798-F1822 CarbonylContact C-O 3.51Å; Y1798-F1822 WeakPolarHBondContact CA-O 3.33Å; E1799-F1822 HydrophobicContact CB-CD1 4.2Å; E1799-F1822 HydrophobicContact CB-CD2 4.28Å; E1799-F1822 HydrophobicContact CB-CE1 3.62Å; E1799-F1822 HydrophobicContact CB-CE2 3.68Å; E1799-F1822 HydrophobicContact CB-CZ 3.34Å; E1799-F1822 HydrophobicContact CG-CE2 4.37Å; E1799-F1822 HydrophobicContact CG-CZ 4.26Å; E1799-F1822 PolarHBondContact N-O 3.36Å; E1799-F1822 PolarHBondContact O-N 3.31Å; E1799-F1822 WeakPolarHBondContact OE2-CE2 3.22Å; E1799-F1822 WeakPolarHBondContact OE2-CZ 3.4Å; H1801-F1822 HydrophobicContact CB-CD1 3.75Å; H1801-F1822 HydrophobicContact CB-CE1 3.64Å; F1822-I1826 HydrophobicContact CB-CB 4.3Å; F1822-I1826 HydrophobicContact CB-CD1 4.28Å; F1822-K1827 HydrophobicContact CD2-CG 4.22Å; F1822-K1827 HydrophobicContact CE2-CD 4.1Å; F1822-K1827 HydrophobicContact CE2-CG 3.81Å; F1822-L1840 HydrophobicContact CB-CD2 3.88Å |
| 1823 | N | 61.8 | Low | 59 | Low | 43 Ų | 43 | 56.6 Ų | 56.6 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | trans | -118.8 | 165.5 | 166.2 | 66.6 | 39.8 | 0 | 0 | 0 | 108.5 | Y1798 R1825 I1826 | Y1798-N1823 HydrophobicContact CD1-CB 4.42Å; N1823-R1825 PolarHBondContact O-N 3.21Å; N1823-R1825 VanDerWaalsContact OD1-CB 3.28Å; N1823-R1825 WeakPolarHBondContact OD1-CB 3.37Å; N1823-R1825 PolarHBondContact OD1-N 2.98Å; N1823-I1826 PolarHBondContact O-N 2.8Å | ||
| 1824 | D | 60.2 | Low | 58.8 | Low | 103 Ų | 103 | 56.9 Ų | 56.9 | 55% | 0.551 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -12.8 | -175.2 | -74.5 | -54.3 | 0 | 0 | 0 | 115.5 | K1827 | D1824-K1827 WeakPolarHBondContact OD1-CD 3.5Å; D1824-K1827 IonicContact OD1-NZ 3.61Å; D1824-K1827 PolarHBondContact OD1-NZ 3.03Å |
| 1825 | R | 56.7 | Low | 58.2 | Low | 210 Ų | 210 | 60.3 Ų | 60.3 | 79% | 0.792 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -33.9 | 174.2 | -50.7 | -175.7 | -176.7 | 170.8 | 4.5 | 111.8 | N1823 K1827 S1828 | N1823-R1825 PolarHBondContact O-N 3.21Å; N1823-R1825 VanDerWaalsContact OD1-CB 3.28Å; N1823-R1825 WeakPolarHBondContact OD1-CB 3.37Å; N1823-R1825 PolarHBondContact OD1-N 2.98Å; R1825-K1827 VanDerWaalsContact C-N 3.3Å; R1825-K1827 PolarHBondContact O-N 2.75Å; R1825-S1828 PolarHBondContact O-N 2.85Å; R1825-S1828 PolarHBondContact O-OG 3.05Å |
| 1826 | I | 58.2 | Low | 57.5 | Low | 40 Ų | 40 | 62.3 Ų | 62.3 | 21% | 0.205 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -73.5 | -23.3 | -177.3 | -56.3 | 171.4 | 0 | 0 | 0 | 111.5 | F1822 N1823 S1828 D1829 V1832 L1840 | F1822-I1826 HydrophobicContact CB-CB 4.3Å; F1822-I1826 HydrophobicContact CB-CD1 4.28Å; N1823-I1826 PolarHBondContact O-N 2.8Å; I1826-S1828 PolarHBondContact O-N 3.07Å; I1826-D1829 PolarHBondContact O-N 3.1Å; I1826-V1832 HydrophobicContact CG2-CG2 3.86Å; I1826-L1840 HydrophobicContact CG2-CD2 3.68Å |
| 1827 | K | 56 | Low | 56.9 | Low | 103 Ų | 103 | 60.8 Ų | 60.8 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -53.4 | -18.4 | 169.8 | -82.4 | 174.9 | 171.2 | 145 | 0 | 114.1 | E1799 F1822 D1824 R1825 | E1799-K1827 IonicContact OE1-NZ 3.24Å; E1799-K1827 WeakPolarHBondContact OE2-CE 3.16Å; E1799-K1827 IonicContact OE2-NZ 3.73Å; E1799-K1827 PolarHBondContact OE2-NZ 3.42Å; F1822-K1827 HydrophobicContact CD2-CG 4.22Å; F1822-K1827 HydrophobicContact CE2-CD 4.1Å; F1822-K1827 HydrophobicContact CE2-CG 3.81Å; D1824-K1827 WeakPolarHBondContact OD1-CD 3.5Å; D1824-K1827 IonicContact OD1-NZ 3.61Å; D1824-K1827 PolarHBondContact OD1-NZ 3.03Å; R1825-K1827 VanDerWaalsContact C-N 3.3Å; R1825-K1827 PolarHBondContact O-N 2.75Å |
| 1828 | S | 50 | Low | 56.4 | Low | 100 Ų | 100 | 63.4 Ų | 63.4 | 70% | 0.699 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -102.6 | -1.6 | -179 | 68.6 | 0 | 0 | 0 | 0 | 115.3 | R1825 I1826 | R1825-S1828 PolarHBondContact O-N 2.85Å; R1825-S1828 PolarHBondContact O-OG 3.05Å; I1826-S1828 PolarHBondContact O-N 3.07Å |
| 1829 | D | 52.2 | Low | 55.7 | Low | 70 Ų | 70 | 62.6 Ų | 62.6 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | trans | -85.6 | 121.3 | -172.9 | -161.6 | -31.9 | 0 | 0 | 0 | 112.2 | I1826 S1831 V1832 | I1826-D1829 PolarHBondContact O-N 3.1Å; D1829-S1831 VanDerWaalsContact C-N 3.31Å; D1829-S1831 VanDerWaalsContact CG-OG 3.27Å; D1829-S1831 WeakPolarHBondContact OD1-CB 3.28Å; D1829-S1831 PolarHBondContact OD1-N 2.94Å; D1829-S1831 PolarHBondContact OD1-OG 3.13Å; D1829-S1831 PolarHBondContact OD2-OG 2.97Å; D1829-V1832 HydrophobicContact CB-CG2 3.91Å; D1829-V1832 PolarHBondContact O-N 3.37Å | ||
| 1830 | L | 49.1 | Very low | 55.3 | Low | 145 Ų | 145 | 62.9 Ų | 62.9 | 76% | 0.759 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -11 | -180 | -77.7 | 162 | 0 | 0 | 0 | 113.6 | V1832 | L1830-V1832 VanDerWaalsContact C-N 3.3Š|
| 1831 | S | 48.7 | Very low | 54.9 | Low | 54 Ų | 54 | 64.3 Ų | 64.3 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.9 | 172.9 | 71.1 | 0 | 0 | 0 | 0 | 113 | D1829 D1833 | D1829-S1831 VanDerWaalsContact C-N 3.31Å; D1829-S1831 VanDerWaalsContact CG-OG 3.27Å; D1829-S1831 WeakPolarHBondContact OD1-CB 3.28Å; D1829-S1831 PolarHBondContact OD1-N 2.94Å; D1829-S1831 PolarHBondContact OD1-OG 3.13Å; D1829-S1831 PolarHBondContact OD2-OG 2.97Å; S1831-D1833 PolarHBondContact O-N 3.12Å |
| 1832 | V | 50.9 | Low | 54.9 | Low | 11 Ų | 11 | 63.4 Ų | 63.4 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | trans | -84.9 | 110.5 | 179.5 | 176.5 | 0 | 0 | 0 | 0 | 111.3 | I1826 D1829 L1830 W1834 M1838 L1840 | I1826-V1832 HydrophobicContact CG2-CG2 3.86Å; D1829-V1832 HydrophobicContact CB-CG2 3.91Å; D1829-V1832 PolarHBondContact O-N 3.37Å; L1830-V1832 VanDerWaalsContact C-N 3.3Å; V1832-W1834 HydrophobicContact CB-CZ2 4.35Å; V1832-W1834 HydrophobicContact CG1-CD2 3.76Å; V1832-W1834 VanDerWaalsContact CG1-CE2 3.45Å; V1832-W1834 HydrophobicContact CG1-CE3 4.3Å; V1832-W1834 HydrophobicContact CG1-CG 4.09Å; V1832-W1834 HydrophobicContact CG1-CH2 4.32Å; V1832-W1834 HydrophobicContact CG1-CZ2 3.76Å; V1832-W1834 VanDerWaalsContact O-CD1 3.31Å; V1832-W1834 PolarHBondContact O-N 3.41Å; V1832-M1838 WeakPolarHBondContact CA-O 3.48Å; V1832-L1840 HydrophobicContact CG1-CD1 3.53Å; V1832-L1840 HydrophobicContact CG1-CD2 4.36Å; V1832-L1840 HydrophobicContact CG1-CG 3.66Å; V1832-L1840 HydrophobicContact CG2-CG 4.46Å | ||
| 1833 | D | 56.8 | Low | 54.9 | Low | 62 Ų | 62 | 63.1 Ų | 63.1 | 33% | 0.332 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -85.3 | 99 | 166.8 | 176.7 | 4.8 | 0 | 0 | 0 | 109.1 | S1831 I1835 T1836 G1837 M1838 | S1831-D1833 PolarHBondContact O-N 3.12Å; D1833-I1835 PolarHBondContact O-N 2.86Å; D1833-I1835 WeakPolarHBondContact OD1-CA 3.49Å; D1833-I1835 VanDerWaalsContact OD1-CB 3.29Å; D1833-I1835 WeakPolarHBondContact OD1-CB 3.49Å; D1833-I1835 PolarHBondContact OD1-N 2.98Å; D1833-T1836 PolarHBondContact O-N 3.44Å; D1833-T1836 PolarHBondContact OD1-N 3.26Å; D1833-T1836 WeakPolarHBondContact OD2-CB 3.36Å; D1833-T1836 VanDerWaalsContact OD2-CG2 3.25Å; D1833-T1836 WeakPolarHBondContact OD2-CG2 3.28Å; D1833-T1836 PolarHBondContact OD2-OG1 3.14Å; D1833-G1837 WeakPolarHBondContact O-CA 3.14Å; D1833-G1837 PolarHBondContact O-N 3.42Å; D1833-M1838 HydrophobicContact CB-CB 4.08Å; D1833-M1838 HydrophobicContact CB-CG 4.43Å; D1833-M1838 PolarHBondContact N-O 3.32Å; D1833-M1838 PolarHBondContact O-N 2.77Å |
| 1834 | W | 55.3 | Low | 55.3 | Low | 67 Ų | 67 | 62.2 Ų | 62.2 | 25% | 0.254 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.3 | 178.3 | -59.1 | 88.7 | 0 | 0 | 0 | 113.7 | H1801 V1832 L1840 | H1801-W1834 HydrophobicContact CB-CZ3 4.42Å; H1801-W1834 AromaticContact CE1-CE3 3.48Å; H1801-W1834 VanDerWaalsContact CE1-CE3 3.48Å; H1801-W1834 AromaticContact CE1-CZ3 3.96Å; H1801-W1834 AromaticContact CG-CE3 3.94Å; H1801-W1834 AromaticContact CG-CZ3 3.98Å; H1801-W1834 AromaticContact ND1-CE3 3.57Å; H1801-W1834 AromaticContact ND1-CZ3 3.58Å; H1801-W1834 AromaticContact NE2-CE3 3.82Å; V1832-W1834 HydrophobicContact CB-CZ2 4.35Å; V1832-W1834 HydrophobicContact CG1-CD2 3.76Å; V1832-W1834 VanDerWaalsContact CG1-CE2 3.45Å; V1832-W1834 HydrophobicContact CG1-CE3 4.3Å; V1832-W1834 HydrophobicContact CG1-CG 4.09Å; V1832-W1834 HydrophobicContact CG1-CH2 4.32Å; V1832-W1834 HydrophobicContact CG1-CZ2 3.76Å; V1832-W1834 VanDerWaalsContact O-CD1 3.31Å; V1832-W1834 PolarHBondContact O-N 3.41Å; W1834-L1840 HydrophobicContact CD2-CD1 4.48Å; W1834-L1840 HydrophobicContact CE3-CD1 3.86Å; W1834-L1840 HydrophobicContact CH2-CD1 4.42Å; W1834-L1840 HydrophobicContact CH2-CD2 4.46Å; W1834-L1840 HydrophobicContact CZ3-CD1 3.84Å; W1834-L1840 HydrophobicContact CZ3-CD2 4.45Å |
| 1835 | I | 49.9 | Very low | 55.6 | Low | 109 Ų | 109 | 57.5 Ų | 57.5 | 56% | 0.559 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -35.2 | 179 | -50 | -178.8 | 0 | 0 | 0 | 111.4 | D1833 | D1833-I1835 PolarHBondContact O-N 2.86Å; D1833-I1835 WeakPolarHBondContact OD1-CA 3.49Å; D1833-I1835 VanDerWaalsContact OD1-CB 3.29Å; D1833-I1835 WeakPolarHBondContact OD1-CB 3.49Å; D1833-I1835 PolarHBondContact OD1-N 2.98Å |
| 1836 | T | 50.8 | Low | 56.1 | Low | 46 Ų | 46 | 47.8 Ų | 47.8 | 28% | 0.282 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -4.2 | 179.3 | 67.6 | 0 | 0 | 0 | 0 | 114 | D1833 M1838 K1842 | D1833-T1836 PolarHBondContact O-N 3.44Å; D1833-T1836 PolarHBondContact OD1-N 3.26Å; D1833-T1836 WeakPolarHBondContact OD2-CB 3.36Å; D1833-T1836 VanDerWaalsContact OD2-CG2 3.25Å; D1833-T1836 WeakPolarHBondContact OD2-CG2 3.28Å; D1833-T1836 PolarHBondContact OD2-OG1 3.14Å; T1836-M1838 VanDerWaalsContact C-N 3.27Å; T1836-M1838 PolarHBondContact O-N 3.35Å; T1836-M1838 WeakPolarHBondContact OG1-CG 3.36Å; T1836-K1842 WeakPolarHBondContact O-CE 3.41Å; T1836-K1842 PolarHBondContact O-NZ 3.36Å |
| 1837 | G | 51.7 | Low | 56.4 | Low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 21.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1833 L1840 K1842 | D1833-G1837 WeakPolarHBondContact O-CA 3.14Å; D1833-G1837 PolarHBondContact O-N 3.42Å; G1837-L1840 PolarHBondContact O-N 3.25Å; G1837-K1842 WeakPolarHBondContact O-CE 3.46Å |
| 1838 | M | 54.8 | Low | 57 | Low | 56 Ų | 56 | 44.1 Ų | 44.1 | 28% | 0.276 | 25% | 0.25 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 141.1 | 174.1 | -62.7 | -87.4 | -73.6 | 0 | 0 | 109.2 | V1832 D1833 T1836 L1840 P1877 | V1832-M1838 WeakPolarHBondContact CA-O 3.48Å; D1833-M1838 HydrophobicContact CB-CB 4.08Å; D1833-M1838 HydrophobicContact CB-CG 4.43Å; D1833-M1838 PolarHBondContact N-O 3.32Å; D1833-M1838 PolarHBondContact O-N 2.77Å; T1836-M1838 VanDerWaalsContact C-N 3.27Å; T1836-M1838 PolarHBondContact O-N 3.35Å; T1836-M1838 WeakPolarHBondContact OG1-CG 3.36Å; M1838-L1840 VanDerWaalsContact C-N 3.27Å; M1838-L1840 PolarHBondContact O-N 2.91Å; M1838-P1877 WeakPolarHBondContact CE-O 3.28Å |
| 1839 | G | 51.7 | Low | 57.7 | Low | 42 Ų | 42 | 41 Ų | 41 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -1.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1840 | L | 58.2 | Low | 58.4 | Low | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -111.6 | 142.2 | 179.8 | -76.8 | 165.1 | 0 | 0 | 0 | 112.8 | L1803 A1820 F1822 I1826 V1832 W1834 G1837 M1838 K1842 | L1803-L1840 HydrophobicContact CD2-CD1 4.18Å; A1820-L1840 HydrophobicContact CB-CB 3.66Å; A1820-L1840 HydrophobicContact CB-CD1 3.76Å; A1820-L1840 HydrophobicContact CB-CD2 4.12Å; A1820-L1840 HydrophobicContact CB-CG 4.06Å; F1822-L1840 HydrophobicContact CB-CD2 3.88Å; I1826-L1840 HydrophobicContact CG2-CD2 3.68Å; V1832-L1840 HydrophobicContact CG1-CD1 3.53Å; V1832-L1840 HydrophobicContact CG1-CD2 4.36Å; V1832-L1840 HydrophobicContact CG1-CG 3.66Å; V1832-L1840 HydrophobicContact CG2-CG 4.46Å; W1834-L1840 HydrophobicContact CD2-CD1 4.48Å; W1834-L1840 HydrophobicContact CE3-CD1 3.86Å; W1834-L1840 HydrophobicContact CH2-CD1 4.42Å; W1834-L1840 HydrophobicContact CH2-CD2 4.46Å; W1834-L1840 HydrophobicContact CZ3-CD1 3.84Å; W1834-L1840 HydrophobicContact CZ3-CD2 4.45Å; G1837-L1840 PolarHBondContact O-N 3.25Å; M1838-L1840 VanDerWaalsContact C-N 3.27Å; M1838-L1840 PolarHBondContact O-N 2.91Å; L1840-K1842 WeakPolarHBondContact O-CG 3.36Å; L1840-K1842 PolarHBondContact O-N 2.77Å |
| 1841 | P | 57.6 | Low | 59.1 | Low | 30 Ų | 30 | 38.8 Ų | 38.8 | 20% | 0.195 | 21% | 0.21 | C | C | . | . | trans | -71.5 | 99 | 173.4 | 29.3 | -32.9 | 0 | 0 | 0 | 110.1 | K1821 E1874 | K1821-P1841 HydrophobicContact CB-CG 4.44Å; K1821-P1841 PolarHBondContact N-O 2.88Å; K1821-P1841 WeakPolarHBondContact O-CD 3.36Å; K1821-P1841 VanDerWaalsContact O-CG 3.22Å; K1821-P1841 WeakPolarHBondContact O-CG 3.27Å; P1841-E1874 HydrophobicContact CB-CG 4.29Å | ||
| 1842 | K | 62.5 | Low | 59.5 | Low | 25 Ų | 25 | 38.1 Ų | 38.1 | 11% | 0.109 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 150.2 | -175.2 | -58.7 | -175.9 | -174.8 | 178.2 | 0 | 112.3 | L1803 F1819 T1836 G1837 L1840 | L1803-K1842 HydrophobicContact CD1-CD 4.39Å; L1803-K1842 HydrophobicContact CD1-CG 4.07Å; F1819-K1842 CarbonylContact O-C 3.57Å; F1819-K1842 WeakPolarHBondContact O-CA 3.31Å; T1836-K1842 WeakPolarHBondContact O-CE 3.41Å; T1836-K1842 PolarHBondContact O-NZ 3.36Å; G1837-K1842 WeakPolarHBondContact O-CE 3.46Å; L1840-K1842 WeakPolarHBondContact O-CG 3.36Å; L1840-K1842 PolarHBondContact O-N 2.77Å |
| 1843 | G | 60.7 | Low | 59.5 | Low | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 164.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F1819 I1869 | F1819-G1843 WeakPolarHBondContact CD1-O 3.42Å; F1819-G1843 PolarHBondContact N-O 2.88Å; F1819-G1843 PolarHBondContact O-N 3.31Å; G1843-I1869 CarbonylContact C-O 3.54Å; G1843-I1869 WeakPolarHBondContact CA-O 3.37Å |
| 1844 | M | 69 | Low | 58.9 | Low | 24 Ų | 24 | 49.2 Ų | 49.2 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 125.3 | 175.8 | -166.4 | -174.2 | 76.6 | 0 | 0 | 109.6 | V1816 F1819 I1869 Y1883 | V1816-M1844 HydrophobicContact CG1-CG 3.85Å; V1816-M1844 HydrophobicContact CG1-SD 3.93Å; F1819-M1844 VanDerWaalsContact CE1-N 3.35Å; M1844-I1869 HydrophobicContact CE-CD1 4.14Å; M1844-I1869 PolarHBondContact N-O 3.29Å; M1844-I1869 PolarHBondContact O-N 3.49Å; M1844-Y1883 HydrophobicContact CE-CD1 3.76Å; M1844-Y1883 HydrophobicContact CE-CG 3.81Å |
| 1845 | L | 66.1 | Low | 58.1 | Low | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.9 | 168.1 | -49.8 | 175.3 | 0 | 0 | 0 | 108.8 | L1788 V1817 F1819 L1865 R1867 | L1788-L1845 HydrophobicContact CD2-CD1 3.42Å; L1788-L1845 VanDerWaalsContact CD2-CD1 3.42Å; V1817-L1845 HydrophobicContact CB-CB 4.24Å; V1817-L1845 PolarHBondContact N-O 3.14Å; V1817-L1845 PolarHBondContact O-N 2.92Å; F1819-L1845 HydrophobicContact CD1-CD1 4.3Å; F1819-L1845 HydrophobicContact CD1-CD2 4.26Å; F1819-L1845 HydrophobicContact CD1-CG 3.74Å; F1819-L1845 HydrophobicContact CE1-CD1 4.27Å; F1819-L1845 HydrophobicContact CE1-CD2 3.46Å; F1819-L1845 VanDerWaalsContact CE1-CD2 3.46Å; F1819-L1845 HydrophobicContact CE1-CG 3.47Å; F1819-L1845 VanDerWaalsContact CE1-CG 3.47Å; F1819-L1845 HydrophobicContact CZ-CD2 3.99Å; F1819-L1845 HydrophobicContact CZ-CG 4.36Å; L1845-L1865 HydrophobicContact CB-CD2 3.92Å; L1845-L1865 HydrophobicContact CD1-CD2 3.82Å; L1845-L1865 HydrophobicContact CD2-CD2 4.4Å; L1845-L1865 HydrophobicContact CG-CD2 4.25Å; L1845-R1867 WeakPolarHBondContact CA-O 3.39Å |
| 1846 | L | 68.4 | Low | 57.8 | Low | 5 Ų | 5 | 55.1 Ų | 55.1 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.2 | 161.4 | 177.3 | 67.8 | 0 | 0 | 0 | 106.8 | I1808 L1814 L1866 R1867 F1885 | I1808-L1846 HydrophobicContact CD1-CD1 3.33Å; L1814-L1846 HydrophobicContact CD2-CD1 4.36Å; L1846-L1866 HydrophobicContact CB-CB 4.48Å; L1846-L1866 HydrophobicContact CD2-CB 3.93Å; L1846-L1866 HydrophobicContact CD2-CD1 4.22Å; L1846-L1866 HydrophobicContact CG-CB 3.99Å; L1846-L1866 HydrophobicContact CG-CD1 4.19Å; L1846-L1866 PolarHBondContact O-N 3.21Å; L1846-R1867 HydrophobicContact CB-CB 4.07Å; L1846-R1867 HydrophobicContact CD2-CB 4.41Å; L1846-R1867 HydrophobicContact CD2-CG 4.34Å; L1846-R1867 PolarHBondContact N-O 2.93Å; L1846-R1867 PolarHBondContact O-N 3.07Å; L1846-F1885 HydrophobicContact CD2-CD2 3.98Å; L1846-F1885 HydrophobicContact CD2-CE2 3.86Å |
| 1847 | A | 64.9 | Low | 57.4 | Low | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 150.9 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1814 L1815 L1863 V1864 L1865 | L1814-A1847 WeakPolarHBondContact CA-O 3.35Å; L1815-A1847 PolarHBondContact N-O 3.15Å; L1815-A1847 PolarHBondContact O-N 3.39Å; A1847-L1863 HydrophobicContact CB-CD1 3.69Å; A1847-L1863 HydrophobicContact CB-CD2 4.36Å; A1847-L1863 HydrophobicContact CB-CG 3.84Å; A1847-V1864 CarbonylContact C-O 3.58Å; A1847-V1864 WeakPolarHBondContact CA-O 3.38Å; A1847-L1865 HydrophobicContact CB-CD2 4.18Å |
| 1848 | E | 67.8 | Low | 56.8 | Low | 67 Ų | 67 | 60.8 Ų | 60.8 | 31% | 0.313 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132.2 | 172.2 | -174.5 | 176 | -172.1 | 0 | 0 | 109.3 | L1814 V1850 V1864 L1866 | L1814-E1848 HydrophobicContact CD2-CB 4.39Å; E1848-V1850 HydrophobicContact CB-CG2 4.28Å; E1848-V1850 HydrophobicContact CG-CG2 3.84Å; E1848-V1850 PolarHBondContact O-N 3.06Å; E1848-V1864 PolarHBondContact N-O 2.7Å; E1848-V1864 PolarHBondContact O-N 3.48Å; E1848-L1866 HydrophobicContact CB-CD1 3.98Å; E1848-L1866 HydrophobicContact CB-CD2 4.49Å; E1848-L1866 HydrophobicContact CB-CG 4.13Å |
| 1849 | I | 64.2 | Low | 56.6 | Low | 34 Ų | 34 | 65.6 Ų | 65.6 | 17% | 0.174 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 113.7 | 174.8 | -54.1 | 171.8 | 0 | 0 | 0 | 108.2 | F1763 S1813 L1815 W1861 | F1763-I1849 HydrophobicContact CD1-CD1 4.17Å; F1763-I1849 HydrophobicContact CE1-CD1 3.53Å; F1763-I1849 HydrophobicContact CE1-CG1 4.05Å; F1763-I1849 HydrophobicContact CZ-CD1 4.1Å; F1763-I1849 HydrophobicContact CZ-CG1 4.09Å; S1813-I1849 PolarHBondContact O-N 3.3Å; S1813-I1849 VanDerWaalsContact O-N 3.16Å; L1815-I1849 HydrophobicContact CD1-CD1 4.03Å; L1815-I1849 HydrophobicContact CD1-CG1 4.08Å; L1815-I1849 HydrophobicContact CG-CD1 4.41Å; L1815-I1849 HydrophobicContact CG-CG1 4.49Å; I1849-W1861 HydrophobicContact CG2-CE3 3.63Å; I1849-W1861 HydrophobicContact CG2-CZ3 3.81Å |
| 1850 | V | 66.5 | Low | 56.8 | Low | 44 Ų | 44 | 68.6 Ų | 68.6 | 27% | 0.267 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.7 | -177.3 | -177 | 0 | 0 | 0 | 0 | 110.7 | E1848 M1862 V1864 | E1848-V1850 HydrophobicContact CB-CG2 4.28Å; E1848-V1850 HydrophobicContact CG-CG2 3.84Å; E1848-V1850 PolarHBondContact O-N 3.06Å; V1850-M1862 PolarHBondContact N-O 3.34Å; V1850-M1862 PolarHBondContact O-N 3.27Å; V1850-V1864 HydrophobicContact CB-CG2 3.71Å; V1850-V1864 HydrophobicContact CG1-CG2 4.4Å; V1850-V1864 HydrophobicContact CG2-CB 3.89Å; V1850-V1864 HydrophobicContact CG2-CG2 3.58Å |
| 1851 | K | 64.8 | Low | 56.8 | Low | 125 Ų | 125 | 72.5 Ų | 72.5 | 54% | 0.543 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.9 | 178.5 | 177.5 | -176.8 | 173 | -172.2 | 0 | 109.2 | W1861 | K1851-W1861 HydrophobicContact CB-CE3 4.07Å; K1851-W1861 HydrophobicContact CB-CZ3 4.22Å |
| 1852 | T | 56.5 | Low | 56.8 | Low | 40 Ų | 40 | 74.5 Ų | 74.5 | 25% | 0.245 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 125.1 | -175.6 | 40.6 | 0 | 0 | 0 | 0 | 113.6 | Q1854 E1860 M1862 | T1852-Q1854 PolarHBondContact O-N 2.72Å; T1852-E1860 PolarHBondContact N-O 3.35Å; T1852-E1860 PolarHBondContact OG1-O 3.31Å; T1852-M1862 HydrophobicContact CG2-CE 3.53Å |
| 1853 | D | 52.3 | Low | 56.8 | Low | 142 Ų | 142 | 73.8 Ų | 73.8 | 76% | 0.759 | 38% | 0.378 | S | S | * | . | trans | -93.4 | 44.6 | -176.6 | -60.4 | -45.4 | 0 | 0 | 0 | 113 | ||||
| 1854 | Q | 43 | Very low | 57 | Low | 163 Ų | 163 | 76.2 Ų | 76.2 | 76% | 0.762 | 39% | 0.392 | S | S | * | . | trans | -99.9 | 111.7 | -179.2 | -65.9 | -163.7 | 14.6 | 0 | 0 | 113 | T1852 | T1852-Q1854 PolarHBondContact O-N 2.72Š| ||
| 1855 | S | 38 | Very low | 56.8 | Low | 89 Ų | 89 | 76.7 Ų | 76.7 | 62% | 0.622 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 73.8 | 148.3 | 178.1 | 83 | 0 | 0 | 0 | 0 | 116.8 | S1857 | S1855-S1857 VanDerWaalsContact C-N 3.26Å; S1855-S1857 PolarHBondContact O-N 2.82Å; S1855-S1857 VanDerWaalsContact O-N 3.17Å |
| 1856 | E | 43.9 | Very low | 56.8 | Low | 212 Ų | 212 | 79.2 Ų | 79.2 | 99% | 0.991 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | 1.9 | -162.9 | -61 | -178.5 | 125 | 0 | 0 | 115.3 | ||
| 1857 | S | 42.4 | Very low | 56.8 | Low | 110 Ų | 110 | 80.9 Ų | 80.9 | 77% | 0.769 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -14.4 | -169.5 | 61.1 | 0 | 0 | 0 | 0 | 116.3 | S1855 | S1855-S1857 VanDerWaalsContact C-N 3.26Å; S1855-S1857 PolarHBondContact O-N 2.82Å; S1855-S1857 VanDerWaalsContact O-N 3.17Å |
| 1858 | S | 39.9 | Very low | 56.9 | Low | 54 Ų | 54 | 81 Ų | 81 | 38% | 0.378 | 42% | 0.415 | S | S | . | . | trans | -153.2 | 106 | -176.8 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | E1860 | S1858-E1860 PolarHBondContact O-N 3.11Š| ||
| 1859 | K | 50.4 | Low | 56.8 | Low | 157 Ų | 157 | 78.2 Ų | 78.2 | 68% | 0.683 | 40% | 0.402 | S | S | * | . | trans | -79.3 | 114.3 | 167.9 | -67.5 | 168.1 | -176.4 | 160.4 | 0 | 108 | W1781 | W1781-K1859 WeakPolarHBondContact CH2-O 3.49Å; W1781-K1859 WeakPolarHBondContact CZ3-O 3.46Å | ||
| 1860 | E | 54.8 | Low | 56.6 | Low | 105 Ų | 105 | 77 Ų | 77 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 147.4 | 178.5 | -65.4 | -175.7 | 167.7 | 0 | 0 | 111.4 | T1852 S1858 | T1852-E1860 PolarHBondContact N-O 3.35Å; T1852-E1860 PolarHBondContact OG1-O 3.31Å; S1858-E1860 PolarHBondContact O-N 3.11Å |
| 1861 | W | 60.1 | Low | 56.1 | Low | 90 Ų | 90 | 76.2 Ų | 76.2 | 34% | 0.341 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 136.8 | 171.2 | -68.4 | 88.2 | 0 | 0 | 0 | 109.1 | W1781 I1849 K1851 | W1781-W1861 AromaticContact CD2-CD1 3.48Å; W1781-W1861 VanDerWaalsContact CD2-CD1 3.48Å; W1781-W1861 AromaticContact CE2-CD1 3.6Å; W1781-W1861 AromaticContact CE2-NE1 3.72Å; W1781-W1861 AromaticContact CE3-CD1 3.79Å; W1781-W1861 AromaticContact CG-CD1 3.86Å; W1781-W1861 AromaticContact NE1-NE1 3.85Å; I1849-W1861 HydrophobicContact CG2-CE3 3.63Å; I1849-W1861 HydrophobicContact CG2-CZ3 3.81Å; K1851-W1861 HydrophobicContact CB-CE3 4.07Å; K1851-W1861 HydrophobicContact CB-CZ3 4.22Å |
| 1862 | M | 57.2 | Low | 55.6 | Low | 72 Ų | 72 | 71.5 Ų | 71.5 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.5 | 177.6 | -74.5 | -161.4 | -73.1 | 0 | 0 | 112.5 | V1850 T1852 | V1850-M1862 PolarHBondContact N-O 3.34Å; V1850-M1862 PolarHBondContact O-N 3.27Å; T1852-M1862 HydrophobicContact CG2-CE 3.53Å |
| 1863 | L | 62.6 | Low | 55.3 | Low | 9 Ų | 9 | 72.2 Ų | 72.2 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 84.9 | 179.4 | -174.1 | 81.7 | 0 | 0 | 0 | 109 | F1763 T1783 A1847 L1865 | F1763-L1863 HydrophobicContact CZ-CD1 4.27Å; T1783-L1863 HydrophobicContact CG2-CB 3.9Å; T1783-L1863 HydrophobicContact CG2-CD1 4.48Å; T1783-L1863 HydrophobicContact CG2-CD2 4.3Å; T1783-L1863 HydrophobicContact CG2-CG 4.46Å; A1847-L1863 HydrophobicContact CB-CD1 3.69Å; A1847-L1863 HydrophobicContact CB-CD2 4.36Å; A1847-L1863 HydrophobicContact CB-CG 3.84Å; L1863-L1865 HydrophobicContact CD2-CD2 4.43Å; L1863-L1865 PolarHBondContact O-N 3.23Å; L1863-L1865 VanDerWaalsContact O-N 3.13Å |
| 1864 | V | 64.8 | Low | 54.8 | Low | 53 Ų | 53 | 71.9 Ų | 71.9 | 32% | 0.321 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 111.5 | -175 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | A1847 E1848 V1850 L1866 | A1847-V1864 CarbonylContact C-O 3.58Å; A1847-V1864 WeakPolarHBondContact CA-O 3.38Å; E1848-V1864 PolarHBondContact N-O 2.7Å; E1848-V1864 PolarHBondContact O-N 3.48Å; V1850-V1864 HydrophobicContact CB-CG2 3.71Å; V1850-V1864 HydrophobicContact CG1-CG2 4.4Å; V1850-V1864 HydrophobicContact CG2-CB 3.89Å; V1850-V1864 HydrophobicContact CG2-CG2 3.58Å; V1864-L1866 HydrophobicContact CG1-CD2 4.28Å; V1864-L1866 PolarHBondContact O-N 2.85Å |
| 1865 | L | 64.7 | Low | 54.7 | Low | 35 Ų | 35 | 74.8 Ų | 74.8 | 18% | 0.183 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 102.7 | -178.6 | -68.4 | 166.8 | 0 | 0 | 0 | 110.9 | L1788 L1791 L1845 A1847 L1863 | L1788-L1865 HydrophobicContact CD2-CD1 4.01Å; L1788-L1865 HydrophobicContact CD2-CD2 4.45Å; L1791-L1865 HydrophobicContact CD1-CB 4.2Å; L1791-L1865 HydrophobicContact CD1-CD1 3.49Å; L1791-L1865 VanDerWaalsContact CD1-CD1 3.49Å; L1791-L1865 HydrophobicContact CD1-CG 4.48Å; L1845-L1865 HydrophobicContact CB-CD2 3.92Å; L1845-L1865 HydrophobicContact CD1-CD2 3.82Å; L1845-L1865 HydrophobicContact CD2-CD2 4.4Å; L1845-L1865 HydrophobicContact CG-CD2 4.25Å; A1847-L1865 HydrophobicContact CB-CD2 4.18Å; L1863-L1865 HydrophobicContact CD2-CD2 4.43Å; L1863-L1865 PolarHBondContact O-N 3.23Å; L1863-L1865 VanDerWaalsContact O-N 3.13Å |
| 1866 | L | 66.4 | Low | 54.6 | Low | 57 Ų | 57 | 72 Ų | 72 | 30% | 0.298 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -42.5 | -179.7 | -62.7 | 179.7 | 0 | 0 | 0 | 112.3 | L1814 L1846 E1848 V1864 | L1814-L1866 HydrophobicContact CD2-CD1 3.37Å; L1846-L1866 HydrophobicContact CB-CB 4.48Å; L1846-L1866 HydrophobicContact CD2-CB 3.93Å; L1846-L1866 HydrophobicContact CD2-CD1 4.22Å; L1846-L1866 HydrophobicContact CG-CB 3.99Å; L1846-L1866 HydrophobicContact CG-CD1 4.19Å; L1846-L1866 PolarHBondContact O-N 3.21Å; E1848-L1866 HydrophobicContact CB-CD1 3.98Å; E1848-L1866 HydrophobicContact CB-CD2 4.49Å; E1848-L1866 HydrophobicContact CB-CG 4.13Å; V1864-L1866 HydrophobicContact CG1-CD2 4.28Å; V1864-L1866 PolarHBondContact O-N 2.85Å |
| 1867 | R | 67.9 | Low | 54.2 | Low | 41 Ų | 41 | 66.3 Ų | 66.3 | 16% | 0.155 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 153.3 | 174.3 | -63.5 | -170.6 | -178.6 | -164.8 | -5.7 | 111.6 | L1845 L1846 Y1883 H1888 R1906 | L1845-R1867 WeakPolarHBondContact CA-O 3.39Å; L1846-R1867 HydrophobicContact CB-CB 4.07Å; L1846-R1867 HydrophobicContact CD2-CB 4.41Å; L1846-R1867 HydrophobicContact CD2-CG 4.34Å; L1846-R1867 PolarHBondContact N-O 2.93Å; L1846-R1867 PolarHBondContact O-N 3.07Å; R1867-Y1883 WeakPolarHBondContact CD-OH 3.31Å; R1867-Y1883 PolarHBondContact NH1-OH 2.87Å; R1867-H1888 PolarHBondContact NH1-ND1 2.77Å; R1867-H1888 PolarHBondContact NH2-CE1 2.87Å; R1867-H1888 PolarHBondContact NH2-NE2 3.24Å; R1867-R1906 CarbonylContact C-O 3.59Å; R1867-R1906 WeakPolarHBondContact CA-O 3.3Å |
| 1868 | S | 65.9 | Low | 54 | Low | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133 | 173 | 52.9 | 0 | 0 | 0 | 0 | 110.9 | R1906 H1907 V1908 | S1868-R1906 PolarHBondContact N-O 3.46Å; S1868-R1906 PolarHBondContact OG-O 3.13Å; S1868-R1906 VanDerWaalsContact OG-O 3.1Å; S1868-H1907 CarbonylContact O-C 3.41Å; S1868-H1907 WeakPolarHBondContact O-CA 3.4Å; S1868-H1907 WeakPolarHBondContact OG-CA 3.38Å; S1868-H1907 PolarHBondContact OG-ND1 3.29Å; S1868-V1908 PolarHBondContact O-N 2.89Å |
| 1869 | I | 67.5 | Low | 54.3 | Low | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125 | 174.3 | -51.2 | 179.9 | 0 | 0 | 0 | 107.4 | G1843 M1844 L1872 L1890 L1901 V1908 | G1843-I1869 CarbonylContact C-O 3.54Å; G1843-I1869 WeakPolarHBondContact CA-O 3.37Å; M1844-I1869 HydrophobicContact CE-CD1 4.14Å; M1844-I1869 PolarHBondContact N-O 3.29Å; M1844-I1869 PolarHBondContact O-N 3.49Å; I1869-L1872 HydrophobicContact CB-CD1 4.48Å; I1869-L1872 HydrophobicContact CG2-CD1 3.76Å; I1869-L1872 HydrophobicContact CG2-CD2 4.25Å; I1869-L1872 HydrophobicContact CG2-CG 4.08Å; I1869-L1890 HydrophobicContact CD1-CD1 4.44Å; I1869-L1890 HydrophobicContact CD1-CD2 4.4Å; I1869-L1901 HydrophobicContact CD1-CD1 4.08Å; I1869-V1908 CarbonylContact C-O 3.49Å; I1869-V1908 WeakPolarHBondContact CA-O 3.49Å; I1869-V1908 HydrophobicContact CG2-CB 4.38Å; I1869-V1908 HydrophobicContact CG2-CG1 4.4Å |
| 1870 | T | 59.9 | Low | 54 | Low | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.043 | 32% | 0.317 | C | S | . | . | trans | -140.9 | 145.9 | -170.3 | 65.4 | 0 | 0 | 0 | 0 | 111.9 | L1792 F1819 V1908 S1909 H1910 | L1792-T1870 HydrophobicContact CD2-CG2 3.47Å; L1792-T1870 VanDerWaalsContact CD2-CG2 3.47Å; F1819-T1870 HydrophobicContact CE2-CG2 4.42Å; F1819-T1870 HydrophobicContact CZ-CG2 3.66Å; T1870-V1908 PolarHBondContact N-O 3.39Å; T1870-V1908 PolarHBondContact OG1-O 2.85Å; T1870-S1909 CarbonylContact O-C 3.12Å; T1870-S1909 VanDerWaalsContact O-C 3.28Å; T1870-S1909 WeakPolarHBondContact O-CA 3.46Å; T1870-S1909 VanDerWaalsContact OG1-CA 3.32Å; T1870-S1909 WeakPolarHBondContact OG1-CA 3.37Å; T1870-H1910 PolarHBondContact O-N 3.05Å | ||
| 1871 | G | 54.3 | Low | 53.8 | Low | 28 Ų | 28 | 59.9 Ų | 59.9 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | trans | 72 | 35.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | H1910 | G1871-H1910 PolarHBondContact O-ND1 3.22Š| ||
| 1872 | L | 54.7 | Low | 53.4 | Low | 26 Ų | 26 | 58.6 Ų | 58.6 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | trans | -62.1 | 153 | 155.8 | -62.2 | 138 | 0 | 0 | 0 | 107.8 | I1869 E1874 L1881 L1890 | I1869-L1872 HydrophobicContact CB-CD1 4.48Å; I1869-L1872 HydrophobicContact CG2-CD1 3.76Å; I1869-L1872 HydrophobicContact CG2-CD2 4.25Å; I1869-L1872 HydrophobicContact CG2-CG 4.08Å; L1872-E1874 PolarHBondContact O-N 3.46Å; L1872-L1881 HydrophobicContact CB-CD1 4.35Å; L1872-L1881 HydrophobicContact CD1-CD1 3.56Å; L1872-L1881 HydrophobicContact CD2-CD1 3.89Å; L1872-L1881 HydrophobicContact CD2-CD2 3.91Å; L1872-L1881 HydrophobicContact CG-CD1 4.12Å; L1872-L1890 HydrophobicContact CD2-CD2 4.33Å | ||
| 1873 | S | 51 | Low | 53.3 | Low | 55 Ų | 55 | 57.1 Ų | 57.1 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | trans | -53.3 | 130.8 | -156.5 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | W1875 S1876 | S1873-W1875 PolarHBondContact O-N 2.68Å; S1873-S1876 PolarHBondContact O-N 2.78Å | ||
| 1874 | E | 41.6 | Very low | 53 | Low | 135 Ų | 135 | 58.2 Ų | 58.2 | 63% | 0.631 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -6.7 | -179.8 | -60.2 | 166.1 | 164 | 0 | 0 | 114.1 | P1841 L1872 | P1841-E1874 HydrophobicContact CB-CG 4.29Å; L1872-E1874 PolarHBondContact O-N 3.46Å |
| 1875 | W | 39.8 | Very low | 52.4 | Low | 225 Ų | 225 | 60.1 Ų | 60.1 | 85% | 0.852 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.6 | 27 | -171.2 | -58.3 | 80.8 | 0 | 0 | 0 | 112.4 | S1873 P1877 | S1873-W1875 PolarHBondContact O-N 2.68Å; W1875-P1877 WeakPolarHBondContact O-CD 3.46Å |
| 1876 | S | 37.8 | Very low | 51.9 | Low | 30 Ų | 30 | 63.4 Ų | 63.4 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | trans | -75.2 | 121 | -179.3 | 177 | 0 | 0 | 0 | 0 | 112.9 | S1873 C1878 T1894 | S1873-S1876 PolarHBondContact O-N 2.78Å; S1876-C1878 VanDerWaalsContact C-N 3.34Å; S1876-C1878 PolarHBondContact OG-N 3.36Å; S1876-T1894 VanDerWaalsContact OG-CG2 3.25Å; S1876-T1894 WeakPolarHBondContact OG-CG2 3.45Å | ||
| 1877 | P | 35.5 | Very low | 51.2 | Low | 92 Ų | 92 | 64.4 Ų | 64.4 | 60% | 0.597 | 33% | 0.332 | S | S | * | . | trans | -91.2 | 9.5 | 174.5 | 38.3 | -35.8 | 0 | 0 | 0 | 113.2 | M1838 W1875 | M1838-P1877 WeakPolarHBondContact CE-O 3.28Å; W1875-P1877 WeakPolarHBondContact O-CD 3.46Å | ||
| 1878 | C | 36.7 | Very low | 50.8 | Low | 50 Ų | 50 | 64.7 Ų | 64.7 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | trans | -115.1 | 147.7 | -171.3 | -72.1 | 0 | 0 | 0 | 0 | 113.2 | S1876 T1894 | S1876-C1878 VanDerWaalsContact C-N 3.34Å; S1876-C1878 PolarHBondContact OG-N 3.36Å; C1878-T1894 HydrophobicContact CB-CG2 3.92Å | ||
| 1879 | Q | 46.3 | Very low | 50.6 | Low | 139 Ų | 139 | 66.8 Ų | 66.8 | 65% | 0.65 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -81.5 | -21.5 | -166.7 | -68 | 177.7 | -33.5 | 0 | 0 | 114.6 | ||
| 1880 | T | 45.6 | Very low | 50.3 | Low | 43 Ų | 43 | 66.5 Ų | 66.5 | 26% | 0.264 | 34% | 0.343 | S | S | . | . | trans | -133.3 | 125.2 | -160.9 | 47.9 | 0 | 0 | 0 | 0 | 114.5 | Y1882 S1893 | T1880-Y1882 VanDerWaalsContact CB-CE2 3.48Å; T1880-Y1882 HydrophobicContact CG2-CE2 4.42Å; T1880-Y1882 VanDerWaalsContact OG1-CE2 3.3Å; T1880-Y1882 WeakPolarHBondContact OG1-CE2 3.39Å; T1880-Y1882 PolarHBondContact OG1-OH 3.49Å; T1880-S1893 WeakPolarHBondContact O-CB 3.49Å; T1880-S1893 PolarHBondContact O-OG 3.35Å | ||
| 1881 | L | 48.8 | Very low | 50.2 | Low | 60 Ų | 60 | 67.9 Ų | 67.9 | 31% | 0.314 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.5 | 162.2 | -74.3 | 160.2 | 0 | 0 | 0 | 108.2 | L1872 L1890 D1892 | L1872-L1881 HydrophobicContact CB-CD1 4.35Å; L1872-L1881 HydrophobicContact CD1-CD1 3.56Å; L1872-L1881 HydrophobicContact CD2-CD1 3.89Å; L1872-L1881 HydrophobicContact CD2-CD2 3.91Å; L1872-L1881 HydrophobicContact CG-CD1 4.12Å; L1881-L1890 HydrophobicContact CB-CD1 4.48Å; L1881-L1890 HydrophobicContact CD2-CD1 4.48Å; L1881-D1892 HydrophobicContact CD2-CB 4.23Å |
| 1882 | Y | 53.1 | Low | 50.3 | Low | 62 Ų | 62 | 67.3 Ų | 67.3 | 24% | 0.243 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 106.7 | -173.7 | -69.3 | -85.9 | 0 | 0 | 0 | 110.4 | T1880 L1890 Y1891 F1935 | T1880-Y1882 VanDerWaalsContact CB-CE2 3.48Å; T1880-Y1882 HydrophobicContact CG2-CE2 4.42Å; T1880-Y1882 VanDerWaalsContact OG1-CE2 3.3Å; T1880-Y1882 WeakPolarHBondContact OG1-CE2 3.39Å; T1880-Y1882 PolarHBondContact OG1-OH 3.49Å; Y1882-L1890 CarbonylContact O-C 2.88Å; Y1882-L1890 WeakPolarHBondContact O-CA 3.44Å; Y1882-Y1891 AromaticContact CD2-CD1 3.63Å; Y1882-Y1891 HydrophobicContact CD2-CD1 3.63Å; Y1882-Y1891 HydrophobicContact CD2-CE1 4.1Å; Y1882-Y1891 HydrophobicContact CE2-CD1 4.45Å; Y1882-Y1891 HydrophobicContact CG-CD1 4.17Å; Y1882-Y1891 PolarHBondContact N-O 2.76Å; Y1882-Y1891 PolarHBondContact O-N 3.28Å; Y1882-F1935 HydrophobicContact CE2-CD1 4.21Å; Y1882-F1935 AromaticContact CE2-CE1 3.84Å; Y1882-F1935 HydrophobicContact CE2-CE1 3.84Å; Y1882-F1935 HydrophobicContact CE2-CE2 4.41Å; Y1882-F1935 AromaticContact CE2-CZ 3.94Å; Y1882-F1935 HydrophobicContact CE2-CZ 3.94Å; Y1882-F1935 AromaticContact CZ-CD1 3.86Å; Y1882-F1935 AromaticContact CZ-CE1 3.74Å; Y1882-F1935 WeakPolarHBondContact OH-CD1 3.34Å; Y1882-F1935 WeakPolarHBondContact OH-CE1 3.3Å |
| 1883 | Y | 53.9 | Low | 50.1 | Low | 41 Ų | 41 | 67.2 Ų | 67.2 | 16% | 0.161 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 110.8 | 179.1 | 178.3 | -111.2 | 0 | 0 | 0 | 112 | M1844 R1867 F1885 E1889 L1890 L1901 | M1844-Y1883 HydrophobicContact CE-CD1 3.76Å; M1844-Y1883 HydrophobicContact CE-CG 3.81Å; R1867-Y1883 WeakPolarHBondContact CD-OH 3.31Å; R1867-Y1883 PolarHBondContact NH1-OH 2.87Å; Y1883-F1885 HydrophobicContact CE1-CB 4.17Å; Y1883-F1885 HydrophobicContact CE1-CD2 4.35Å; Y1883-F1885 PolarHBondContact O-N 2.87Å; Y1883-E1889 CarbonylContact C-O 3.53Å; Y1883-E1889 WeakPolarHBondContact CA-O 3.47Å; Y1883-L1890 HydrophobicContact CD2-CB 4.4Å; Y1883-L1901 HydrophobicContact CE2-CD1 4.22Å |
| 1884 | S | 56.6 | Low | 49.8 | Very low | 33 Ų | 33 | 67.1 Ų | 67.1 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 93.1 | 172.4 | -170.7 | 0 | 0 | 0 | 0 | 110.2 | K1887 H1888 E1889 | S1884-K1887 PolarHBondContact O-N 3.41Å; S1884-H1888 WeakPolarHBondContact O-CA 3.35Å; S1884-H1888 PolarHBondContact O-N 2.98Å; S1884-E1889 PolarHBondContact N-O 3.07Å; S1884-E1889 PolarHBondContact O-N 2.98Å |
| 1885 | F | 53 | Low | 50.1 | Low | 93 Ų | 93 | 63.7 Ų | 63.7 | 41% | 0.408 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | -52.1 | 173.8 | 177.3 | -98.1 | 0 | 0 | 0 | 113.9 | L1846 Y1883 K1887 H1888 | L1846-F1885 HydrophobicContact CD2-CD2 3.98Å; L1846-F1885 HydrophobicContact CD2-CE2 3.86Å; Y1883-F1885 HydrophobicContact CE1-CB 4.17Å; Y1883-F1885 HydrophobicContact CE1-CD2 4.35Å; Y1883-F1885 PolarHBondContact O-N 2.87Å; F1885-K1887 PolarHBondContact O-N 2.83Å; F1885-H1888 PolarHBondContact O-ND1 2.99Å |
| 1886 | P | 52.9 | Low | 50.6 | Low | 103 Ų | 103 | 54.1 Ų | 54.1 | 67% | 0.669 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -20.6 | -175.9 | 29.2 | -36.4 | 0 | 0 | 0 | 114.8 | ||
| 1887 | K | 52.7 | Low | 51.1 | Low | 79 Ų | 79 | 54.6 Ų | 54.6 | 34% | 0.343 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -10.1 | -179.5 | -59.3 | 178.5 | -174.7 | 171.2 | 0 | 113.8 | S1884 F1885 E1889 D1942 | S1884-K1887 PolarHBondContact O-N 3.41Å; F1885-K1887 PolarHBondContact O-N 2.83Å; K1887-E1889 HydrophobicContact CB-CB 4.43Å; K1887-E1889 VanDerWaalsContact CB-CD 3.45Å; K1887-E1889 HydrophobicContact CB-CG 3.72Å; K1887-E1889 WeakPolarHBondContact CD-OE1 3.41Å; K1887-E1889 VanDerWaalsContact CD-OE2 3.24Å; K1887-E1889 WeakPolarHBondContact CD-OE2 3.2Å; K1887-E1889 PolarHBondContact O-N 2.86Å; K1887-D1942 PolarHBondContact NZ-O 3.46Å |
| 1888 | H | 60.2 | Low | 52.1 | Low | 47 Ų | 47 | 53.3 Ų | 53.3 | 22% | 0.218 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 23.3 | -170.6 | -58.4 | -2 | 0 | 0 | 0 | 114 | R1867 S1884 F1885 L1901 | R1867-H1888 PolarHBondContact NH1-ND1 2.77Å; R1867-H1888 PolarHBondContact NH2-CE1 2.87Å; R1867-H1888 PolarHBondContact NH2-NE2 3.24Å; S1884-H1888 WeakPolarHBondContact O-CA 3.35Å; S1884-H1888 PolarHBondContact O-N 2.98Å; F1885-H1888 PolarHBondContact O-ND1 2.99Å; H1888-L1901 WeakPolarHBondContact CB-O 3.5Å; H1888-L1901 PolarHBondContact O-N 3Å |
| 1889 | E | 61.1 | Low | 53.2 | Low | 46 Ų | 46 | 51.5 Ų | 51.5 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 130.2 | 176 | -62.2 | 160.6 | 172.6 | 0 | 0 | 109.8 | Y1883 S1884 K1887 Y1898 I1900 | Y1883-E1889 CarbonylContact C-O 3.53Å; Y1883-E1889 WeakPolarHBondContact CA-O 3.47Å; S1884-E1889 PolarHBondContact N-O 3.07Å; S1884-E1889 PolarHBondContact O-N 2.98Å; K1887-E1889 HydrophobicContact CB-CB 4.43Å; K1887-E1889 VanDerWaalsContact CB-CD 3.45Å; K1887-E1889 HydrophobicContact CB-CG 3.72Å; K1887-E1889 WeakPolarHBondContact CD-OE1 3.41Å; K1887-E1889 VanDerWaalsContact CD-OE2 3.24Å; K1887-E1889 WeakPolarHBondContact CD-OE2 3.2Å; K1887-E1889 PolarHBondContact O-N 2.86Å; E1889-Y1898 HydrophobicContact CB-CD1 4.22Å; E1889-I1900 HydrophobicContact CG-CG1 4.36Å |
| 1890 | L | 60.5 | Low | 54 | Low | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 107.9 | 166.4 | 172.2 | 73.7 | 0 | 0 | 0 | 107.8 | I1869 L1872 L1881 Y1882 Y1883 Y1899 | I1869-L1890 HydrophobicContact CD1-CD1 4.44Å; I1869-L1890 HydrophobicContact CD1-CD2 4.4Å; L1872-L1890 HydrophobicContact CD2-CD2 4.33Å; L1881-L1890 HydrophobicContact CB-CD1 4.48Å; L1881-L1890 HydrophobicContact CD2-CD1 4.48Å; Y1882-L1890 CarbonylContact O-C 2.88Å; Y1882-L1890 WeakPolarHBondContact O-CA 3.44Å; Y1883-L1890 HydrophobicContact CD2-CB 4.4Å; L1890-Y1899 HydrophobicContact CD2-CD2 4.2Å; L1890-Y1899 HydrophobicContact CG-CD2 4.37Å; L1890-Y1899 PolarHBondContact N-O 3.12Å; L1890-Y1899 WeakPolarHBondContact O-CB 3.48Å; L1890-Y1899 WeakPolarHBondContact O-CD2 3.32Å; L1890-Y1899 PolarHBondContact O-N 3.22Å |
| 1891 | Y | 58 | Low | 54.8 | Low | 36 Ų | 36 | 46.5 Ų | 46.5 | 14% | 0.141 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 122.2 | 170.2 | 169.3 | -110.9 | 0 | 0 | 0 | 110.5 | Y1882 Y1898 F1935 | Y1882-Y1891 AromaticContact CD2-CD1 3.63Å; Y1882-Y1891 HydrophobicContact CD2-CD1 3.63Å; Y1882-Y1891 HydrophobicContact CD2-CE1 4.1Å; Y1882-Y1891 HydrophobicContact CE2-CD1 4.45Å; Y1882-Y1891 HydrophobicContact CG-CD1 4.17Å; Y1882-Y1891 PolarHBondContact N-O 2.76Å; Y1882-Y1891 PolarHBondContact O-N 3.28Å; Y1891-Y1898 AromaticContact CD2-CD2 3.43Å; Y1891-Y1898 HydrophobicContact CD2-CD2 3.43Å; Y1891-Y1898 VanDerWaalsContact CD2-CD2 3.43Å; Y1891-Y1898 AromaticContact CD2-CE2 3.29Å; Y1891-Y1898 HydrophobicContact CD2-CE2 3.29Å; Y1891-Y1898 HydrophobicContact CD2-CG 4.19Å; Y1891-Y1898 AromaticContact CD2-CZ 3.97Å; Y1891-Y1898 HydrophobicContact CE2-CD2 4.17Å; Y1891-Y1898 AromaticContact CE2-CE2 3.92Å; Y1891-Y1898 HydrophobicContact CE2-CE2 3.92Å; Y1891-Y1898 HydrophobicContact CG-CD2 4.08Å; Y1891-Y1898 HydrophobicContact CG-CE1 4.4Å; Y1891-Y1898 AromaticContact CG-CE2 3.65Å; Y1891-Y1898 HydrophobicContact CG-CE2 3.65Å; Y1891-Y1898 AromaticContact CG-CZ 3.82Å; Y1891-F1935 HydrophobicContact CE1-CZ 4.09Å |
| 1892 | D | 56.3 | Low | 55.4 | Low | 15 Ų | 15 | 45.4 Ų | 45.4 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 113.8 | 176.8 | 169.1 | 19 | 0 | 0 | 0 | 110.3 | L1881 T1894 T1895 G1896 Q1897 Y1899 | L1881-D1892 HydrophobicContact CD2-CB 4.23Å; D1892-T1894 VanDerWaalsContact CG-OG1 3.28Å; D1892-T1894 PolarHBondContact O-N 3.28Å; D1892-T1894 WeakPolarHBondContact OD1-CB 3.39Å; D1892-T1894 PolarHBondContact OD1-N 3.01Å; D1892-T1894 PolarHBondContact OD1-OG1 2.89Å; D1892-T1894 PolarHBondContact OD2-OG1 3.26Å; D1892-T1894 VanDerWaalsContact OD2-OG1 3.13Å; D1892-T1895 WeakPolarHBondContact CB-OG1 3.32Å; D1892-T1895 PolarHBondContact O-N 3.15Å; D1892-T1895 WeakPolarHBondContact OD2-CB 3.48Å; D1892-T1895 VanDerWaalsContact OD2-CG2 3.22Å; D1892-T1895 WeakPolarHBondContact OD2-CG2 3.47Å; D1892-T1895 PolarHBondContact OD2-N 3.47Å; D1892-T1895 PolarHBondContact OD2-OG1 2.79Å; D1892-G1896 WeakPolarHBondContact O-CA 3.45Å; D1892-G1896 PolarHBondContact O-N 2.82Å; D1892-Q1897 PolarHBondContact N-O 3.43Å; D1892-Y1899 HydrophobicContact CB-CD2 4.13Å; D1892-Y1899 HydrophobicContact CB-CE2 3.56Å |
| 1893 | S | 50.1 | Low | 55.7 | Low | 25 Ų | 25 | 47.9 Ų | 47.9 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -14.2 | 180 | 61.1 | 0 | 0 | 0 | 0 | 114.1 | T1880 | T1880-S1893 WeakPolarHBondContact O-CB 3.49Å; T1880-S1893 PolarHBondContact O-OG 3.35Å |
| 1894 | T | 45.1 | Very low | 55.9 | Low | 52 Ų | 52 | 48.8 Ų | 48.8 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -36.6 | 178.2 | 67.2 | 0 | 0 | 0 | 0 | 113.4 | S1876 C1878 D1892 | S1876-T1894 VanDerWaalsContact OG-CG2 3.25Å; S1876-T1894 WeakPolarHBondContact OG-CG2 3.45Å; C1878-T1894 HydrophobicContact CB-CG2 3.92Å; D1892-T1894 VanDerWaalsContact CG-OG1 3.28Å; D1892-T1894 PolarHBondContact O-N 3.28Å; D1892-T1894 WeakPolarHBondContact OD1-CB 3.39Å; D1892-T1894 PolarHBondContact OD1-N 3.01Å; D1892-T1894 PolarHBondContact OD1-OG1 2.89Å; D1892-T1894 PolarHBondContact OD2-OG1 3.26Å; D1892-T1894 VanDerWaalsContact OD2-OG1 3.13Å |
| 1895 | T | 49.2 | Very low | 56.1 | Low | 63 Ų | 63 | 48.3 Ų | 48.3 | 39% | 0.387 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -14.9 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | D1892 Q1897 Y1899 | D1892-T1895 WeakPolarHBondContact CB-OG1 3.32Å; D1892-T1895 PolarHBondContact O-N 3.15Å; D1892-T1895 WeakPolarHBondContact OD2-CB 3.48Å; D1892-T1895 VanDerWaalsContact OD2-CG2 3.22Å; D1892-T1895 WeakPolarHBondContact OD2-CG2 3.47Å; D1892-T1895 PolarHBondContact OD2-N 3.47Å; D1892-T1895 PolarHBondContact OD2-OG1 2.79Å; T1895-Q1897 PolarHBondContact O-N 3.19Å; T1895-Q1897 WeakPolarHBondContact OG1-CB 3.42Å; T1895-Q1897 PolarHBondContact OG1-N 2.78Å; T1895-Y1899 PolarHBondContact OG1-OH 2.8Å; T1895-Y1899 VanDerWaalsContact OG1-OH 3.13Å |
| 1896 | G | 50.1 | Low | 56.6 | Low | 24 Ų | 24 | 53.2 Ų | 53.2 | 25% | 0.247 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 14 | -172 | 0 | 0 | 0 | 0 | 0 | 113.2 | D1892 | D1892-G1896 WeakPolarHBondContact O-CA 3.45Å; D1892-G1896 PolarHBondContact O-N 2.82Å |
| 1897 | Q | 47.8 | Very low | 57.2 | Low | 41 Ų | 41 | 51 Ų | 51 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.3 | -172 | -68.6 | 174.8 | 37.7 | 0 | 0 | 111.2 | D1892 T1895 Y1899 V1922 T1924 | D1892-Q1897 PolarHBondContact N-O 3.43Å; T1895-Q1897 PolarHBondContact O-N 3.19Å; T1895-Q1897 WeakPolarHBondContact OG1-CB 3.42Å; T1895-Q1897 PolarHBondContact OG1-N 2.78Å; Q1897-Y1899 HydrophobicContact CB-CD1 4.1Å; Q1897-Y1899 HydrophobicContact CB-CE1 3.49Å; Q1897-Y1899 VanDerWaalsContact CB-CE1 3.49Å; Q1897-Y1899 HydrophobicContact CB-CE2 4.15Å; Q1897-Y1899 HydrophobicContact CG-CE1 4.33Å; Q1897-Y1899 VanDerWaalsContact OE1-CE1 3.23Å; Q1897-Y1899 PolarHBondContact OE1-OH 2.88Å; Q1897-V1922 HydrophobicContact CB-CG1 3.7Å; Q1897-V1922 HydrophobicContact CG-CG1 3.87Å; Q1897-T1924 HydrophobicContact CG-CG2 4.22Å |
| 1898 | Y | 56.5 | Low | 57.7 | Low | 64 Ų | 64 | 47.4 Ų | 47.4 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 123.8 | 165.2 | -90.7 | -98.9 | 0 | 0 | 0 | 109.1 | E1889 Y1891 V1922 | E1889-Y1898 HydrophobicContact CB-CD1 4.22Å; Y1891-Y1898 AromaticContact CD2-CD2 3.43Å; Y1891-Y1898 HydrophobicContact CD2-CD2 3.43Å; Y1891-Y1898 VanDerWaalsContact CD2-CD2 3.43Å; Y1891-Y1898 AromaticContact CD2-CE2 3.29Å; Y1891-Y1898 HydrophobicContact CD2-CE2 3.29Å; Y1891-Y1898 HydrophobicContact CD2-CG 4.19Å; Y1891-Y1898 AromaticContact CD2-CZ 3.97Å; Y1891-Y1898 HydrophobicContact CE2-CD2 4.17Å; Y1891-Y1898 AromaticContact CE2-CE2 3.92Å; Y1891-Y1898 HydrophobicContact CE2-CE2 3.92Å; Y1891-Y1898 HydrophobicContact CG-CD2 4.08Å; Y1891-Y1898 HydrophobicContact CG-CE1 4.4Å; Y1891-Y1898 AromaticContact CG-CE2 3.65Å; Y1891-Y1898 HydrophobicContact CG-CE2 3.65Å; Y1891-Y1898 AromaticContact CG-CZ 3.82Å; Y1898-V1922 WeakPolarHBondContact O-CA 3.39Å; Y1898-V1922 WeakPolarHBondContact O-CG1 3.41Å |
| 1899 | Y | 59.1 | Low | 57.9 | Low | 12 Ų | 12 | 46.5 Ų | 46.5 | 5% | 0.047 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 107.3 | -176.9 | -58 | -54.6 | 0 | 0 | 0 | 110.9 | L1890 D1892 T1895 Q1897 L1901 F1913 T1921 V1922 I2088 | L1890-Y1899 HydrophobicContact CD2-CD2 4.2Å; L1890-Y1899 HydrophobicContact CG-CD2 4.37Å; L1890-Y1899 PolarHBondContact N-O 3.12Å; L1890-Y1899 WeakPolarHBondContact O-CB 3.48Å; L1890-Y1899 WeakPolarHBondContact O-CD2 3.32Å; L1890-Y1899 PolarHBondContact O-N 3.22Å; D1892-Y1899 HydrophobicContact CB-CD2 4.13Å; D1892-Y1899 HydrophobicContact CB-CE2 3.56Å; T1895-Y1899 PolarHBondContact OG1-OH 2.8Å; T1895-Y1899 VanDerWaalsContact OG1-OH 3.13Å; Q1897-Y1899 HydrophobicContact CB-CD1 4.1Å; Q1897-Y1899 HydrophobicContact CB-CE1 3.49Å; Q1897-Y1899 VanDerWaalsContact CB-CE1 3.49Å; Q1897-Y1899 HydrophobicContact CB-CE2 4.15Å; Q1897-Y1899 HydrophobicContact CG-CE1 4.33Å; Q1897-Y1899 VanDerWaalsContact OE1-CE1 3.23Å; Q1897-Y1899 PolarHBondContact OE1-OH 2.88Å; Y1899-L1901 PolarHBondContact O-N 2.89Å; Y1899-F1913 HydrophobicContact CD1-CZ 4.01Å; Y1899-F1913 HydrophobicContact CD2-CE2 4.25Å; Y1899-F1913 AromaticContact CD2-CZ 3.75Å; Y1899-F1913 HydrophobicContact CD2-CZ 3.75Å; Y1899-F1913 HydrophobicContact CE1-CE1 4.32Å; Y1899-F1913 AromaticContact CE1-CZ 3.86Å; Y1899-F1913 HydrophobicContact CE1-CZ 3.86Å; Y1899-F1913 HydrophobicContact CE2-CE1 4.46Å; Y1899-F1913 HydrophobicContact CE2-CE2 4.46Å; Y1899-F1913 AromaticContact CE2-CZ 3.63Å; Y1899-F1913 HydrophobicContact CE2-CZ 3.63Å; Y1899-F1913 HydrophobicContact CG-CE2 4.43Å; Y1899-F1913 AromaticContact CG-CZ 3.92Å; Y1899-F1913 HydrophobicContact CG-CZ 3.92Å; Y1899-F1913 AromaticContact CZ-CZ 3.66Å; Y1899-T1921 WeakPolarHBondContact CA-O 3.25Å; Y1899-V1922 HydrophobicContact CD1-CG1 4.01Å; Y1899-V1922 HydrophobicContact CE1-CG1 4.02Å; Y1899-I2088 HydrophobicContact CD1-CD1 3.55Å; Y1899-I2088 HydrophobicContact CD1-CG1 4.25Å; Y1899-I2088 HydrophobicContact CE1-CD1 3.69Å |
| 1900 | I | 63.1 | Low | 57.9 | Low | 71 Ų | 71 | 47.9 Ų | 47.9 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 115.4 | 175.9 | -56.4 | -179.7 | 0 | 0 | 0 | 109.1 | E1889 F1920 T1921 | E1889-I1900 HydrophobicContact CG-CG1 4.36Å; I1900-F1920 CarbonylContact O-C 3.54Å; I1900-F1920 WeakPolarHBondContact O-CA 3.42Å; I1900-T1921 HydrophobicContact CD1-CG2 4.14Å; I1900-T1921 PolarHBondContact N-O 3.42Å |
| 1901 | L | 62.6 | Low | 57.8 | Low | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -87 | 138.5 | 179.7 | -65.3 | 177.5 | 0 | 0 | 0 | 111.5 | I1869 Y1883 H1888 Y1899 V1908 F1920 | I1869-L1901 HydrophobicContact CD1-CD1 4.08Å; Y1883-L1901 HydrophobicContact CE2-CD1 4.22Å; H1888-L1901 WeakPolarHBondContact CB-O 3.5Å; H1888-L1901 PolarHBondContact O-N 3Å; Y1899-L1901 PolarHBondContact O-N 2.89Å; L1901-V1908 HydrophobicContact CD2-CG2 4.22Å; L1901-F1920 HydrophobicContact CD2-CD1 4.3Å; L1901-F1920 HydrophobicContact CD2-CD2 4.47Å; L1901-F1920 HydrophobicContact CD2-CE1 3.95Å; L1901-F1920 HydrophobicContact CD2-CE2 4.17Å; L1901-F1920 HydrophobicContact CD2-CZ 3.87Å |
| 1902 | P | 62 | Low | 58.1 | Low | 37 Ų | 37 | 56.2 Ų | 56.2 | 24% | 0.24 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 142 | -178.1 | -22.8 | 33.4 | 0 | 0 | 0 | 112.8 | G1904 T1905 F1920 | P1902-G1904 PolarHBondContact O-N 3.43Å; P1902-T1905 PolarHBondContact O-N 2.86Å; P1902-T1905 PolarHBondContact O-OG1 3.4Å; P1902-F1920 HydrophobicContact CG-CD1 4.05Å; P1902-F1920 HydrophobicContact CG-CE1 4.27Å |
| 1903 | P | 58.7 | Low | 58.4 | Low | 115 Ų | 115 | 57.3 Ų | 57.3 | 75% | 0.747 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 121.6 | 174.8 | 26.6 | -33.6 | 0 | 0 | 0 | 110.3 | ||
| 1904 | G | 58.4 | Low | 59 | Low | 60 Ų | 60 | 63 Ų | 63 | 62% | 0.619 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 105.5 | -10.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1902 R1906 | P1902-G1904 PolarHBondContact O-N 3.43Å; G1904-R1906 PolarHBondContact O-N 2.74Å |
| 1905 | T | 61.4 | Low | 59.9 | Low | 22 Ų | 22 | 68.2 Ų | 68.2 | 14% | 0.135 | 35% | 0.347 | C | S | . | . | trans | -69.3 | 103.6 | 178.1 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | P1902 H1907 V1908 Y1912 | P1902-T1905 PolarHBondContact O-N 2.86Å; P1902-T1905 PolarHBondContact O-OG1 3.4Å; T1905-H1907 WeakPolarHBondContact CG2-O 3.49Å; T1905-V1908 HydrophobicContact CG2-CG2 3.64Å; T1905-Y1912 HydrophobicContact CG2-CE1 3.8Å | ||
| 1906 | R | 63.1 | Low | 60.6 | Low | 196 Ų | 196 | 67.2 Ų | 67.2 | 74% | 0.74 | 34% | 0.337 | S | S | * | . | trans | -79 | -24.3 | 179.3 | -65.8 | -174.5 | -179.7 | -170.3 | -2.1 | 114.1 | R1867 S1868 G1904 | R1867-R1906 CarbonylContact C-O 3.59Å; R1867-R1906 WeakPolarHBondContact CA-O 3.3Å; S1868-R1906 PolarHBondContact N-O 3.46Å; S1868-R1906 PolarHBondContact OG-O 3.13Å; S1868-R1906 VanDerWaalsContact OG-O 3.1Å; G1904-R1906 PolarHBondContact O-N 2.74Å | ||
| 1907 | H | 65.1 | Low | 60.7 | Low | 57 Ų | 57 | 69.9 Ų | 69.9 | 26% | 0.264 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 131.5 | -177.3 | -176.7 | 82.4 | 0 | 0 | 0 | 110.9 | L1791 S1868 T1905 | L1791-H1907 PolarHBondContact O-CE1 3.23Å; S1868-H1907 CarbonylContact O-C 3.41Å; S1868-H1907 WeakPolarHBondContact O-CA 3.4Å; S1868-H1907 WeakPolarHBondContact OG-CA 3.38Å; S1868-H1907 PolarHBondContact OG-ND1 3.29Å; T1905-H1907 WeakPolarHBondContact CG2-O 3.49Å |
| 1908 | V | 64.2 | Low | 61 | Low | 4 Ų | 4 | 70.8 Ų | 70.8 | 2% | 0.024 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 105.4 | 175.2 | 178.1 | 0 | 0 | 0 | 0 | 107.4 | S1868 I1869 T1870 L1901 T1905 Y1912 F1913 F1920 | S1868-V1908 PolarHBondContact O-N 2.89Å; I1869-V1908 CarbonylContact C-O 3.49Å; I1869-V1908 WeakPolarHBondContact CA-O 3.49Å; I1869-V1908 HydrophobicContact CG2-CB 4.38Å; I1869-V1908 HydrophobicContact CG2-CG1 4.4Å; T1870-V1908 PolarHBondContact N-O 3.39Å; T1870-V1908 PolarHBondContact OG1-O 2.85Å; L1901-V1908 HydrophobicContact CD2-CG2 4.22Å; T1905-V1908 HydrophobicContact CG2-CG2 3.64Å; V1908-Y1912 HydrophobicContact CB-CD1 4.42Å; V1908-Y1912 HydrophobicContact CG1-CD1 4.18Å; V1908-Y1912 HydrophobicContact CG2-CD1 4.32Å; V1908-Y1912 HydrophobicContact CG2-CE1 4.36Å; V1908-F1913 HydrophobicContact CG1-CB 4.38Å; V1908-F1913 HydrophobicContact CG1-CD2 3.87Å; V1908-F1920 HydrophobicContact CG1-CZ 4.23Å |
| 1909 | S | 63.4 | Low | 60.9 | Low | 28 Ų | 28 | 73 Ų | 73 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | trans | -92.5 | 167.3 | 170.3 | 67.9 | 0 | 0 | 0 | 0 | 112.2 | T1870 E1911 Y1912 F1913 | T1870-S1909 CarbonylContact O-C 3.12Å; T1870-S1909 VanDerWaalsContact O-C 3.28Å; T1870-S1909 WeakPolarHBondContact O-CA 3.46Å; T1870-S1909 VanDerWaalsContact OG1-CA 3.32Å; T1870-S1909 WeakPolarHBondContact OG1-CA 3.37Å; S1909-E1911 PolarHBondContact O-N 3.1Å; S1909-Y1912 CarbonylContact O-C 3.25Å; S1909-Y1912 PolarHBondContact O-N 3.25Å; S1909-Y1912 VanDerWaalsContact O-N 3.13Å; S1909-Y1912 WeakPolarHBondContact OG-CB 3.4Å; S1909-Y1912 PolarHBondContact OG-N 2.99Å; S1909-F1913 VanDerWaalsContact O-CB 3.3Å; S1909-F1913 WeakPolarHBondContact O-CB 3.49Å; S1909-F1913 PolarHBondContact O-N 3.47Å | ||
| 1910 | H | 61 | Low | 60.6 | Low | 75 Ų | 75 | 72.7 Ų | 72.7 | 35% | 0.347 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -54.4 | -40.8 | 171.3 | -170.3 | 81.4 | 0 | 0 | 0 | 112.2 | T1870 G1871 F1913 K1914 | T1870-H1910 PolarHBondContact O-N 3.05Å; G1871-H1910 PolarHBondContact O-ND1 3.22Å; H1910-F1913 PolarHBondContact O-N 2.87Å; H1910-K1914 WeakPolarHBondContact NE2-CE 3.37Å; H1910-K1914 PolarHBondContact NE2-NZ 2.84Å; H1910-K1914 PolarHBondContact O-N 3.01Å |
| 1911 | E | 58.4 | Low | 59.9 | Low | 153 Ų | 153 | 71.1 Ų | 71.1 | 72% | 0.715 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.9 | -42.6 | 176.5 | -60.1 | -164.1 | 143.9 | 0 | 0 | 111.9 | S1909 F1913 K1914 K1915 | S1909-E1911 PolarHBondContact O-N 3.1Å; E1911-F1913 VanDerWaalsContact C-N 3.29Å; E1911-F1913 PolarHBondContact O-N 2.84Å; E1911-K1914 PolarHBondContact O-N 3.26Å; E1911-K1915 WeakPolarHBondContact O-CB 3.04Å; E1911-K1915 PolarHBondContact O-N 3.23Å |
| 1912 | Y | 64.1 | Low | 59.2 | Low | 61 Ų | 61 | 72.1 Ų | 72.1 | 24% | 0.239 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 173 | -173 | -86.3 | 0 | 0 | 0 | 110.1 | T1905 V1908 S1909 K1915 H1916 F1920 | T1905-Y1912 HydrophobicContact CG2-CE1 3.8Å; V1908-Y1912 HydrophobicContact CB-CD1 4.42Å; V1908-Y1912 HydrophobicContact CG1-CD1 4.18Å; V1908-Y1912 HydrophobicContact CG2-CD1 4.32Å; V1908-Y1912 HydrophobicContact CG2-CE1 4.36Å; S1909-Y1912 CarbonylContact O-C 3.25Å; S1909-Y1912 PolarHBondContact O-N 3.25Å; S1909-Y1912 VanDerWaalsContact O-N 3.13Å; S1909-Y1912 WeakPolarHBondContact OG-CB 3.4Å; S1909-Y1912 PolarHBondContact OG-N 2.99Å; Y1912-K1915 PolarHBondContact O-N 2.9Å; Y1912-H1916 HydrophobicContact CD1-CB 4.26Å; Y1912-H1916 AromaticContact CD1-ND1 3.85Å; Y1912-H1916 AromaticContact CD2-CE1 3.29Å; Y1912-H1916 WeakPolarHBondContact CD2-CE1 3.13Å; Y1912-H1916 AromaticContact CD2-ND1 3.42Å; Y1912-H1916 WeakPolarHBondContact CD2-ND1 3.27Å; Y1912-H1916 AromaticContact CD2-NE2 3.98Å; Y1912-H1916 HydrophobicContact CE1-CB 4.05Å; Y1912-H1916 AromaticContact CE1-CG 3.91Å; Y1912-H1916 AromaticContact CE2-CD2 3.85Å; Y1912-H1916 AromaticContact CE2-CE1 3.3Å; Y1912-H1916 WeakPolarHBondContact CE2-CE1 3.37Å; Y1912-H1916 AromaticContact CE2-CG 3.92Å; Y1912-H1916 AromaticContact CE2-ND1 3.58Å; Y1912-H1916 AromaticContact CE2-NE2 3.48Å; Y1912-H1916 WeakPolarHBondContact CE2-NE2 3.44Å; Y1912-H1916 AromaticContact CG-CE1 3.92Å; Y1912-H1916 AromaticContact CG-ND1 3.55Å; Y1912-H1916 AromaticContact CZ-CD2 3.78Å; Y1912-H1916 AromaticContact CZ-CE1 3.96Å; Y1912-H1916 AromaticContact CZ-CG 3.78Å; Y1912-H1916 AromaticContact CZ-ND1 3.87Å; Y1912-H1916 AromaticContact CZ-NE2 3.92Å; Y1912-H1916 WeakPolarHBondContact O-CA 3.34Å; Y1912-H1916 WeakPolarHBondContact O-CB 3.26Å; Y1912-H1916 PolarHBondContact O-N 3.19Å; Y1912-H1916 PolarHBondContact O-ND1 3.31Å; Y1912-F1920 HydrophobicContact CD1-CE1 4.28Å; Y1912-F1920 AromaticContact CD1-CZ 3.82Å; Y1912-F1920 HydrophobicContact CD1-CZ 3.82Å; Y1912-F1920 AromaticContact CE1-CE1 3.66Å; Y1912-F1920 HydrophobicContact CE1-CE1 3.66Å; Y1912-F1920 AromaticContact CE1-CZ 3.68Å; Y1912-F1920 HydrophobicContact CE1-CZ 3.68Å |
| 1913 | F | 63.5 | Low | 58.4 | Low | 37 Ų | 37 | 75.9 Ų | 75.9 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 178.8 | -158.9 | -79.4 | 0 | 0 | 0 | 111.7 | Y1899 V1908 S1909 H1910 E1911 H1916 M1917 F1920 | Y1899-F1913 HydrophobicContact CD1-CZ 4.01Å; Y1899-F1913 HydrophobicContact CD2-CE2 4.25Å; Y1899-F1913 AromaticContact CD2-CZ 3.75Å; Y1899-F1913 HydrophobicContact CD2-CZ 3.75Å; Y1899-F1913 HydrophobicContact CE1-CE1 4.32Å; Y1899-F1913 AromaticContact CE1-CZ 3.86Å; Y1899-F1913 HydrophobicContact CE1-CZ 3.86Å; Y1899-F1913 HydrophobicContact CE2-CE1 4.46Å; Y1899-F1913 HydrophobicContact CE2-CE2 4.46Å; Y1899-F1913 AromaticContact CE2-CZ 3.63Å; Y1899-F1913 HydrophobicContact CE2-CZ 3.63Å; Y1899-F1913 HydrophobicContact CG-CE2 4.43Å; Y1899-F1913 AromaticContact CG-CZ 3.92Å; Y1899-F1913 HydrophobicContact CG-CZ 3.92Å; Y1899-F1913 AromaticContact CZ-CZ 3.66Å; V1908-F1913 HydrophobicContact CG1-CB 4.38Å; V1908-F1913 HydrophobicContact CG1-CD2 3.87Å; S1909-F1913 VanDerWaalsContact O-CB 3.3Å; S1909-F1913 WeakPolarHBondContact O-CB 3.49Å; S1909-F1913 PolarHBondContact O-N 3.47Å; H1910-F1913 PolarHBondContact O-N 2.87Å; E1911-F1913 VanDerWaalsContact C-N 3.29Å; E1911-F1913 PolarHBondContact O-N 2.84Å; F1913-H1916 CarbonylContact O-C 3.46Å; F1913-M1917 WeakPolarHBondContact O-CA 3.36Å; F1913-M1917 WeakPolarHBondContact O-CB 3.19Å; F1913-M1917 PolarHBondContact O-N 3.5Å; F1913-F1920 HydrophobicContact CB-CE2 4.4Å; F1913-F1920 HydrophobicContact CD2-CD2 4.37Å; F1913-F1920 AromaticContact CD2-CE2 3.52Å; F1913-F1920 HydrophobicContact CD2-CE2 3.52Å; F1913-F1920 HydrophobicContact CD2-CZ 4.33Å; F1913-F1920 HydrophobicContact CE2-CD2 4.21Å; F1913-F1920 AromaticContact CE2-CE2 3.76Å; F1913-F1920 HydrophobicContact CE2-CE2 3.76Å; F1913-F1920 AromaticContact CG-CE2 3.9Å; F1913-F1920 HydrophobicContact CG-CE2 3.9Å; F1913-F1920 HydrophobicContact CZ-CD2 4.46Å; F1913-F1920 HydrophobicContact CZ-CE2 4.35Å |
| 1914 | K | 62.2 | Low | 57.2 | Low | 146 Ų | 146 | 75 Ų | 75 | 64% | 0.635 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 171.7 | -89.3 | 174.6 | 169.5 | 155.6 | 0 | 112.7 | H1910 E1911 | H1910-K1914 WeakPolarHBondContact NE2-CE 3.37Å; H1910-K1914 PolarHBondContact NE2-NZ 2.84Å; H1910-K1914 PolarHBondContact O-N 3.01Å; E1911-K1914 PolarHBondContact O-N 3.26Å |
| 1915 | K | 63.5 | Low | 56.2 | Low | 161 Ų | 161 | 77.1 Ų | 77.1 | 70% | 0.7 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -77.4 | -22.9 | -173.7 | -169 | 173.4 | -176.1 | 176.1 | 0 | 113.4 | E1911 Y1912 | E1911-K1915 WeakPolarHBondContact O-CB 3.04Å; E1911-K1915 PolarHBondContact O-N 3.23Å; Y1912-K1915 PolarHBondContact O-N 2.9Å |
| 1916 | H | 64.6 | Low | 54.7 | Low | 41 Ų | 41 | 85 Ų | 85 | 19% | 0.19 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 15.8 | 178 | -54.6 | 75.8 | 0 | 0 | 0 | 112 | Y1912 F1913 H1919 F1920 | Y1912-H1916 HydrophobicContact CD1-CB 4.26Å; Y1912-H1916 AromaticContact CD1-ND1 3.85Å; Y1912-H1916 AromaticContact CD2-CE1 3.29Å; Y1912-H1916 WeakPolarHBondContact CD2-CE1 3.13Å; Y1912-H1916 AromaticContact CD2-ND1 3.42Å; Y1912-H1916 WeakPolarHBondContact CD2-ND1 3.27Å; Y1912-H1916 AromaticContact CD2-NE2 3.98Å; Y1912-H1916 HydrophobicContact CE1-CB 4.05Å; Y1912-H1916 AromaticContact CE1-CG 3.91Å; Y1912-H1916 AromaticContact CE2-CD2 3.85Å; Y1912-H1916 AromaticContact CE2-CE1 3.3Å; Y1912-H1916 WeakPolarHBondContact CE2-CE1 3.37Å; Y1912-H1916 AromaticContact CE2-CG 3.92Å; Y1912-H1916 AromaticContact CE2-ND1 3.58Å; Y1912-H1916 AromaticContact CE2-NE2 3.48Å; Y1912-H1916 WeakPolarHBondContact CE2-NE2 3.44Å; Y1912-H1916 AromaticContact CG-CE1 3.92Å; Y1912-H1916 AromaticContact CG-ND1 3.55Å; Y1912-H1916 AromaticContact CZ-CD2 3.78Å; Y1912-H1916 AromaticContact CZ-CE1 3.96Å; Y1912-H1916 AromaticContact CZ-CG 3.78Å; Y1912-H1916 AromaticContact CZ-ND1 3.87Å; Y1912-H1916 AromaticContact CZ-NE2 3.92Å; Y1912-H1916 WeakPolarHBondContact O-CA 3.34Å; Y1912-H1916 WeakPolarHBondContact O-CB 3.26Å; Y1912-H1916 PolarHBondContact O-N 3.19Å; Y1912-H1916 PolarHBondContact O-ND1 3.31Å; F1913-H1916 CarbonylContact O-C 3.46Å; H1916-H1919 HydrophobicContact CB-CB 4.18Å; H1916-H1919 AromaticContact CD2-CD2 3.82Å; H1916-H1919 CarbonylContact O-C 3.53Å; H1916-H1919 WeakPolarHBondContact O-CA 3.39Å; H1916-H1919 PolarHBondContact O-N 2.56Å; H1916-F1920 HydrophobicContact CB-CD1 4.45Å; H1916-F1920 HydrophobicContact CB-CE1 4.04Å; H1916-F1920 HydrophobicContact CB-CZ 4.2Å; H1916-F1920 WeakPolarHBondContact O-CG 3.23Å; H1916-F1920 PolarHBondContact O-N 2.91Å |
| 1917 | M | 52.5 | Low | 53.3 | Low | 80 Ų | 80 | 81.9 Ų | 81.9 | 39% | 0.394 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -8.3 | 158.5 | -150.3 | 178.8 | 176.7 | 0 | 0 | 112.9 | F1913 L2087 I2088 | F1913-M1917 WeakPolarHBondContact O-CA 3.36Å; F1913-M1917 WeakPolarHBondContact O-CB 3.19Å; F1913-M1917 PolarHBondContact O-N 3.5Å; M1917-L2087 CarbonylContact C-O 3.57Å; M1917-L2087 VanDerWaalsContact C-O 3.25Å; M1917-L2087 CarbonylContact O-C 3.58Å; M1917-L2087 VanDerWaalsContact O-C 3.3Å; M1917-I2088 HydrophobicContact CE-CD1 4.36Å; M1917-I2088 HydrophobicContact CE-CG2 3.85Å; M1917-I2088 HydrophobicContact CG-CB 4.14Å; M1917-I2088 HydrophobicContact CG-CD1 3.72Å; M1917-I2088 HydrophobicContact CG-CG2 3.75Å; M1917-I2088 VanDerWaalsContact O-CB 3.25Å; M1917-I2088 WeakPolarHBondContact O-CB 3.4Å; M1917-I2088 WeakPolarHBondContact O-CG2 3.25Å; M1917-I2088 PolarHBondContact O-N 3.43Å |
| 1918 | P | 53.1 | Low | 51.7 | Low | 60 Ų | 60 | 84.5 Ų | 84.5 | 39% | 0.39 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 18 | 156.7 | 34.7 | -35.2 | 0 | 0 | 0 | 115.5 | L2086 L2087 | P1918-L2086 CarbonylContact O-C 3.34Å; P1918-L2087 VanDerWaalsContact C-C 3.5Å; P1918-L2087 CarbonylContact C-O 3.56Å; P1918-L2087 WeakPolarHBondContact CA-O 3.48Å; P1918-L2087 PolarHBondContact O-N 2.94Å |
| 1919 | H | 54.1 | Low | 50 | Low | 112 Ų | 112 | 89.7 Ų | 89.7 | 52% | 0.519 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -132.6 | 16.8 | 169.5 | -58.7 | -39.5 | 0 | 0 | 0 | 117.5 | H1916 L2087 | H1916-H1919 HydrophobicContact CB-CB 4.18Å; H1916-H1919 AromaticContact CD2-CD2 3.82Å; H1916-H1919 CarbonylContact O-C 3.53Å; H1916-H1919 WeakPolarHBondContact O-CA 3.39Å; H1916-H1919 PolarHBondContact O-N 2.56Å; H1919-L2087 CarbonylContact C-O 3.26Å; H1919-L2087 WeakPolarHBondContact CA-O 3.41Å; H1919-L2087 PolarHBondContact N-O 3.01Å |
| 1920 | F | 54.8 | Low | 48.5 | Very low | 5 Ų | 5 | 92.4 Ų | 92.4 | 2% | 0.022 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -99 | -117 | 175.5 | -67 | -17.7 | 0 | 0 | 0 | 115.3 | I1900 L1901 P1902 V1908 Y1912 F1913 H1916 L2087 I2088 | I1900-F1920 CarbonylContact O-C 3.54Å; I1900-F1920 WeakPolarHBondContact O-CA 3.42Å; L1901-F1920 HydrophobicContact CD2-CD1 4.3Å; L1901-F1920 HydrophobicContact CD2-CD2 4.47Å; L1901-F1920 HydrophobicContact CD2-CE1 3.95Å; L1901-F1920 HydrophobicContact CD2-CE2 4.17Å; L1901-F1920 HydrophobicContact CD2-CZ 3.87Å; P1902-F1920 HydrophobicContact CG-CD1 4.05Å; P1902-F1920 HydrophobicContact CG-CE1 4.27Å; V1908-F1920 HydrophobicContact CG1-CZ 4.23Å; Y1912-F1920 HydrophobicContact CD1-CE1 4.28Å; Y1912-F1920 AromaticContact CD1-CZ 3.82Å; Y1912-F1920 HydrophobicContact CD1-CZ 3.82Å; Y1912-F1920 AromaticContact CE1-CE1 3.66Å; Y1912-F1920 HydrophobicContact CE1-CE1 3.66Å; Y1912-F1920 AromaticContact CE1-CZ 3.68Å; Y1912-F1920 HydrophobicContact CE1-CZ 3.68Å; F1913-F1920 HydrophobicContact CB-CE2 4.4Å; F1913-F1920 HydrophobicContact CD2-CD2 4.37Å; F1913-F1920 AromaticContact CD2-CE2 3.52Å; F1913-F1920 HydrophobicContact CD2-CE2 3.52Å; F1913-F1920 HydrophobicContact CD2-CZ 4.33Å; F1913-F1920 HydrophobicContact CE2-CD2 4.21Å; F1913-F1920 AromaticContact CE2-CE2 3.76Å; F1913-F1920 HydrophobicContact CE2-CE2 3.76Å; F1913-F1920 AromaticContact CG-CE2 3.9Å; F1913-F1920 HydrophobicContact CG-CE2 3.9Å; F1913-F1920 HydrophobicContact CZ-CD2 4.46Å; F1913-F1920 HydrophobicContact CZ-CE2 4.35Å; H1916-F1920 HydrophobicContact CB-CD1 4.45Å; H1916-F1920 HydrophobicContact CB-CE1 4.04Å; H1916-F1920 HydrophobicContact CB-CZ 4.2Å; H1916-F1920 WeakPolarHBondContact O-CG 3.23Å; H1916-F1920 PolarHBondContact O-N 2.91Å; F1920-L2087 PolarHBondContact N-O 2.64Å; F1920-L2087 WeakPolarHBondContact O-CB 3.13Å; F1920-L2087 WeakPolarHBondContact O-CD2 2.93Å; F1920-L2087 WeakPolarHBondContact O-CG 3.1Å; F1920-I2088 HydrophobicContact CB-CD1 3.98Å; F1920-I2088 HydrophobicContact CB-CG1 4.06Å; F1920-I2088 HydrophobicContact CD2-CD1 4.12Å |
| 1921 | T | 47.9 | Very low | 47.1 | Very low | 37 Ų | 37 | 92.6 Ų | 92.6 | 23% | 0.227 | 46% | 0.458 | C | S | . | . | trans | -177.5 | 145 | 160.1 | -53.8 | 0 | 0 | 0 | 0 | 108.4 | Y1899 I1900 L2087 I2088 | Y1899-T1921 WeakPolarHBondContact CA-O 3.25Å; I1900-T1921 HydrophobicContact CD1-CG2 4.14Å; I1900-T1921 PolarHBondContact N-O 3.42Å; T1921-L2087 WeakPolarHBondContact OG1-CD2 3.45Å; T1921-I2088 CarbonylContact C-O 3.42Å; T1921-I2088 WeakPolarHBondContact CA-O 3.41Å | ||
| 1922 | V | 47 | Very low | 46 | Very low | 27 Ų | 27 | 91.2 Ų | 91.2 | 16% | 0.164 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 150.6 | 159 | -99.5 | 0 | 0 | 0 | 0 | 114.5 | Q1897 Y1898 Y1899 T1924 I2088 | Q1897-V1922 HydrophobicContact CB-CG1 3.7Å; Q1897-V1922 HydrophobicContact CG-CG1 3.87Å; Y1898-V1922 WeakPolarHBondContact O-CA 3.39Å; Y1898-V1922 WeakPolarHBondContact O-CG1 3.41Å; Y1899-V1922 HydrophobicContact CD1-CG1 4.01Å; Y1899-V1922 HydrophobicContact CE1-CG1 4.02Å; V1922-T1924 HydrophobicContact CB-CG2 4.17Å; V1922-T1924 HydrophobicContact CG1-CG2 4.3Å; V1922-T1924 HydrophobicContact CG2-CG2 4.22Å; V1922-I2088 HydrophobicContact CB-CG1 4.18Å; V1922-I2088 HydrophobicContact CG1-CG1 3.99Å; V1922-I2088 HydrophobicContact CG2-CB 3.89Å; V1922-I2088 HydrophobicContact CG2-CG1 3.86Å; V1922-I2088 HydrophobicContact CG2-CG2 3.69Å; V1922-I2088 WeakPolarHBondContact CG2-OXT 3.28Å; V1922-I2088 PolarHBondContact N-O 3.5Å |
| 1923 | Q | 44.6 | Very low | 44.6 | Very low | 117 Ų | 117 | 90.4 Ų | 90.4 | 55% | 0.547 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 118.5 | 143.3 | -64.2 | -174.3 | 2.1 | 0 | 0 | 108.6 | ||
| 1924 | T | 34.3 | Very low | 43.3 | Very low | 96 Ų | 96 | 93.8 Ų | 93.8 | 59% | 0.589 | 48% | 0.479 | S | S | * | . | trans | -100.5 | 128.6 | -179.7 | 38.6 | 0 | 0 | 0 | 0 | 111.8 | Q1897 V1922 | Q1897-T1924 HydrophobicContact CG-CG2 4.22Å; V1922-T1924 HydrophobicContact CB-CG2 4.17Å; V1922-T1924 HydrophobicContact CG1-CG2 4.3Å; V1922-T1924 HydrophobicContact CG2-CG2 4.22Å | ||
| 1925 | K | 36.7 | Very low | 42.2 | Very low | 105 Ų | 105 | 89.3 Ų | 89.3 | 46% | 0.457 | 46% | 0.459 | S | S | . | . | trans | -134.4 | 118.2 | 152.8 | -77.8 | -170.8 | -179.9 | 176.3 | 0 | 108.2 | Y1927 A1961 | K1925-Y1927 HydrophobicContact CB-CD2 4.46Å; K1925-Y1927 HydrophobicContact CB-CE2 4.04Å; K1925-Y1927 PolarHBondContact O-N 3.35Å; K1925-A1961 HydrophobicContact CD-CB 4.17Å; K1925-A1961 PolarHBondContact NZ-O 3.4Å | ||
| 1926 | Q | 31.1 | Very low | 41.5 | Very low | 188 Ų | 188 | 83.4 Ų | 83.4 | 88% | 0.879 | 43% | 0.434 | S | S | * | . | trans | -71 | 113.2 | 174.8 | -69.6 | 173.3 | -53.9 | 0 | 0 | 108.9 | ||||
| 1927 | Y | 33.7 | Very low | 40.6 | Very low | 129 Ų | 129 | 82.7 Ų | 82.7 | 51% | 0.506 | 44% | 0.437 | S | S | . | . | trans | -99.9 | 109.7 | 162.8 | -71.5 | -84.8 | 0 | 0 | 0 | 107.6 | K1925 I1963 | K1925-Y1927 HydrophobicContact CB-CD2 4.46Å; K1925-Y1927 HydrophobicContact CB-CE2 4.04Å; K1925-Y1927 PolarHBondContact O-N 3.35Å; Y1927-I1963 HydrophobicContact CE1-CD1 4.39Å | ||
| 1928 | T | 30.3 | Very low | 40.5 | Very low | 112 Ų | 112 | 82.9 Ų | 82.9 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | trans | -90.6 | 150.3 | 174.6 | 42.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1929 | N | 28.7 | Very low | 40.4 | Very low | 113 Ų | 113 | 84.9 Ų | 84.9 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | trans | 59.1 | 81.9 | 178.7 | -64 | -4.4 | 0 | 0 | 0 | 116 | ||||
| 1930 | C | 32.3 | Very low | 40.2 | Very low | 86 Ų | 86 | 79.7 Ų | 79.7 | 58% | 0.581 | 42% | 0.417 | S | S | * | . | trans | -109 | 111.7 | 158.9 | -72.2 | 0 | 0 | 0 | 0 | 110.2 | V1933 | C1930-V1933 HydrophobicContact CB-CG2 3.92Š| ||
| 1931 | N | 32 | Very low | 40.1 | Very low | 78 Ų | 78 | 83 Ų | 83 | 42% | 0.417 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -55 | 151.3 | 146 | -84.1 | -12.8 | 0 | 0 | 0 | 108 | V1933 | N1931-V1933 PolarHBondContact O-N 3.37Š|
| 1932 | P | 34.9 | Very low | 40.2 | Very low | 124 Ų | 124 | 86.7 Ų | 86.7 | 81% | 0.805 | 45% | 0.453 | S | S | * | . | trans | -53.7 | 104.1 | -167.6 | 20 | -33.4 | 0 | 0 | 0 | 111.5 | K1934 | P1932-K1934 PolarHBondContact O-N 2.81Š| ||
| 1933 | V | 34.5 | Very low | 40.3 | Very low | 44 Ų | 44 | 89 Ų | 89 | 27% | 0.267 | 46% | 0.464 | S | S | . | . | trans | -61.7 | 113.5 | -180 | 180 | 0 | 0 | 0 | 0 | 106.3 | C1930 N1931 F1935 | C1930-V1933 HydrophobicContact CB-CG2 3.92Å; N1931-V1933 PolarHBondContact O-N 3.37Å; V1933-F1935 HydrophobicContact CB-CD2 4.44Å; V1933-F1935 HydrophobicContact CG1-CD2 4.25Å; V1933-F1935 PolarHBondContact O-N 2.94Å | ||
| 1934 | K | 37.5 | Very low | 40.8 | Very low | 109 Ų | 109 | 84.2 Ų | 84.2 | 47% | 0.474 | 44% | 0.443 | S | S | . | . | trans | -63.4 | 95.6 | 167.3 | -86.4 | -170.1 | 165.7 | -168.7 | 0 | 107.2 | P1932 H1936 S1948 T1974 | P1932-K1934 PolarHBondContact O-N 2.81Å; K1934-H1936 PolarHBondContact O-N 3.13Å; K1934-S1948 PolarHBondContact O-OG 3.07Å; K1934-S1948 VanDerWaalsContact O-OG 3.13Å; K1934-T1974 PolarHBondContact NZ-O 3.33Å | ||
| 1935 | F | 38.6 | Very low | 41.8 | Very low | 52 Ų | 52 | 80.4 Ų | 80.4 | 23% | 0.228 | 42% | 0.42 | C | S | . | . | trans | -81.8 | 72.3 | -163.4 | -141.6 | -59.1 | 0 | 0 | 0 | 110.3 | Y1882 Y1891 V1933 G1937 F1947 | Y1882-F1935 HydrophobicContact CE2-CD1 4.21Å; Y1882-F1935 AromaticContact CE2-CE1 3.84Å; Y1882-F1935 HydrophobicContact CE2-CE1 3.84Å; Y1882-F1935 HydrophobicContact CE2-CE2 4.41Å; Y1882-F1935 AromaticContact CE2-CZ 3.94Å; Y1882-F1935 HydrophobicContact CE2-CZ 3.94Å; Y1882-F1935 AromaticContact CZ-CD1 3.86Å; Y1882-F1935 AromaticContact CZ-CE1 3.74Å; Y1882-F1935 WeakPolarHBondContact OH-CD1 3.34Å; Y1882-F1935 WeakPolarHBondContact OH-CE1 3.3Å; Y1891-F1935 HydrophobicContact CE1-CZ 4.09Å; V1933-F1935 HydrophobicContact CB-CD2 4.44Å; V1933-F1935 HydrophobicContact CG1-CD2 4.25Å; V1933-F1935 PolarHBondContact O-N 2.94Å; F1935-G1937 PolarHBondContact O-N 3.38Å; F1935-F1947 HydrophobicContact CE1-CD1 4.14Å; F1935-F1947 AromaticContact CE1-CE1 3.89Å; F1935-F1947 HydrophobicContact CE1-CE1 3.89Å; F1935-F1947 HydrophobicContact CE2-CD1 4.47Å; F1935-F1947 HydrophobicContact CE2-CE1 4.29Å; F1935-F1947 AromaticContact CZ-CD1 3.9Å; F1935-F1947 HydrophobicContact CZ-CD1 3.9Å; F1935-F1947 AromaticContact CZ-CE1 3.47Å; F1935-F1947 HydrophobicContact CZ-CE1 3.47Å; F1935-F1947 VanDerWaalsContact CZ-CE1 3.47Å; F1935-F1947 HydrophobicContact CZ-CZ 4.39Å | ||
| 1936 | H | 48.6 | Very low | 42.9 | Very low | 37 Ų | 37 | 75.5 Ų | 75.5 | 17% | 0.171 | 40% | 0.398 | C | S | . | . | trans | -77.8 | 50.4 | 174.6 | -53.1 | -41.9 | 0 | 0 | 0 | 111 | K1934 Y1938 S1948 T1974 T1975 I1976 | K1934-H1936 PolarHBondContact O-N 3.13Å; H1936-Y1938 WeakPolarHBondContact O-CD2 3.49Å; H1936-Y1938 PolarHBondContact O-N 3.05Å; H1936-S1948 PolarHBondContact CD2-OG 3.12Å; H1936-T1974 PolarHBondContact NE2-O 2.77Å; H1936-T1975 WeakPolarHBondContact NE2-CA 3.48Å; H1936-I1976 HydrophobicContact CB-CB 3.85Å; H1936-I1976 HydrophobicContact CB-CD1 4.38Å; H1936-I1976 HydrophobicContact CB-CG1 4.29Å | ||
| 1937 | G | 46.3 | Very low | 44.3 | Very low | 25 Ų | 25 | 68.6 Ų | 68.6 | 26% | 0.258 | 37% | 0.365 | S | S | . | . | trans | -79 | 81.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F1935 | F1935-G1937 PolarHBondContact O-N 3.38Š| ||
| 1938 | Y | 50 | Low | 45.3 | Very low | 84 Ų | 84 | 62.6 Ų | 62.6 | 33% | 0.329 | 34% | 0.342 | S | S | . | . | trans | -79.1 | 131.7 | 165.6 | -66.2 | -85.9 | 0 | 0 | 0 | 110.5 | H1936 I1946 I1976 K1978 | H1936-Y1938 WeakPolarHBondContact O-CD2 3.49Å; H1936-Y1938 PolarHBondContact O-N 3.05Å; Y1938-I1946 PolarHBondContact O-N 2.94Å; Y1938-I1976 WeakPolarHBondContact CE2-O 3.3Å; Y1938-I1976 PolarHBondContact OH-O 3.43Å; Y1938-K1978 HydrophobicContact CD1-CB 4.09Å; Y1938-K1978 HydrophobicContact CE1-CB 4.28Å; Y1938-K1978 HydrophobicContact CG-CB 4.44Å | ||
| 1939 | I | 50 | Low | 46.5 | Very low | 102 Ų | 102 | 59.3 Ų | 59.3 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 125.4 | 164.2 | -58.3 | 177.9 | 0 | 0 | 0 | 107.6 | L1944 | I1939-L1944 WeakPolarHBondContact CA-O 3.48Å |
| 1940 | L | 51 | Low | 48.1 | Very low | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.5 | 172.5 | -62.7 | 177.1 | 0 | 0 | 0 | 109.4 | D1942 N1943 L1944 I1946 K1978 L1986 I2000 | L1940-D1942 PolarHBondContact O-N 2.71Å; L1940-D1942 VanDerWaalsContact O-N 3.07Å; L1940-N1943 PolarHBondContact O-N 2.93Å; L1940-N1943 VanDerWaalsContact O-N 3.12Å; L1940-L1944 HydrophobicContact CB-CB 4.29Å; L1940-L1944 PolarHBondContact N-O 2.9Å; L1940-L1944 PolarHBondContact O-N 3.33Å; L1940-I1946 HydrophobicContact CD1-CD1 3.61Å; L1940-I1946 HydrophobicContact CG-CD1 4.35Å; L1940-K1978 HydrophobicContact CD2-CD 3.76Å; L1940-K1978 HydrophobicContact CD2-CG 4.08Å; L1940-L1986 HydrophobicContact CD1-CD2 4.44Å; L1940-I2000 HydrophobicContact CD1-CD1 3.53Å |
| 1941 | N | 52 | Low | 49.7 | Very low | 75 Ų | 75 | 56 Ų | 56 | 40% | 0.401 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 37.8 | 177.2 | -57.9 | 11.4 | 0 | 0 | 0 | 114.2 | N1943 D1983 E2004 | N1941-N1943 WeakPolarHBondContact O-CB 3.42Å; N1941-N1943 PolarHBondContact O-N 3.4Å; N1941-N1943 PolarHBondContact O-ND2 2.96Å; N1941-D1983 PolarHBondContact OD1-OD2 3.2Å; N1941-E2004 PolarHBondContact ND2-OE1 3.27Å |
| 1942 | D | 49.5 | Very low | 51 | Low | 113 Ų | 113 | 53.4 Ų | 53.4 | 60% | 0.604 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 9.7 | -176.3 | -68.6 | -27.8 | 0 | 0 | 0 | 117 | K1887 L1940 | K1887-D1942 PolarHBondContact NZ-O 3.46Å; L1940-D1942 PolarHBondContact O-N 2.71Å; L1940-D1942 VanDerWaalsContact O-N 3.07Å |
| 1943 | N | 50.7 | Low | 52.5 | Low | 76 Ų | 76 | 47.8 Ų | 47.8 | 41% | 0.406 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.9 | -8.3 | -164.9 | -76.1 | -74.2 | 0 | 0 | 0 | 114.5 | L1940 N1941 R1957 P1958 | L1940-N1943 PolarHBondContact O-N 2.93Å; L1940-N1943 VanDerWaalsContact O-N 3.12Å; N1941-N1943 WeakPolarHBondContact O-CB 3.42Å; N1941-N1943 PolarHBondContact O-N 3.4Å; N1941-N1943 PolarHBondContact O-ND2 2.96Å; N1943-R1957 WeakPolarHBondContact O-CA 3.24Å; N1943-R1957 WeakPolarHBondContact O-CG 3.36Å; N1943-P1958 WeakPolarHBondContact O-CD 3.47Å |
| 1944 | L | 54.8 | Low | 53.9 | Low | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.089 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.3 | 176.1 | -68.6 | 171.3 | 0 | 0 | 0 | 110.3 | I1939 L1940 L1955 V1956 R1957 V1964 T2002 | I1939-L1944 WeakPolarHBondContact CA-O 3.48Å; L1940-L1944 HydrophobicContact CB-CB 4.29Å; L1940-L1944 PolarHBondContact N-O 2.9Å; L1940-L1944 PolarHBondContact O-N 3.33Å; L1944-L1955 HydrophobicContact CB-CD1 4.45Å; L1944-L1955 HydrophobicContact CD2-CD1 4.5Å; L1944-L1955 HydrophobicContact CD2-CD2 4.37Å; L1944-L1955 HydrophobicContact CD2-CG 4.18Å; L1944-V1956 WeakPolarHBondContact CA-O 3.38Å; L1944-R1957 HydrophobicContact CD2-CB 4.29Å; L1944-V1964 HydrophobicContact CD2-CG2 4.36Å; L1944-T2002 HydrophobicContact CD1-CG2 4.2Å |
| 1945 | C | 55.1 | Low | 55.2 | Low | 16 Ų | 16 | 44.1 Ų | 44.1 | 11% | 0.108 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.7 | 172.6 | -69.9 | 0 | 0 | 0 | 0 | 109.7 | F1947 V1956 P1958 | C1945-F1947 HydrophobicContact CB-CD2 4.48Å; C1945-F1947 HydrophobicContact CB-CE2 3.59Å; C1945-F1947 HydrophobicContact CB-CZ 4.15Å; C1945-V1956 PolarHBondContact N-O 3.32Å; C1945-V1956 PolarHBondContact O-N 3.18Å; C1945-P1958 HydrophobicContact CB-CG 4.14Å; C1945-P1958 WeakPolarHBondContact SG-CG 3.34Å |
| 1946 | I | 59.6 | Low | 55.9 | Low | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138.2 | -179.3 | -65.3 | 156.4 | 0 | 0 | 0 | 109.5 | Y1938 L1940 I1953 L1955 I1976 L1986 I2000 | Y1938-I1946 PolarHBondContact O-N 2.94Å; L1940-I1946 HydrophobicContact CD1-CD1 3.61Å; L1940-I1946 HydrophobicContact CG-CD1 4.35Å; I1946-I1953 HydrophobicContact CG2-CG2 4.08Å; I1946-L1955 HydrophobicContact CG1-CD1 3.99Å; I1946-I1976 HydrophobicContact CG2-CD1 4.48Å; I1946-L1986 HydrophobicContact CD1-CD1 3.61Å; I1946-L1986 HydrophobicContact CD1-CD2 3.48Å; I1946-L1986 VanDerWaalsContact CD1-CD2 3.48Å; I1946-L1986 HydrophobicContact CD1-CG 4.17Å; I1946-L1986 HydrophobicContact CG1-CD1 4.36Å; I1946-I2000 HydrophobicContact CD1-CD1 4.44Å |
| 1947 | F | 59.5 | Low | 56.3 | Low | 43 Ų | 43 | 45.5 Ų | 45.5 | 19% | 0.189 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 149.8 | 178.7 | -56.4 | -111.8 | 0 | 0 | 0 | 108.9 | F1935 C1945 I1953 Y1954 V1956 | F1935-F1947 HydrophobicContact CE1-CD1 4.14Å; F1935-F1947 AromaticContact CE1-CE1 3.89Å; F1935-F1947 HydrophobicContact CE1-CE1 3.89Å; F1935-F1947 HydrophobicContact CE2-CD1 4.47Å; F1935-F1947 HydrophobicContact CE2-CE1 4.29Å; F1935-F1947 AromaticContact CZ-CD1 3.9Å; F1935-F1947 HydrophobicContact CZ-CD1 3.9Å; F1935-F1947 AromaticContact CZ-CE1 3.47Å; F1935-F1947 HydrophobicContact CZ-CE1 3.47Å; F1935-F1947 VanDerWaalsContact CZ-CE1 3.47Å; F1935-F1947 HydrophobicContact CZ-CZ 4.39Å; C1945-F1947 HydrophobicContact CB-CD2 4.48Å; C1945-F1947 HydrophobicContact CB-CE2 3.59Å; C1945-F1947 HydrophobicContact CB-CZ 4.15Å; F1947-I1953 WeakPolarHBondContact O-CA 3.42Å; F1947-Y1954 HydrophobicContact CB-CD2 4.38Å; F1947-Y1954 PolarHBondContact N-O 2.96Å; F1947-Y1954 PolarHBondContact O-N 2.9Å; F1947-V1956 HydrophobicContact CD2-CB 4.2Å; F1947-V1956 HydrophobicContact CD2-CG2 3.61Å; F1947-V1956 HydrophobicContact CE2-CB 3.71Å; F1947-V1956 HydrophobicContact CE2-CG2 3.56Å; F1947-V1956 HydrophobicContact CZ-CG2 4.44Å |
| 1948 | S | 56 | Low | 56.2 | Low | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 135.1 | -178.8 | 48.4 | 0 | 0 | 0 | 0 | 112.1 | K1934 H1936 T1952 | K1934-S1948 PolarHBondContact O-OG 3.07Å; K1934-S1948 VanDerWaalsContact O-OG 3.13Å; H1936-S1948 PolarHBondContact CD2-OG 3.12Å; S1948-T1952 VanDerWaalsContact CA-O 3.31Å; S1948-T1952 WeakPolarHBondContact CA-O 3.45Å |
| 1949 | H | 54.2 | Low | 55.9 | Low | 43 Ų | 43 | 44.6 Ų | 44.6 | 20% | 0.199 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 111.6 | -177.1 | 175 | -90.3 | 0 | 0 | 0 | 110.6 | S1951 T1952 Y1954 | H1949-S1951 PolarHBondContact O-N 3.27Å; H1949-T1952 PolarHBondContact N-O 2.66Å; H1949-T1952 PolarHBondContact O-N 3.14Å; H1949-T1952 PolarHBondContact O-OG1 3.35Å; H1949-T1952 VanDerWaalsContact O-OG1 3.09Å; H1949-Y1954 HydrophobicContact CB-CE2 4.18Å |
| 1950 | H | 62.4 | Low | 55.6 | Low | 105 Ų | 105 | 44.6 Ų | 44.6 | 49% | 0.486 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | -98 | -171.7 | -70.4 | -100.3 | 0 | 0 | 0 | 112.6 | I1973 | H1950-I1973 WeakPolarHBondContact O-CB 3.5Å; H1950-I1973 PolarHBondContact O-N 3.02Å |
| 1951 | S | 66.2 | Low | 55.2 | Low | 26 Ų | 26 | 45.8 Ų | 45.8 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -10.2 | 175.3 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | H1949 D1968 V1969 H1971 | H1949-S1951 PolarHBondContact O-N 3.27Å; S1951-D1968 WeakPolarHBondContact CB-OD1 3.42Å; S1951-D1968 PolarHBondContact OG-OD1 3.31Å; S1951-V1969 WeakPolarHBondContact O-CB 3.38Å; S1951-V1969 VanDerWaalsContact O-CG2 3.29Å; S1951-V1969 WeakPolarHBondContact O-CG2 3.46Å; S1951-V1969 PolarHBondContact O-N 2.91Å; S1951-H1971 WeakPolarHBondContact CA-O 3.44Å; S1951-H1971 VanDerWaalsContact CB-O 3.26Å; S1951-H1971 WeakPolarHBondContact CB-O 3.2Å |
| 1952 | T | 60.1 | Low | 54.6 | Low | 23 Ų | 23 | 48.4 Ų | 48.4 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 148 | -175.8 | 62.2 | 0 | 0 | 0 | 0 | 113 | S1948 H1949 Y1954 I1967 | S1948-T1952 VanDerWaalsContact CA-O 3.31Å; S1948-T1952 WeakPolarHBondContact CA-O 3.45Å; H1949-T1952 PolarHBondContact N-O 2.66Å; H1949-T1952 PolarHBondContact O-N 3.14Å; H1949-T1952 PolarHBondContact O-OG1 3.35Å; H1949-T1952 VanDerWaalsContact O-OG1 3.09Å; T1952-Y1954 VanDerWaalsContact OG1-CE2 3.23Å; T1952-Y1954 WeakPolarHBondContact OG1-CE2 3.46Å; T1952-Y1954 PolarHBondContact OG1-OH 2.64Å; T1952-I1967 VanDerWaalsContact CA-O 3.27Å; T1952-I1967 WeakPolarHBondContact CA-O 3.25Å |
| 1953 | I | 66.7 | Low | 54.7 | Low | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 135.5 | 172.1 | -64 | 179.4 | 0 | 0 | 0 | 109.4 | I1946 F1947 F1966 I1967 V1969 I1973 I1976 I1988 | I1946-I1953 HydrophobicContact CG2-CG2 4.08Å; F1947-I1953 WeakPolarHBondContact O-CA 3.42Å; I1953-F1966 CarbonylContact O-C 3.56Å; I1953-F1966 WeakPolarHBondContact O-CA 3.45Å; I1953-F1966 WeakPolarHBondContact O-CB 3.42Å; I1953-I1967 HydrophobicContact CB-CG2 4.34Å; I1953-I1967 PolarHBondContact N-O 3.18Å; I1953-I1967 PolarHBondContact O-N 3.01Å; I1953-I1967 VanDerWaalsContact O-N 3.1Å; I1953-V1969 HydrophobicContact CD1-CG2 3.76Å; I1953-V1969 HydrophobicContact CG1-CG2 3.97Å; I1953-I1973 HydrophobicContact CD1-CD1 3.92Å; I1953-I1973 HydrophobicContact CG1-CD1 3.53Å; I1953-I1976 HydrophobicContact CD1-CD1 4.02Å; I1953-I1976 HydrophobicContact CG1-CD1 4.37Å; I1953-I1988 HydrophobicContact CD1-CD1 3.29Å; I1953-I1988 HydrophobicContact CD1-CG1 3.78Å |
| 1954 | Y | 62.9 | Low | 55.1 | Low | 68 Ų | 68 | 43.2 Ų | 43.2 | 27% | 0.267 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.6 | 176.7 | -50.9 | -95.2 | 0 | 0 | 0 | 110.5 | F1947 H1949 T1952 I1963 F1966 | F1947-Y1954 HydrophobicContact CB-CD2 4.38Å; F1947-Y1954 PolarHBondContact N-O 2.96Å; F1947-Y1954 PolarHBondContact O-N 2.9Å; H1949-Y1954 HydrophobicContact CB-CE2 4.18Å; T1952-Y1954 VanDerWaalsContact OG1-CE2 3.23Å; T1952-Y1954 WeakPolarHBondContact OG1-CE2 3.46Å; T1952-Y1954 PolarHBondContact OG1-OH 2.64Å; Y1954-I1963 HydrophobicContact CD1-CD1 4.33Å; Y1954-I1963 HydrophobicContact CD1-CG2 4.45Å; Y1954-F1966 HydrophobicContact CD1-CB 3.66Å; Y1954-F1966 HydrophobicContact CD1-CG 4.48Å; Y1954-F1966 HydrophobicContact CE1-CB 3.97Å; Y1954-F1966 HydrophobicContact CE1-CG 4.41Å; Y1954-F1966 HydrophobicContact CG-CB 4.38Å |
| 1955 | L | 64.3 | Low | 55.4 | Low | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 117.4 | 170.1 | -169.7 | 73.9 | 0 | 0 | 0 | 108.4 | L1944 I1946 V1964 T1965 I2000 | L1944-L1955 HydrophobicContact CB-CD1 4.45Å; L1944-L1955 HydrophobicContact CD2-CD1 4.5Å; L1944-L1955 HydrophobicContact CD2-CD2 4.37Å; L1944-L1955 HydrophobicContact CD2-CG 4.18Å; I1946-L1955 HydrophobicContact CG1-CD1 3.99Å; L1955-V1964 HydrophobicContact CD2-CB 4.26Å; L1955-V1964 HydrophobicContact CD2-CG1 4.21Å; L1955-V1964 HydrophobicContact CG-CB 4.47Å; L1955-V1964 WeakPolarHBondContact O-CB 3.43Å; L1955-V1964 PolarHBondContact O-N 3.16Å; L1955-T1965 HydrophobicContact CB-CG2 3.76Å; L1955-T1965 HydrophobicContact CD2-CG2 4.08Å; L1955-T1965 PolarHBondContact N-O 3.47Å; L1955-I2000 HydrophobicContact CD1-CD1 4.41Å; L1955-I2000 HydrophobicContact CD2-CG2 4.04Å |
| 1956 | V | 54 | Low | 55.9 | Low | 18 Ų | 18 | 45.2 Ų | 45.2 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 138.1 | -177 | -172.9 | 0 | 0 | 0 | 0 | 110 | L1944 C1945 F1947 P1958 K1962 I1963 | L1944-V1956 WeakPolarHBondContact CA-O 3.38Å; C1945-V1956 PolarHBondContact N-O 3.32Å; C1945-V1956 PolarHBondContact O-N 3.18Å; F1947-V1956 HydrophobicContact CD2-CB 4.2Å; F1947-V1956 HydrophobicContact CD2-CG2 3.61Å; F1947-V1956 HydrophobicContact CE2-CB 3.71Å; F1947-V1956 HydrophobicContact CE2-CG2 3.56Å; F1947-V1956 HydrophobicContact CZ-CG2 4.44Å; V1956-P1958 WeakPolarHBondContact O-CD 3.39Å; V1956-K1962 WeakPolarHBondContact CA-O 3.47Å; V1956-I1963 HydrophobicContact CG2-CG1 4.25Å |
| 1957 | R | 55.9 | Low | 56.2 | Low | 100 Ų | 100 | 45.2 Ų | 45.2 | 38% | 0.377 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 105.9 | 169 | -179.3 | 167.3 | -63.7 | 160.8 | 3.8 | 109 | N1943 L1944 T1959 L1960 A1961 K1962 V1964 | N1943-R1957 WeakPolarHBondContact O-CA 3.24Å; N1943-R1957 WeakPolarHBondContact O-CG 3.36Å; L1944-R1957 HydrophobicContact CD2-CB 4.29Å; R1957-T1959 VanDerWaalsContact C-N 3.31Å; R1957-T1959 WeakPolarHBondContact CG-OG1 3.33Å; R1957-T1959 PolarHBondContact O-N 2.95Å; R1957-L1960 HydrophobicContact CG-CB 4.46Å; R1957-L1960 HydrophobicContact CG-CD1 4.47Å; R1957-L1960 HydrophobicContact CG-CG 4.28Å; R1957-L1960 PolarHBondContact O-N 3.47Å; R1957-L1960 VanDerWaalsContact O-N 3.14Å; R1957-A1961 PolarHBondContact O-N 3.37Å; R1957-K1962 PolarHBondContact N-O 2.69Å; R1957-K1962 PolarHBondContact O-N 3.34Å; R1957-V1964 HydrophobicContact CB-CG2 3.91Å |
| 1958 | P | 45.5 | Very low | 56.6 | Low | 25 Ų | 25 | 45.5 Ų | 45.5 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -60 | -41 | -171.7 | -25.5 | 36.1 | 0 | 0 | 0 | 112.7 | N1943 C1945 V1956 L1960 A1961 | N1943-P1958 WeakPolarHBondContact O-CD 3.47Å; C1945-P1958 HydrophobicContact CB-CG 4.14Å; C1945-P1958 WeakPolarHBondContact SG-CG 3.34Å; V1956-P1958 WeakPolarHBondContact O-CD 3.39Å; P1958-L1960 PolarHBondContact O-N 3.1Å; P1958-A1961 PolarHBondContact O-N 3.29Å |
| 1959 | T | 43.8 | Very low | 57 | Low | 65 Ų | 65 | 45.5 Ų | 45.5 | 40% | 0.399 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -61.9 | -11.3 | 179.9 | 49.4 | 0 | 0 | 0 | 0 | 115.2 | R1957 | R1957-T1959 VanDerWaalsContact C-N 3.31Å; R1957-T1959 WeakPolarHBondContact CG-OG1 3.33Å; R1957-T1959 PolarHBondContact O-N 2.95Å |
| 1960 | L | 42.3 | Very low | 57.5 | Low | 103 Ų | 103 | 46.8 Ų | 46.8 | 54% | 0.539 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -123.2 | 1.5 | 174.5 | -60.9 | -177.2 | 0 | 0 | 0 | 113.3 | R1957 P1958 K1962 | R1957-L1960 HydrophobicContact CG-CB 4.46Å; R1957-L1960 HydrophobicContact CG-CD1 4.47Å; R1957-L1960 HydrophobicContact CG-CG 4.28Å; R1957-L1960 PolarHBondContact O-N 3.47Å; R1957-L1960 VanDerWaalsContact O-N 3.14Å; P1958-L1960 PolarHBondContact O-N 3.1Å; L1960-K1962 HydrophobicContact CB-CB 4.02Å; L1960-K1962 PolarHBondContact O-N 2.76Å |
| 1961 | A | 42.8 | Very low | 57.6 | Low | 28 Ų | 28 | 43.2 Ų | 43.2 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.3 | 39.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1925 R1957 P1958 | K1925-A1961 HydrophobicContact CD-CB 4.17Å; K1925-A1961 PolarHBondContact NZ-O 3.4Å; R1957-A1961 PolarHBondContact O-N 3.37Å; P1958-A1961 PolarHBondContact O-N 3.29Å |
| 1962 | K | 40.3 | Very low | 57.5 | Low | 131 Ų | 131 | 44.6 Ų | 44.6 | 57% | 0.57 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.7 | -170.5 | -177.3 | 175.8 | 179.1 | -175.1 | 0 | 110.9 | V1956 R1957 L1960 V1964 | V1956-K1962 WeakPolarHBondContact CA-O 3.47Å; R1957-K1962 PolarHBondContact N-O 2.69Å; R1957-K1962 PolarHBondContact O-N 3.34Å; L1960-K1962 HydrophobicContact CB-CB 4.02Å; L1960-K1962 PolarHBondContact O-N 2.76Å; K1962-V1964 PolarHBondContact O-N 2.88Å |
| 1963 | I | 51.8 | Low | 57.8 | Low | 51 Ų | 51 | 43.9 Ų | 43.9 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 121.2 | 164.1 | -57.2 | 172.8 | 0 | 0 | 0 | 107.3 | Y1927 Y1954 V1956 T1965 | Y1927-I1963 HydrophobicContact CE1-CD1 4.39Å; Y1954-I1963 HydrophobicContact CD1-CD1 4.33Å; Y1954-I1963 HydrophobicContact CD1-CG2 4.45Å; V1956-I1963 HydrophobicContact CG2-CG1 4.25Å; I1963-T1965 WeakPolarHBondContact CG2-O 3.48Å |
| 1964 | V | 59.4 | Low | 57.9 | Low | 28 Ų | 28 | 44.3 Ų | 44.3 | 17% | 0.17 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -37.9 | -179 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | H1070 L1944 L1955 R1957 K1962 | H1070-V1964 HydrophobicContact CB-CG1 4.39Å; H1070-V1964 PolarHBondContact ND1-O 3.04Å; L1944-V1964 HydrophobicContact CD2-CG2 4.36Å; L1955-V1964 HydrophobicContact CD2-CB 4.26Å; L1955-V1964 HydrophobicContact CD2-CG1 4.21Å; L1955-V1964 HydrophobicContact CG-CB 4.47Å; L1955-V1964 WeakPolarHBondContact O-CB 3.43Å; L1955-V1964 PolarHBondContact O-N 3.16Å; R1957-V1964 HydrophobicContact CB-CG2 3.91Å; K1962-V1964 PolarHBondContact O-N 2.88Å |
| 1965 | T | 60.5 | Low | 58.2 | Low | 9 Ų | 9 | 42.1 Ų | 42.1 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 161.9 | 175.8 | -167.8 | 0 | 0 | 0 | 0 | 109.5 | S1069 H1070 L1071 L1955 I1963 | S1069-T1965 WeakPolarHBondContact CA-OG1 3.41Å; S1069-T1965 PolarHBondContact OG-OG1 2.98Å; H1070-T1965 HydrophobicContact CB-CG2 3.73Å; H1070-T1965 PolarHBondContact N-OG1 3.14Å; H1070-T1965 VanDerWaalsContact N-OG1 3.08Å; L1071-T1965 HydrophobicContact CD1-CG2 3.97Å; L1071-T1965 HydrophobicContact CG-CG2 3.87Å; L1955-T1965 HydrophobicContact CB-CG2 3.76Å; L1955-T1965 HydrophobicContact CD2-CG2 4.08Å; L1955-T1965 PolarHBondContact N-O 3.47Å; I1963-T1965 WeakPolarHBondContact CG2-O 3.48Å |
| 1966 | F | 65.8 | Low | 58.5 | Low | 66 Ų | 66 | 42 Ų | 42 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 165.8 | 162.7 | 69.2 | -85.9 | 0 | 0 | 0 | 110.2 | N1019 I1953 Y1954 | N1019-F1966 HydrophobicContact CB-CE2 4.44Å; N1019-F1966 HydrophobicContact CB-CZ 4.3Å; N1019-F1966 WeakPolarHBondContact OD1-CZ 3.15Å; I1953-F1966 CarbonylContact O-C 3.56Å; I1953-F1966 WeakPolarHBondContact O-CA 3.45Å; I1953-F1966 WeakPolarHBondContact O-CB 3.42Å; Y1954-F1966 HydrophobicContact CD1-CB 3.66Å; Y1954-F1966 HydrophobicContact CD1-CG 4.48Å; Y1954-F1966 HydrophobicContact CE1-CB 3.97Å; Y1954-F1966 HydrophobicContact CE1-CG 4.41Å; Y1954-F1966 HydrophobicContact CG-CB 4.38Å |
| 1967 | I | 66.3 | Low | 59.1 | Low | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 153.8 | 172.3 | -158.4 | -175.9 | 0 | 0 | 0 | 109.3 | T1025 L1071 T1952 I1953 V1969 Y1998 | T1025-I1967 HydrophobicContact CG2-CD1 3.55Å; T1025-I1967 HydrophobicContact CG2-CG1 4.18Å; L1071-I1967 HydrophobicContact CD1-CB 4.02Å; L1071-I1967 HydrophobicContact CD1-CG2 3.71Å; T1952-I1967 VanDerWaalsContact CA-O 3.27Å; T1952-I1967 WeakPolarHBondContact CA-O 3.25Å; I1953-I1967 HydrophobicContact CB-CG2 4.34Å; I1953-I1967 PolarHBondContact N-O 3.18Å; I1953-I1967 PolarHBondContact O-N 3.01Å; I1953-I1967 VanDerWaalsContact O-N 3.1Å; I1967-V1969 HydrophobicContact CG2-CG2 4.29Å; I1967-Y1998 HydrophobicContact CD1-CD1 4.46Å; I1967-Y1998 HydrophobicContact CD1-CE1 3.53Å |
| 1968 | D | 67.6 | Low | 59.8 | Low | 49 Ų | 49 | 39.3 Ų | 39.3 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.1 | 162.1 | -164.1 | -15.6 | 0 | 0 | 0 | 109.1 | S1951 Q1970 | S1951-D1968 WeakPolarHBondContact CB-OD1 3.42Å; S1951-D1968 PolarHBondContact OG-OD1 3.31Å; D1968-Q1970 VanDerWaalsContact C-N 3.31Å; D1968-Q1970 PolarHBondContact OD1-N 2.79Å |
| 1969 | V | 64.2 | Low | 60.7 | Low | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | trans | -89.3 | -2.6 | 178 | -175.8 | 0 | 0 | 0 | 0 | 111 | S1951 I1953 I1967 H1971 I1973 I1988 I1996 Y1998 | S1951-V1969 WeakPolarHBondContact O-CB 3.38Å; S1951-V1969 VanDerWaalsContact O-CG2 3.29Å; S1951-V1969 WeakPolarHBondContact O-CG2 3.46Å; S1951-V1969 PolarHBondContact O-N 2.91Å; I1953-V1969 HydrophobicContact CD1-CG2 3.76Å; I1953-V1969 HydrophobicContact CG1-CG2 3.97Å; I1967-V1969 HydrophobicContact CG2-CG2 4.29Å; V1969-H1971 PolarHBondContact O-N 3.4Å; V1969-I1973 HydrophobicContact CG2-CD1 4.3Å; V1969-I1988 HydrophobicContact CG2-CD1 4.49Å; V1969-I1996 HydrophobicContact CG1-CD1 3.55Å; V1969-I1996 HydrophobicContact CG1-CG2 4.41Å; V1969-Y1998 HydrophobicContact CG2-CE2 4.22Å | ||
| 1970 | Q | 65.4 | Low | 61.2 | Low | 70 Ų | 70 | 38.3 Ų | 38.3 | 33% | 0.327 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 63.3 | -18.9 | -178.2 | -53.7 | 173.7 | 6.7 | 0 | 0 | 114.9 | E1026 Y1030 D1968 | E1026-Q1970 PolarHBondContact OE2-NE2 2.96Å; Y1030-Q1970 PolarHBondContact OH-NE2 2.75Å; Y1030-Q1970 PolarHBondContact OH-OE1 3.13Å; Y1030-Q1970 VanDerWaalsContact OH-OE1 3.12Å; D1968-Q1970 VanDerWaalsContact C-N 3.31Å; D1968-Q1970 PolarHBondContact OD1-N 2.79Å |
| 1971 | H | 64.1 | Low | 61.9 | Low | 29 Ų | 29 | 38.7 Ų | 38.7 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -114.7 | 151.2 | 175.9 | -66.6 | -85.4 | 0 | 0 | 0 | 111.3 | S1951 V1969 T1990 D1992 Y1994 | S1951-H1971 WeakPolarHBondContact CA-O 3.44Å; S1951-H1971 VanDerWaalsContact CB-O 3.26Å; S1951-H1971 WeakPolarHBondContact CB-O 3.2Å; V1969-H1971 PolarHBondContact O-N 3.4Å; H1971-T1990 HydrophobicContact CB-CG2 3.82Å; H1971-D1992 IonicContact CE1-OD2 3.83Å; H1971-D1992 IonicContact CG-OD2 3.64Å; H1971-D1992 IonicContact ND1-OD2 3.68Å; H1971-D1992 PolarHBondContact ND1-OD2 3.22Å; H1971-Y1994 AromaticContact CE1-CD2 3.9Å; H1971-Y1994 AromaticContact CE1-CE2 3.67Å |
| 1972 | T | 63.3 | Low | 62.7 | Low | 55 Ų | 55 | 39.5 Ų | 39.5 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | trans | -74.4 | 131.3 | 178.5 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | T1990 L1991 | T1972-T1990 CarbonylContact O-C 3.45Å; T1972-T1990 VanDerWaalsContact O-CA 3.25Å; T1972-T1990 WeakPolarHBondContact O-CA 3.35Å; T1972-T1990 WeakPolarHBondContact O-CB 3.48Å; T1972-L1991 HydrophobicContact CG2-CB 4.25Å; T1972-L1991 HydrophobicContact CG2-CD2 4.28Å; T1972-L1991 PolarHBondContact O-N 3.01Å | ||
| 1973 | I | 67.9 | Low | 63.5 | Low | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.046 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.6 | -176.4 | -60.2 | 166.5 | 0 | 0 | 0 | 111 | H1950 I1953 V1969 I1976 I1988 | H1950-I1973 WeakPolarHBondContact O-CB 3.5Å; H1950-I1973 PolarHBondContact O-N 3.02Å; I1953-I1973 HydrophobicContact CD1-CD1 3.92Å; I1953-I1973 HydrophobicContact CG1-CD1 3.53Å; V1969-I1973 HydrophobicContact CG2-CD1 4.3Å; I1973-I1976 HydrophobicContact CG2-CD1 4.23Å; I1973-I1976 HydrophobicContact CG2-CG1 3.93Å; I1973-I1988 HydrophobicContact CB-CG2 4.46Å; I1973-I1988 HydrophobicContact CD1-CG2 4.49Å; I1973-I1988 HydrophobicContact CG1-CG2 3.9Å; I1973-I1988 HydrophobicContact CG2-CG2 4.02Å |
| 1974 | T | 68.1 | Low | 64.1 | Low | 15 Ų | 15 | 36.4 Ų | 36.4 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -37.2 | 174.3 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | P1577 I1578 K1934 H1936 G1989 L1991 | P1577-T1974 HydrophobicContact CB-CG2 4.16Å; I1578-T1974 WeakPolarHBondContact O-CB 3.34Å; I1578-T1974 PolarHBondContact O-OG1 3.32Å; K1934-T1974 PolarHBondContact NZ-O 3.33Å; H1936-T1974 PolarHBondContact NE2-O 2.77Å; T1974-G1989 PolarHBondContact N-O 3.28Å; T1974-G1989 PolarHBondContact OG1-O 3.04Å; T1974-L1991 HydrophobicContact CG2-CB 4.11Å; T1974-L1991 HydrophobicContact CG2-CD1 4.13Å |
| 1975 | T | 69 | Low | 64.4 | Low | 22 Ų | 22 | 35.8 Ų | 35.8 | 14% | 0.135 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 154.9 | -177.8 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | I1578 L1581 H1936 G1989 | I1578-T1975 HydrophobicContact CG2-CG2 3.75Å; L1581-T1975 HydrophobicContact CD1-CG2 4.05Å; L1581-T1975 HydrophobicContact CG-CG2 4.05Å; H1936-T1975 WeakPolarHBondContact NE2-CA 3.48Å; T1975-G1989 PolarHBondContact N-O 3.01Å; T1975-G1989 PolarHBondContact O-N 2.86Å |
| 1976 | I | 71 | Confident | 64.9 | Low | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.8 | 171.5 | -63.2 | 178.7 | 0 | 0 | 0 | 107.9 | H1936 Y1938 I1946 I1953 I1973 F1987 I1988 | H1936-I1976 HydrophobicContact CB-CB 3.85Å; H1936-I1976 HydrophobicContact CB-CD1 4.38Å; H1936-I1976 HydrophobicContact CB-CG1 4.29Å; Y1938-I1976 WeakPolarHBondContact CE2-O 3.3Å; Y1938-I1976 PolarHBondContact OH-O 3.43Å; I1946-I1976 HydrophobicContact CG2-CD1 4.48Å; I1953-I1976 HydrophobicContact CD1-CD1 4.02Å; I1953-I1976 HydrophobicContact CG1-CD1 4.37Å; I1973-I1976 HydrophobicContact CG2-CD1 4.23Å; I1973-I1976 HydrophobicContact CG2-CG1 3.93Å; I1976-F1987 CarbonylContact C-O 3.58Å; I1976-F1987 WeakPolarHBondContact CA-O 3.46Å; I1976-I1988 HydrophobicContact CD1-CG1 4.47Å; I1976-I1988 HydrophobicContact CG1-CG1 4.15Å; I1976-I1988 HydrophobicContact CG1-CG2 4.45Å |
| 1977 | S | 67.2 | Low | 65.3 | Low | 11 Ų | 11 | 33.7 Ų | 33.7 | 8% | 0.077 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 147.6 | 172.2 | -167.8 | 0 | 0 | 0 | 0 | 112.3 | F1987 | S1977-F1987 PolarHBondContact N-O 2.76Å; S1977-F1987 PolarHBondContact O-N 2.77Å |
| 1978 | K | 68.9 | Low | 65.6 | Low | 52 Ų | 52 | 33.6 Ų | 33.6 | 23% | 0.226 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.8 | 172.5 | -179.8 | -168.1 | 178.8 | -171.3 | 0 | 109.3 | Y1938 L1940 P1980 D1983 | Y1938-K1978 HydrophobicContact CD1-CB 4.09Å; Y1938-K1978 HydrophobicContact CE1-CB 4.28Å; Y1938-K1978 HydrophobicContact CG-CB 4.44Å; L1940-K1978 HydrophobicContact CD2-CD 3.76Å; L1940-K1978 HydrophobicContact CD2-CG 4.08Å; K1978-P1980 WeakPolarHBondContact O-CD 3.29Å; K1978-D1983 WeakPolarHBondContact CE-OD1 3.31Å; K1978-D1983 WeakPolarHBondContact CE-OD2 3.42Å; K1978-D1983 IonicContact NZ-OD1 3.25Å; K1978-D1983 PolarHBondContact NZ-OD1 2.85Å; K1978-D1983 IonicContact NZ-OD2 3.86Å; K1978-D1983 PolarHBondContact NZ-OD2 3.29Å |
| 1979 | N | 65 | Low | 65.7 | Low | 24 Ų | 24 | 31.2 Ų | 31.2 | 13% | 0.128 | 16% | 0.162 | C | C | . | . | trans | -66.2 | 121.8 | 171.9 | -179.1 | -4.2 | 0 | 0 | 0 | 111 | F1981 S1982 S1985 F1987 | N1979-F1981 PolarHBondContact O-N 3.06Å; N1979-F1981 VanDerWaalsContact O-N 3.14Å; N1979-F1981 PolarHBondContact OD1-N 2.91Å; N1979-S1982 CarbonylContact O-C 3.57Å; N1979-S1982 PolarHBondContact O-N 3.49Å; N1979-S1982 VanDerWaalsContact O-N 3.15Å; N1979-S1985 WeakPolarHBondContact CB-OG 3.32Å; N1979-S1985 PolarHBondContact N-O 3.21Å; N1979-S1985 PolarHBondContact ND2-OG 3.5Å; N1979-F1987 HydrophobicContact CB-CD2 4.31Å; N1979-F1987 HydrophobicContact CB-CE2 3.62Å; N1979-F1987 HydrophobicContact CB-CZ 4.27Å | ||
| 1980 | P | 55 | Low | 66.1 | Low | 44 Ų | 44 | 31.1 Ų | 31.1 | 29% | 0.286 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.7 | -179.9 | 28.3 | -37.5 | 0 | 0 | 0 | 113.8 | Y1583 K1978 | Y1583-P1980 HydrophobicContact CD1-CG 4.48Å; Y1583-P1980 HydrophobicContact CD2-CB 4.03Å; Y1583-P1980 HydrophobicContact CD2-CG 3.67Å; Y1583-P1980 HydrophobicContact CE2-CB 3.62Å; Y1583-P1980 HydrophobicContact CE2-CG 3.76Å; Y1583-P1980 HydrophobicContact CG-CG 4.07Å; K1978-P1980 WeakPolarHBondContact O-CD 3.29Å |
| 1981 | F | 56.1 | Low | 66.2 | Low | 111 Ų | 111 | 31.7 Ų | 31.7 | 49% | 0.487 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -9.3 | 178.1 | -54.6 | -71.1 | 0 | 0 | 0 | 113.7 | L1605 N1979 | L1605-F1981 HydrophobicContact CD1-CD2 4.41Å; L1605-F1981 HydrophobicContact CD1-CE2 3.92Å; N1979-F1981 PolarHBondContact O-N 3.06Å; N1979-F1981 VanDerWaalsContact O-N 3.14Å; N1979-F1981 PolarHBondContact OD1-N 2.91Å |
| 1982 | S | 59.1 | Low | 66.1 | Low | 45 Ų | 45 | 34 Ų | 34 | 32% | 0.315 | 18% | 0.18 | S | C | . | . | trans | -161.7 | 111.4 | 178 | -171 | 0 | 0 | 0 | 0 | 114 | N1979 R1984 S1985 | N1979-S1982 CarbonylContact O-C 3.57Å; N1979-S1982 PolarHBondContact O-N 3.49Å; N1979-S1982 VanDerWaalsContact O-N 3.15Å; S1982-R1984 PolarHBondContact O-N 3.39Å; S1982-S1985 PolarHBondContact O-N 2.9Å; S1982-S1985 VanDerWaalsContact O-N 3.1Å; S1982-S1985 PolarHBondContact O-OG 2.89Å | ||
| 1983 | D | 58 | Low | 66.1 | Low | 62 Ų | 62 | 31.4 Ų | 31.4 | 33% | 0.332 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -12.6 | 175.2 | -76 | 41.4 | 0 | 0 | 0 | 115.6 | N1941 K1978 | N1941-D1983 PolarHBondContact OD1-OD2 3.2Å; K1978-D1983 WeakPolarHBondContact CE-OD1 3.31Å; K1978-D1983 WeakPolarHBondContact CE-OD2 3.42Å; K1978-D1983 IonicContact NZ-OD1 3.25Å; K1978-D1983 PolarHBondContact NZ-OD1 2.85Å; K1978-D1983 IonicContact NZ-OD2 3.86Å; K1978-D1983 PolarHBondContact NZ-OD2 3.29Å |
| 1984 | R | 64.4 | Low | 66.1 | Low | 55 Ų | 55 | 33.1 Ų | 33.1 | 21% | 0.208 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 3.4 | -179.4 | -58.1 | -178.2 | 179.7 | -144.2 | -4.4 | 114.2 | S1982 Y1999 I2000 T2002 E2004 | S1982-R1984 PolarHBondContact O-N 3.39Å; R1984-Y1999 HydrophobicContact CB-CD2 4.36Å; R1984-Y1999 HydrophobicContact CB-CE2 3.81Å; R1984-Y1999 VanDerWaalsContact CD-OH 3.28Å; R1984-Y1999 WeakPolarHBondContact CD-OH 3.45Å; R1984-Y1999 PolarHBondContact NH1-OH 3.05Å; R1984-I2000 PolarHBondContact O-N 3.21Å; R1984-T2002 PolarHBondContact NE-OG1 3.2Å; R1984-T2002 PolarHBondContact NH1-O 2.78Å; R1984-T2002 PolarHBondContact NH1-OG1 2.7Å; R1984-T2002 PolarHBondContact NH2-O 2.73Å; R1984-T2002 PolarHBondContact NH2-OG1 2.8Å; R1984-E2004 IonicContact CZ-OE2 3.71Å; R1984-E2004 IonicContact NE-OE2 3.41Å; R1984-E2004 VanDerWaalsContact NH2-CD 3.31Å; R1984-E2004 IonicContact NH2-OE2 2.64Å; R1984-E2004 PolarHBondContact NH2-OE2 3.43Å |
| 1985 | S | 66.2 | Low | 66.4 | Low | 16 Ų | 16 | 33.2 Ų | 33.2 | 11% | 0.112 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.9 | -175.7 | 55.5 | 0 | 0 | 0 | 0 | 113 | N1979 S1982 | N1979-S1985 WeakPolarHBondContact CB-OG 3.32Å; N1979-S1985 PolarHBondContact N-O 3.21Å; N1979-S1985 PolarHBondContact ND2-OG 3.5Å; S1982-S1985 PolarHBondContact O-N 2.9Å; S1982-S1985 VanDerWaalsContact O-N 3.1Å; S1982-S1985 PolarHBondContact O-OG 2.89Å |
| 1986 | L | 71.1 | Confident | 66.4 | Low | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 137.2 | -173.5 | -57.8 | 179.4 | 0 | 0 | 0 | 111 | L1940 I1946 S1997 Y1998 I2000 | L1940-L1986 HydrophobicContact CD1-CD2 4.44Å; I1946-L1986 HydrophobicContact CD1-CD1 3.61Å; I1946-L1986 HydrophobicContact CD1-CD2 3.48Å; I1946-L1986 VanDerWaalsContact CD1-CD2 3.48Å; I1946-L1986 HydrophobicContact CD1-CG 4.17Å; I1946-L1986 HydrophobicContact CG1-CD1 4.36Å; L1986-S1997 WeakPolarHBondContact O-CA 3.33Å; L1986-Y1998 PolarHBondContact N-O 2.81Å; L1986-Y1998 PolarHBondContact O-N 3.39Å; L1986-I2000 HydrophobicContact CD1-CD1 4.01Å; L1986-I2000 HydrophobicContact CD1-CG1 4.29Å; L1986-I2000 HydrophobicContact CD2-CD1 4.32Å; L1986-I2000 HydrophobicContact CG-CD1 4.09Å; L1986-I2000 HydrophobicContact CG-CG1 4.4Å |
| 1987 | F | 74.2 | Confident | 66.4 | Low | 25 Ų | 25 | 33.8 Ų | 33.8 | 11% | 0.11 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.5 | 169.3 | -60.5 | -64.8 | 0 | 0 | 0 | 109.8 | L1581 L1605 I1976 S1977 N1979 S1997 | L1581-F1987 HydrophobicContact CD1-CB 4.41Å; L1605-F1987 HydrophobicContact CD2-CE1 4.34Å; L1605-F1987 HydrophobicContact CD2-CE2 3.72Å; L1605-F1987 HydrophobicContact CD2-CZ 3.56Å; I1976-F1987 CarbonylContact C-O 3.58Å; I1976-F1987 WeakPolarHBondContact CA-O 3.46Å; S1977-F1987 PolarHBondContact N-O 2.76Å; S1977-F1987 PolarHBondContact O-N 2.77Å; N1979-F1987 HydrophobicContact CB-CD2 4.31Å; N1979-F1987 HydrophobicContact CB-CE2 3.62Å; N1979-F1987 HydrophobicContact CB-CZ 4.27Å; F1987-S1997 WeakPolarHBondContact CD1-OG 3.13Å |
| 1988 | I | 72.2 | Confident | 66.5 | Low | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 119.3 | -179.2 | -60.4 | 150.7 | 0 | 0 | 0 | 108.2 | I1953 V1969 I1973 I1976 I1995 I1996 Y1998 | I1953-I1988 HydrophobicContact CD1-CD1 3.29Å; I1953-I1988 HydrophobicContact CD1-CG1 3.78Å; V1969-I1988 HydrophobicContact CG2-CD1 4.49Å; I1973-I1988 HydrophobicContact CB-CG2 4.46Å; I1973-I1988 HydrophobicContact CD1-CG2 4.49Å; I1973-I1988 HydrophobicContact CG1-CG2 3.9Å; I1973-I1988 HydrophobicContact CG2-CG2 4.02Å; I1976-I1988 HydrophobicContact CD1-CG1 4.47Å; I1976-I1988 HydrophobicContact CG1-CG1 4.15Å; I1976-I1988 HydrophobicContact CG1-CG2 4.45Å; I1988-I1995 WeakPolarHBondContact O-CA 3.21Å; I1988-I1996 HydrophobicContact CB-CB 4.48Å; I1988-I1996 PolarHBondContact N-O 2.97Å; I1988-I1996 PolarHBondContact O-N 3.23Å; I1988-Y1998 HydrophobicContact CD1-CD2 3.37Å; I1988-Y1998 HydrophobicContact CD1-CE2 3.42Å; I1988-Y1998 VanDerWaalsContact CD1-CE2 3.42Å |
| 1989 | G | 69.5 | Low | 66.5 | Low | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 137.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T1974 T1975 | T1974-G1989 PolarHBondContact N-O 3.28Å; T1974-G1989 PolarHBondContact OG1-O 3.04Å; T1975-G1989 PolarHBondContact N-O 3.01Å; T1975-G1989 PolarHBondContact O-N 2.86Å |
| 1990 | T | 72.8 | Confident | 66.5 | Low | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 162.8 | -178.6 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | H1971 T1972 D1992 G1993 Y1994 I1996 | H1971-T1990 HydrophobicContact CB-CG2 3.82Å; T1972-T1990 CarbonylContact O-C 3.45Å; T1972-T1990 VanDerWaalsContact O-CA 3.25Å; T1972-T1990 WeakPolarHBondContact O-CA 3.35Å; T1972-T1990 WeakPolarHBondContact O-CB 3.48Å; T1990-D1992 VanDerWaalsContact C-N 3.25Å; T1990-D1992 PolarHBondContact O-N 3.18Å; T1990-G1993 PolarHBondContact O-N 3.27Å; T1990-Y1994 PolarHBondContact N-O 2.97Å; T1990-Y1994 WeakPolarHBondContact OG1-CA 3.47Å; T1990-Y1994 WeakPolarHBondContact OG1-CB 3.47Å; T1990-Y1994 PolarHBondContact OG1-N 2.94Å; T1990-Y1994 PolarHBondContact OG1-O 3.29Å; T1990-I1996 HydrophobicContact CG2-CD1 3.89Å; T1990-I1996 HydrophobicContact CG2-CG1 4.41Å |
| 1991 | L | 67.7 | Low | 66.7 | Low | 83 Ų | 83 | 34 Ų | 34 | 44% | 0.435 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -35.5 | 174.9 | -170.2 | 71.7 | 0 | 0 | 0 | 111.4 | P1577 T1972 T1974 G1993 | P1577-L1991 HydrophobicContact CB-CD1 4.09Å; P1577-L1991 HydrophobicContact CG-CD1 3.86Å; T1972-L1991 HydrophobicContact CG2-CB 4.25Å; T1972-L1991 HydrophobicContact CG2-CD2 4.28Å; T1972-L1991 PolarHBondContact O-N 3.01Å; T1974-L1991 HydrophobicContact CG2-CB 4.11Å; T1974-L1991 HydrophobicContact CG2-CD1 4.13Å; L1991-G1993 PolarHBondContact O-N 2.84Å |
| 1992 | D | 60.9 | Low | 66.5 | Low | 77 Ų | 77 | 30.6 Ų | 30.6 | 41% | 0.412 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 6 | -177.8 | -47.6 | -45.8 | 0 | 0 | 0 | 113 | C1573 H1971 T1990 Y1994 | C1573-D1992 PolarHBondContact SG-O 2.88Å; C1573-D1992 VanDerWaalsContact SG-O 3.34Å; H1971-D1992 IonicContact CE1-OD2 3.83Å; H1971-D1992 IonicContact CG-OD2 3.64Å; H1971-D1992 IonicContact ND1-OD2 3.68Å; H1971-D1992 PolarHBondContact ND1-OD2 3.22Å; T1990-D1992 VanDerWaalsContact C-N 3.25Å; T1990-D1992 PolarHBondContact O-N 3.18Å; D1992-Y1994 HydrophobicContact CB-CD2 3.95Å; D1992-Y1994 HydrophobicContact CB-CE2 4.03Å; D1992-Y1994 PolarHBondContact O-N 3.15Å |
| 1993 | G | 62.8 | Low | 65.8 | Low | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 83.8 | 3.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | C1573 L1574 T1990 L1991 | C1573-G1993 WeakPolarHBondContact CA-O 3.13Å; L1574-G1993 PolarHBondContact N-O 3.45Å; T1990-G1993 PolarHBondContact O-N 3.27Å; L1991-G1993 PolarHBondContact O-N 2.84Å |
| 1994 | Y | 69.6 | Low | 64.7 | Low | 46 Ų | 46 | 34.8 Ų | 34.8 | 18% | 0.18 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -77.9 | 152.5 | 171.2 | -58.8 | -74.7 | 0 | 0 | 0 | 112.3 | I1571 C1573 H1971 T1990 D1992 | I1571-Y1994 HydrophobicContact CB-CD1 4.29Å; I1571-Y1994 HydrophobicContact CG2-CD1 4.22Å; C1573-Y1994 HydrophobicContact CB-CD1 3.52Å; C1573-Y1994 HydrophobicContact CB-CE1 3.54Å; C1573-Y1994 HydrophobicContact CB-CG 4.05Å; H1971-Y1994 AromaticContact CE1-CD2 3.9Å; H1971-Y1994 AromaticContact CE1-CE2 3.67Å; T1990-Y1994 PolarHBondContact N-O 2.97Å; T1990-Y1994 WeakPolarHBondContact OG1-CA 3.47Å; T1990-Y1994 WeakPolarHBondContact OG1-CB 3.47Å; T1990-Y1994 PolarHBondContact OG1-N 2.94Å; T1990-Y1994 PolarHBondContact OG1-O 3.29Å; D1992-Y1994 HydrophobicContact CB-CD2 3.95Å; D1992-Y1994 HydrophobicContact CB-CE2 4.03Å; D1992-Y1994 PolarHBondContact O-N 3.15Å |
| 1995 | I | 72.5 | Confident | 63.1 | Low | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.087 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.4 | 163.6 | -60.1 | 178.4 | 0 | 0 | 0 | 108.6 | I1578 L1581 L1590 V1592 F1603 I1988 | I1578-I1995 HydrophobicContact CD1-CD1 4.2Å; I1578-I1995 HydrophobicContact CD1-CG1 3.53Å; L1581-I1995 HydrophobicContact CD2-CD1 4.44Å; L1590-I1995 HydrophobicContact CD2-CD1 4.27Å; V1592-I1995 HydrophobicContact CG2-CD1 3.97Å; F1603-I1995 HydrophobicContact CD1-CD1 4.16Å; F1603-I1995 HydrophobicContact CD2-CD1 3.85Å; F1603-I1995 HydrophobicContact CE1-CD1 3.98Å; F1603-I1995 HydrophobicContact CE2-CD1 3.66Å; F1603-I1995 HydrophobicContact CG-CD1 4.1Å; F1603-I1995 HydrophobicContact CZ-CD1 3.72Å; F1603-I1995 HydrophobicContact CZ-CG1 4.31Å; I1988-I1995 WeakPolarHBondContact O-CA 3.21Å |
| 1996 | I | 70.9 | Confident | 61.3 | Low | 17 Ų | 17 | 45.4 Ų | 45.4 | 9% | 0.087 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 143.8 | -178.7 | -59.3 | 171.8 | 0 | 0 | 0 | 109.2 | V1969 I1988 T1990 Y1998 | V1969-I1996 HydrophobicContact CG1-CD1 3.55Å; V1969-I1996 HydrophobicContact CG1-CG2 4.41Å; I1988-I1996 HydrophobicContact CB-CB 4.48Å; I1988-I1996 PolarHBondContact N-O 2.97Å; I1988-I1996 PolarHBondContact O-N 3.23Å; T1990-I1996 HydrophobicContact CG2-CD1 3.89Å; T1990-I1996 HydrophobicContact CG2-CG1 4.41Å; I1996-Y1998 HydrophobicContact CG2-CD2 4.24Å; I1996-Y1998 HydrophobicContact CG2-CE2 3.57Å |
| 1997 | S | 70.2 | Confident | 59.2 | Low | 19 Ų | 19 | 53.1 Ų | 53.1 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.5 | -173.1 | -56.9 | 0 | 0 | 0 | 0 | 112.6 | L1074 L1986 F1987 | L1074-S1997 PolarHBondContact N-O 3.03Å; L1986-S1997 WeakPolarHBondContact O-CA 3.33Å; F1987-S1997 WeakPolarHBondContact CD1-OG 3.13Å |
| 1998 | Y | 68.8 | Low | 57 | Low | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 153.4 | 177.2 | -68.1 | -88.9 | 0 | 0 | 0 | 112.1 | P1073 I1967 V1969 L1986 I1988 I1996 | P1073-Y1998 HydrophobicContact CB-CE1 4.23Å; I1967-Y1998 HydrophobicContact CD1-CD1 4.46Å; I1967-Y1998 HydrophobicContact CD1-CE1 3.53Å; V1969-Y1998 HydrophobicContact CG2-CE2 4.22Å; L1986-Y1998 PolarHBondContact N-O 2.81Å; L1986-Y1998 PolarHBondContact O-N 3.39Å; I1988-Y1998 HydrophobicContact CD1-CD2 3.37Å; I1988-Y1998 HydrophobicContact CD1-CE2 3.42Å; I1988-Y1998 VanDerWaalsContact CD1-CE2 3.42Å; I1996-Y1998 HydrophobicContact CG2-CD2 4.24Å; I1996-Y1998 HydrophobicContact CG2-CE2 3.57Å |
| 1999 | Y | 69.1 | Low | 55 | Low | 83 Ų | 83 | 66.8 Ų | 66.8 | 33% | 0.325 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.9 | 169.9 | -173 | -95.8 | 0 | 0 | 0 | 111.1 | L1072 R1984 | L1072-Y1999 PolarHBondContact N-O 3.09Å; L1072-Y1999 PolarHBondContact O-N 3.21Å; R1984-Y1999 HydrophobicContact CB-CD2 4.36Å; R1984-Y1999 HydrophobicContact CB-CE2 3.81Å; R1984-Y1999 VanDerWaalsContact CD-OH 3.28Å; R1984-Y1999 WeakPolarHBondContact CD-OH 3.45Å; R1984-Y1999 PolarHBondContact NH1-OH 3.05Å |
| 2000 | I | 66.2 | Low | 53.1 | Low | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.015 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 115.5 | 174.4 | -48.6 | 174.6 | 0 | 0 | 0 | 108.6 | L1071 L1940 I1946 L1955 R1984 L1986 T2002 | L1071-I2000 HydrophobicContact CD2-CG1 4.49Å; L1940-I2000 HydrophobicContact CD1-CD1 3.53Å; I1946-I2000 HydrophobicContact CD1-CD1 4.44Å; L1955-I2000 HydrophobicContact CD1-CD1 4.41Å; L1955-I2000 HydrophobicContact CD2-CG2 4.04Å; R1984-I2000 PolarHBondContact O-N 3.21Å; L1986-I2000 HydrophobicContact CD1-CD1 4.01Å; L1986-I2000 HydrophobicContact CD1-CG1 4.29Å; L1986-I2000 HydrophobicContact CD2-CD1 4.32Å; L1986-I2000 HydrophobicContact CG-CD1 4.09Å; L1986-I2000 HydrophobicContact CG-CG1 4.4Å; I2000-T2002 HydrophobicContact CG2-CG2 4.02Å; I2000-T2002 PolarHBondContact O-N 2.93Å |
| 2001 | A | 58.7 | Low | 50.9 | Low | 47 Ų | 47 | 79.8 Ų | 79.8 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | trans | -75.1 | 110.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 2002 | T | 51.7 | Low | 49.1 | Very low | 38 Ų | 38 | 84 Ų | 84 | 23% | 0.233 | 46% | 0.455 | C | S | . | . | trans | -125.8 | 143.9 | 172 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | L1944 R1984 I2000 | L1944-T2002 HydrophobicContact CD1-CG2 4.2Å; R1984-T2002 PolarHBondContact NE-OG1 3.2Å; R1984-T2002 PolarHBondContact NH1-O 2.78Å; R1984-T2002 PolarHBondContact NH1-OG1 2.7Å; R1984-T2002 PolarHBondContact NH2-O 2.73Å; R1984-T2002 PolarHBondContact NH2-OG1 2.8Å; I2000-T2002 HydrophobicContact CG2-CG2 4.02Å; I2000-T2002 PolarHBondContact O-N 2.93Å | ||
| 2003 | D | 44.4 | Very low | 47.7 | Very low | 97 Ų | 97 | 87.1 Ų | 87.1 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | trans | -102 | 119.1 | -178.1 | -150.5 | -21.6 | 0 | 0 | 0 | 109.8 | L2015 | D2003-L2015 HydrophobicContact CB-CD2 3.8Š| ||
| 2004 | E | 35 | Very low | 46.1 | Very low | 98 Ų | 98 | 96 Ų | 96 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | trans | -144.1 | 91 | -172.1 | -68.6 | 178.5 | 161 | 0 | 0 | 110.2 | N1941 R1984 | N1941-E2004 PolarHBondContact ND2-OE1 3.27Å; R1984-E2004 IonicContact CZ-OE2 3.71Å; R1984-E2004 IonicContact NE-OE2 3.41Å; R1984-E2004 VanDerWaalsContact NH2-CD 3.31Å; R1984-E2004 IonicContact NH2-OE2 2.64Å; R1984-E2004 PolarHBondContact NH2-OE2 3.43Å | ||
| 2005 | N | 31.1 | Very low | 44.5 | Very low | 151 Ų | 151 | 98.3 Ų | 98.3 | 81% | 0.807 | 53% | 0.534 | S | S | * | . | trans | -162.4 | 148.9 | 159.5 | -111 | -59.9 | 0 | 0 | 0 | 114 | ||||
| 2006 | L | 28.3 | Very low | 42.3 | Very low | 144 Ų | 144 | 103.7 Ų | 103.7 | 75% | 0.754 | 57% | 0.567 | S | S | * | * | trans | 70.2 | 70.5 | 159.2 | -62.1 | 167.3 | 0 | 0 | 0 | 120.4 | S2008 | L2006-S2008 PolarHBondContact O-N 3.21Š| ||
| 2007 | N | 26.9 | Very low | 40.2 | Very low | 167 Ų | 167 | 108.4 Ų | 108.4 | 89% | 0.893 | 59% | 0.592 | S | S | * | * | 25.9 | 79.1 | 120 | -66.3 | -18.7 | 0 | 0 | 0 | 118.7 | |||||
| 2008 | S | 28.3 | Very low | 38.1 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | trans | -155.2 | 173.6 | 148.8 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | L2006 | L2006-S2008 PolarHBondContact O-N 3.21Š| ||
| 2009 | K | 29.6 | Very low | 36 | Very low | 196 Ų | 196 | 123.6 Ų | 123.6 | 85% | 0.852 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -87.5 | 153 | -170.2 | -64.3 | 174.8 | -179.3 | 175.4 | 0 | 112.1 | ||
| 2010 | T | 30.2 | Very low | 34.1 | Very low | 141 Ų | 141 | 124 Ų | 124 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 79.8 | 152.7 | -177.5 | 71.5 | 0 | 0 | 0 | 0 | 114.3 | ||
| 2011 | T | 26.5 | Very low | 32.2 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | trans | -125 | 96 | -148.8 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 2012 | D | 28.6 | Very low | 30.7 | Very low | 171 Ų | 171 | 136 Ų | 136 | 91% | 0.914 | 73% | 0.73 | S | S | * | * | trans | -154.5 | 138.9 | 157.3 | -90.9 | -47.7 | 0 | 0 | 0 | 108.3 | ||||
| 2013 | T | 32.1 | Very low | 29.4 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | -126.9 | 134.9 | -177 | 39.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2014 | Q | 30.1 | Very low | 28.6 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 88% | 0.879 | 76% | 0.763 | S | S | * | * | trans | -127.4 | 136.1 | 178 | -70.3 | -173.7 | -23 | 0 | 0 | 109.9 | ||||
| 2015 | L | 34.5 | Very low | 28.1 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 49% | 0.487 | 78% | 0.776 | S | S | . | * | trans | -91.9 | 134.7 | -169.8 | -73 | 152.1 | 0 | 0 | 0 | 112.7 | D2003 | D2003-L2015 HydrophobicContact CB-CD2 3.8Š| ||
| 2016 | V | 26.1 | Very low | 27.9 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -142.4 | 129.7 | 164.3 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2017 | L | 27.6 | Very low | 27.7 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 61% | 0.607 | 78% | 0.776 | S | S | * | * | trans | -84.3 | 143.1 | -179.5 | -124.6 | 152.4 | 0 | 0 | 0 | 112.1 | V1066 | V1066-L2017 HydrophobicContact CG2-CD1 3.61Š| ||
| 2018 | K | 26.1 | Very low | 27.6 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -123.9 | 155.5 | 166.4 | -98.3 | -173.4 | 174.7 | -178.5 | 0 | 110.1 | A2020 | K2018-A2020 PolarHBondContact O-N 3.28Å; K2018-A2020 VanDerWaalsContact O-N 3.12Å | ||
| 2019 | E | 25.4 | Very low | 27.4 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | -53.3 | 114.3 | -172.6 | -67 | 179.9 | 103.2 | 0 | 0 | 113.3 | H2021 | E2019-H2021 VanDerWaalsContact C-N 3.26Å; E2019-H2021 PolarHBondContact O-N 3.47Å | ||
| 2020 | A | 28.7 | Very low | 27.1 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -76.7 | 75.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | K2018 L2022 | K2018-A2020 PolarHBondContact O-N 3.28Å; K2018-A2020 VanDerWaalsContact O-N 3.12Å; A2020-L2022 PolarHBondContact O-N 2.77Å | ||
| 2021 | H | 26 | Very low | 26.9 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 65% | 0.648 | 77% | 0.765 | S | S | * | * | trans | -63.5 | 99.8 | 166.1 | -67.3 | -48.1 | 0 | 0 | 0 | 109.7 | E2019 N2023 | E2019-H2021 VanDerWaalsContact C-N 3.26Å; E2019-H2021 PolarHBondContact O-N 3.47Å; H2021-N2023 PolarHBondContact O-N 2.74Å | ||
| 2022 | L | 27.8 | Very low | 26.8 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -71.8 | 62.2 | 165.2 | -78.1 | 170.2 | 0 | 0 | 0 | 110.5 | A2020 | A2020-L2022 PolarHBondContact O-N 2.77Š| ||
| 2023 | N | 24.9 | Very low | 26.6 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 68% | 0.684 | 76% | 0.758 | S | S | * | * | trans | -142.1 | 38.6 | -178.1 | -160.7 | 4.3 | 0 | 0 | 0 | 111 | H2021 N2025 | H2021-N2023 PolarHBondContact O-N 2.74Å; N2023-N2025 PolarHBondContact O-N 3.17Å; N2023-N2025 VanDerWaalsContact O-N 3.15Å | ||
| 2024 | T | 27.2 | Very low | 26.2 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -82.2 | 87.6 | 178.3 | 50.8 | 0 | 0 | 0 | 0 | 110.8 | S2026 | T2024-S2026 PolarHBondContact O-N 2.83Å; T2024-S2026 VanDerWaalsContact O-N 3.1Å | ||
| 2025 | N | 24 | Very low | 26 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -60.3 | 108.5 | 162.9 | -91.1 | -71.8 | 0 | 0 | 0 | 110.1 | N2023 | N2023-N2025 PolarHBondContact O-N 3.17Å; N2023-N2025 VanDerWaalsContact O-N 3.15Å | ||
| 2026 | S | 26.2 | Very low | 25.5 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -121.4 | 55.2 | 165.6 | 70.5 | 0 | 0 | 0 | 0 | 111.3 | T2024 | T2024-S2026 PolarHBondContact O-N 2.83Å; T2024-S2026 VanDerWaalsContact O-N 3.1Å | ||
| 2027 | K | 23.9 | Very low | 25.5 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | trans | -69 | 156.1 | 145.9 | -72.3 | -178.6 | 176 | 178.2 | 0 | 107.7 | ||||
| 2028 | V | 24.9 | Very low | 25.3 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | 94.7 | 115.1 | -169.4 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2029 | T | 25.8 | Very low | 25.2 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | cis | -155.7 | 150.9 | -9.6 | 12.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2030 | E | 23.1 | Very low | 25.2 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | -78.5 | 163.1 | 154.7 | -66.9 | -177.6 | 117.2 | 0 | 0 | 110.8 | ||||
| 2031 | S | 24.9 | Very low | 25 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 84.6 | 148.9 | 160.1 | 79.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2032 | T | 24.5 | Very low | 25 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 50.2 | 92 | 162.3 | 57.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 2033 | G | 24.2 | Very low | 25 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | 60.9 | 134.1 | 92 | 0 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 2034 | Q | 24.8 | Very low | 25 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | 74.1 | 113 | 153.9 | -70.3 | -175.8 | -15.3 | 0 | 0 | 120.9 | ||||
| 2035 | H | 25.2 | Very low | 24.9 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | trans | 75.7 | 137.5 | 135.8 | -77.3 | -66.9 | 0 | 0 | 0 | 123.3 | ||||
| 2036 | L | 24.9 | Very low | 24.9 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | trans | 76.8 | 96.9 | 143.6 | -69.3 | 164.8 | 0 | 0 | 0 | 121.4 | ||||
| 2037 | N | 24.6 | Very low | 24.9 | Very low | 123 Ų | 123 | 139.2 Ų | 139.2 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | 63.5 | 127.4 | 111.2 | -75.4 | 8 | 0 | 0 | 0 | 123.8 | |||||
| 2038 | F | 23.6 | Very low | 25 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 74% | 0.737 | 74% | 0.735 | S | S | * | * | trans | 81.6 | 128.5 | 135.7 | -74.1 | -50 | 0 | 0 | 0 | 123.3 | ||||
| 2039 | H | 24.4 | Very low | 25 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | trans | 63.9 | 97.7 | 139.5 | -75.2 | -61 | 0 | 0 | 0 | 122.6 | ||||
| 2040 | S | 25.5 | Very low | 25 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | 35.9 | 129.2 | 114.5 | 62.7 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 2041 | T | 24.9 | Very low | 25.2 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 90% | 0.896 | 74% | 0.736 | S | S | * | * | trans | -154.1 | 159.9 | 134 | 11.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2042 | Q | 26.9 | Very low | 25.3 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -79.4 | 168.4 | 167.5 | -62 | 151.2 | -72.9 | 0 | 0 | 108.8 | ||||
| 2043 | D | 25.8 | Very low | 25.7 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 59% | 0.588 | 73% | 0.733 | S | S | * | * | -179.6 | 152 | 69.7 | -122.3 | -20.5 | 0 | 0 | 0 | 114.9 | |||||
| 2044 | K | 25.9 | Very low | 25.8 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 65% | 0.652 | 74% | 0.736 | S | S | * | * | trans | 59.2 | 117.7 | 139.2 | -73.4 | 159.9 | -166.8 | 147.1 | 0 | 125 | ||||
| 2045 | M | 24.2 | Very low | 26.1 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | 79.4 | 135.7 | 116.4 | -72.7 | 176.8 | 161.4 | 0 | 0 | 123 | |||||
| 2046 | N | 24.9 | Very low | 26.1 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | trans | 65.3 | 143.7 | 139 | -67.7 | 35.6 | 0 | 0 | 0 | 118.9 | ||||
| 2047 | D | 26.4 | Very low | 26.2 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | cis | -162.2 | 142.8 | 12.6 | -113.8 | -21.6 | 0 | 0 | 0 | 113.2 | ||||
| 2048 | I | 25.7 | Very low | 26.6 | Very low | 120 Ų | 120 | 153.5 Ų | 153.5 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | trans | 63.3 | 142 | 132.7 | -67.3 | 168.1 | 0 | 0 | 0 | 122.8 | ||||
| 2049 | K | 25.9 | Very low | 26.8 | Very low | 187 Ų | 187 | 150.7 Ų | 150.7 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 80.4 | 151.2 | 166.1 | -73.7 | 147.9 | -166.2 | 167.4 | 0 | 118.5 | ||||
| 2050 | Y | 25.5 | Very low | 26.8 | Very low | 210 Ų | 210 | 147.3 Ų | 147.3 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | cis | 178.1 | 165.3 | -34.5 | -119.5 | -75.7 | 0 | 0 | 0 | 105.8 | ||||
| 2051 | L | 26.9 | Very low | 26.8 | Very low | 154 Ų | 154 | 151 Ų | 151 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | 87.7 | 128.6 | -176.1 | -55.9 | 156.9 | 0 | 0 | 0 | 114.9 | ||||
| 2052 | D | 27.2 | Very low | 26.9 | Very low | 140 Ų | 140 | 152.2 Ų | 152.2 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | cis | -154 | 145.5 | -20.4 | -134.4 | 8.5 | 0 | 0 | 0 | 111.5 | ||||
| 2053 | P | 32.3 | Very low | 26.9 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | trans | -110.1 | 120.5 | -167.6 | 37.2 | -28.3 | 0 | 0 | 0 | 115.5 | ||||
| 2054 | I | 26.9 | Very low | 26.8 | Very low | 162 Ų | 162 | 153.1 Ų | 153.1 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | trans | -140 | 128.2 | 168.9 | -90.9 | 158.9 | 0 | 0 | 0 | 106.9 | ||||
| 2055 | I | 30.2 | Very low | 26.7 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | cis | -143.7 | 172.5 | -1.8 | -127.6 | 168.1 | 0 | 0 | 0 | 110.6 | ||||
| 2056 | R | 25.7 | Very low | 26.9 | Very low | 220 Ų | 220 | 150.1 Ų | 150.1 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | trans | -114.6 | 161 | 175.5 | -61.5 | 169.9 | 170.4 | 162 | -4.4 | 110.4 | ||||
| 2057 | Y | 27.2 | Very low | 27.2 | Very low | 229 Ų | 229 | 151.9 Ų | 151.9 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | -162.6 | 132.1 | 111.7 | -113.1 | -74.3 | 0 | 0 | 0 | 113.5 | |||||
| 2058 | L | 31.7 | Very low | 27.4 | Very low | 139 Ų | 139 | 155.2 Ų | 155.2 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | trans | -142.6 | 139.2 | 172.7 | -141 | 169.5 | 0 | 0 | 0 | 105 | ||||
| 2059 | P | 27.7 | Very low | 27.4 | Very low | 109 Ų | 109 | 158 Ų | 158 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | trans | -139.1 | 139.6 | 131.1 | 34.4 | -21.6 | 0 | 0 | 0 | 111.4 | ||||
| 2060 | S | 26 | Very low | 27.5 | Very low | 82 Ų | 82 | 156.8 Ų | 156.8 | 57% | 0.573 | 77% | 0.767 | S | S | * | * | cis | 72.8 | 107.6 | 24.5 | 95.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2061 | K | 24.4 | Very low | 27.5 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 169.1 | 166.1 | 117.7 | -91.7 | 164.5 | -176.7 | 179.3 | 0 | 113.1 | |||||
| 2062 | H | 28.1 | Very low | 27.7 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | trans | 72.7 | 99.9 | -176.3 | -54 | -74.1 | 0 | 0 | 0 | 113 | ||||
| 2063 | I | 25.4 | Very low | 27.6 | Very low | 144 Ų | 144 | 157 Ų | 157 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | cis | 64.3 | 101.1 | 28.3 | -46 | 174.2 | 0 | 0 | 0 | 113.8 | ||||
| 2064 | K | 23.8 | Very low | 27.4 | Very low | 156 Ų | 156 | 156.8 Ų | 156.8 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | -154.9 | 126.3 | 122.8 | -115.3 | -174.9 | 173.2 | -140.6 | 0 | 111.4 | E2066 | K2064-E2066 VanDerWaalsContact CD-OE2 3.28Å; K2064-E2066 WeakPolarHBondContact CD-OE2 3.43Å; K2064-E2066 VanDerWaalsContact CE-OE2 3.25Å; K2064-E2066 WeakPolarHBondContact CE-OE2 3.34Å; K2064-E2066 IonicContact NZ-OE1 2.79Å; K2064-E2066 IonicContact NZ-OE2 2.65Å; K2064-E2066 PolarHBondContact NZ-OE2 2.8Å; K2064-E2066 PolarHBondContact O-N 3.44Å | |||
| 2065 | P | 25.7 | Very low | 27.4 | Very low | 111 Ų | 111 | 152.1 Ų | 152.1 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | -94.3 | 54.4 | -178.8 | 38.2 | -35.5 | 0 | 0 | 0 | 112 | ||||
| 2066 | E | 27.7 | Very low | 27.4 | Very low | 129 Ų | 129 | 153 Ų | 153 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | trans | -121 | -19.4 | -170.5 | -72.2 | 179.1 | 152.2 | 0 | 0 | 115.3 | K2064 F2068 | K2064-E2066 VanDerWaalsContact CD-OE2 3.28Å; K2064-E2066 WeakPolarHBondContact CD-OE2 3.43Å; K2064-E2066 VanDerWaalsContact CE-OE2 3.25Å; K2064-E2066 WeakPolarHBondContact CE-OE2 3.34Å; K2064-E2066 IonicContact NZ-OE1 2.79Å; K2064-E2066 IonicContact NZ-OE2 2.65Å; K2064-E2066 PolarHBondContact NZ-OE2 2.8Å; K2064-E2066 PolarHBondContact O-N 3.44Å; E2066-F2068 PolarHBondContact O-N 2.7Å | ||
| 2067 | D | 31.9 | Very low | 27.3 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -72.7 | 7.2 | 173.1 | -61.2 | -41.2 | 0 | 0 | 0 | 113.4 | K2069 | D2067-K2069 PolarHBondContact O-N 3.34Š| ||
| 2068 | F | 28.8 | Very low | 27.3 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -79.6 | 58.6 | 178.4 | -132.3 | -75.6 | 0 | 0 | 0 | 111.9 | E2066 | E2066-F2068 PolarHBondContact O-N 2.7Š| ||
| 2069 | K | 27.1 | Very low | 27.1 | Very low | 180 Ų | 180 | 145 Ų | 145 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | 176 | 118.2 | 158.9 | -96 | 145 | -172.3 | 174.9 | 0 | 111.7 | D2067 | D2067-K2069 PolarHBondContact O-N 3.34Š| ||
| 2070 | L | 26.6 | Very low | 27 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | -155.6 | 109.4 | 112.8 | -134.4 | 70.4 | 0 | 0 | 0 | 113.4 | |||||
| 2071 | Y | 26.4 | Very low | 27.1 | Very low | 170 Ų | 170 | 155.4 Ų | 155.4 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | trans | 43.4 | 87.5 | 138.9 | -74.1 | -97.3 | 0 | 0 | 0 | 120.4 | H2073 | Y2071-H2073 PolarHBondContact O-N 3.33Š| ||
| 2072 | Q | 31.1 | Very low | 27.3 | Very low | 184 Ų | 184 | 151.5 Ų | 151.5 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | 9.3 | 103.6 | 97.4 | -175.8 | -176.3 | 29.4 | 0 | 0 | 115.7 | |||||
| 2073 | H | 25.8 | Very low | 27.3 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | trans | -158.8 | 145.5 | 155.9 | -113.9 | -73.1 | 0 | 0 | 0 | 111.9 | Y2071 | Y2071-H2073 PolarHBondContact O-N 3.33Š| ||
| 2074 | C | 26.9 | Very low | 27.3 | Very low | 111 Ų | 111 | 152.3 Ų | 152.3 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | trans | 51.3 | 105.3 | 161.4 | -55.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2075 | G | 27.6 | Very low | 27.5 | Very low | 65 Ų | 65 | 149.3 Ų | 149.3 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | cis | 92.1 | 46.2 | 11.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2076 | H | 28.8 | Very low | 27.6 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -108.3 | 119.8 | 152.2 | -78.8 | -71.6 | 0 | 0 | 0 | 108 | ||||
| 2077 | F | 25.7 | Very low | 27.5 | Very low | 197 Ų | 197 | 146.1 Ų | 146.1 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | 57.2 | 79.2 | 70 | -78.2 | -88 | 0 | 0 | 0 | 112.7 | |||||
| 2078 | G | 26.8 | Very low | 27.4 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | trans | -88.8 | -177.9 | 159 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2079 | E | 27.4 | Very low | 27.4 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 72% | 0.715 | 70% | 0.697 | S | S | * | * | trans | -124.5 | 119.2 | 164.3 | -79 | -148.1 | 118.1 | 0 | 0 | 107.7 | ||||
| 2080 | R | 25.5 | Very low | 27.4 | Very low | 182 Ų | 182 | 137 Ų | 137 | 69% | 0.687 | 69% | 0.693 | S | S | * | * | 76 | 117.8 | 77.7 | -78.5 | -179.1 | 178 | 164 | -7.4 | 113.4 | |||||
| 2081 | R | 27.1 | Very low | 27.4 | Very low | 229 Ų | 229 | 135.7 Ų | 135.7 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | trans | 65.9 | 165.1 | 144.3 | -58.6 | 171.9 | 168.9 | 176.1 | -5.9 | 113.3 | ||||
| 2082 | S | 28.2 | Very low | 27.5 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 62% | 0.622 | 69% | 0.686 | S | S | * | * | cis | -158.5 | 151.9 | 3.3 | 112.7 | 0 | 0 | 0 | 0 | 105 | ||||
| 2083 | R | 28.6 | Very low | 27.3 | Very low | 222 Ų | 222 | 130.6 Ų | 130.6 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | cis | -168.3 | 164.4 | 18.5 | -107 | 164 | -172.7 | 156.1 | -2.6 | 104.9 | ||||
| 2084 | T | 26.7 | Very low | 27.4 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 68% | 0.681 | 67% | 0.672 | S | S | * | * | cis | -137.1 | 151.9 | 2.2 | -20.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2085 | C | 26.5 | Very low | 27.4 | Very low | 92 Ų | 92 | 130.2 Ų | 130.2 | 62% | 0.622 | 67% | 0.667 | S | S | * | * | trans | 24.9 | 125 | 132 | -65.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 2086 | L | 27.9 | Very low | 27.4 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 63% | 0.628 | 67% | 0.666 | S | S | * | * | 56 | 113.1 | 71.8 | -69.4 | 164.8 | 0 | 0 | 0 | 109.9 | P1918 | P1918-L2086 CarbonylContact O-C 3.34Š| |||
| 2087 | L | 25.6 | Very low | 27.3 | Very low | 54 Ų | 54 | 131.9 Ų | 131.9 | 28% | 0.283 | 65% | 0.654 | S | S | . | * | cis | -135.6 | 108.2 | -3.2 | -47.8 | 89.1 | 0 | 0 | 0 | 106.6 | M1917 P1918 H1919 F1920 T1921 | M1917-L2087 CarbonylContact C-O 3.57Å; M1917-L2087 VanDerWaalsContact C-O 3.25Å; M1917-L2087 CarbonylContact O-C 3.58Å; M1917-L2087 VanDerWaalsContact O-C 3.3Å; P1918-L2087 VanDerWaalsContact C-C 3.5Å; P1918-L2087 CarbonylContact C-O 3.56Å; P1918-L2087 WeakPolarHBondContact CA-O 3.48Å; P1918-L2087 PolarHBondContact O-N 2.94Å; H1919-L2087 CarbonylContact C-O 3.26Å; H1919-L2087 WeakPolarHBondContact CA-O 3.41Å; H1919-L2087 PolarHBondContact N-O 3.01Å; F1920-L2087 PolarHBondContact N-O 2.64Å; F1920-L2087 WeakPolarHBondContact O-CB 3.13Å; F1920-L2087 WeakPolarHBondContact O-CD2 2.93Å; F1920-L2087 WeakPolarHBondContact O-CG 3.1Å; T1921-L2087 WeakPolarHBondContact OG1-CD2 3.45Å | ||
| 2088 | I | 31.2 | Very low | 27.4 | Very low | 64 Ų | 64 | 126 Ų | 126 | 33% | 0.328 | 64% | 0.635 | S | S | . | * | -114.5 | 0 | 90.8 | -138.6 | 154.6 | 0 | 0 | 0 | 110 | Y1899 M1917 F1920 T1921 V1922 | Y1899-I2088 HydrophobicContact CD1-CD1 3.55Å; Y1899-I2088 HydrophobicContact CD1-CG1 4.25Å; Y1899-I2088 HydrophobicContact CE1-CD1 3.69Å; M1917-I2088 HydrophobicContact CE-CD1 4.36Å; M1917-I2088 HydrophobicContact CE-CG2 3.85Å; M1917-I2088 HydrophobicContact CG-CB 4.14Å; M1917-I2088 HydrophobicContact CG-CD1 3.72Å; M1917-I2088 HydrophobicContact CG-CG2 3.75Å; M1917-I2088 VanDerWaalsContact O-CB 3.25Å; M1917-I2088 WeakPolarHBondContact O-CB 3.4Å; M1917-I2088 WeakPolarHBondContact O-CG2 3.25Å; M1917-I2088 PolarHBondContact O-N 3.43Å; F1920-I2088 HydrophobicContact CB-CD1 3.98Å; F1920-I2088 HydrophobicContact CB-CG1 4.06Å; F1920-I2088 HydrophobicContact CD2-CD1 4.12Å; T1921-I2088 CarbonylContact C-O 3.42Å; T1921-I2088 WeakPolarHBondContact CA-O 3.41Å; V1922-I2088 HydrophobicContact CB-CG1 4.18Å; V1922-I2088 HydrophobicContact CG1-CG1 3.99Å; V1922-I2088 HydrophobicContact CG2-CB 3.89Å; V1922-I2088 HydrophobicContact CG2-CG1 3.86Å; V1922-I2088 HydrophobicContact CG2-CG2 3.69Å; V1922-I2088 WeakPolarHBondContact CG2-OXT 3.28Å; V1922-I2088 PolarHBondContact N-O 3.5Å |
Retrieved 2,088 of 2,088 residues in 2372.9 ms
(Link to these results)