| 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 | 45.6 | Very low | 57.9 | Low | 183 Ų | 183 | 121 Ų | 121 | 90% | 0.901 | 59% | 0.586 | S | S | * | * | 0 | -54.5 | 0 | -131.8 | 174.8 | 166.6 | 0 | 0 | 112.5 | F3 I4 I5 | M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 2.88Å; M1-I4 PolarHBondContact O-N 2.86Å; M1-I4 VanDerWaalsContact O-N 3.1Å; M1-I5 WeakPolarHBondContact O-CG1 3.39Å; M1-I5 PolarHBondContact O-N 2.89Å | |||
| 2 | F | 47.4 | Very low | 57.1 | Low | 191 Ų | 191 | 116.8 Ų | 116.8 | 84% | 0.838 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57 | -39.3 | 173.5 | -100.5 | -88.9 | 0 | 0 | 0 | 114.3 | S6 | F2-S6 WeakPolarHBondContact O-CB 3.12Å; F2-S6 PolarHBondContact O-N 3.07Å |
| 3 | F | 56.4 | Low | 56.2 | Low | 183 Ų | 183 | 115.5 Ų | 115.5 | 80% | 0.803 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.7 | -32.9 | 174.6 | -83.4 | -83.2 | 0 | 0 | 0 | 113.6 | M1 Y7 | M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 2.88Å; F3-Y7 WeakPolarHBondContact O-CB 3.48Å; F3-Y7 PolarHBondContact O-N 2.95Å |
| 4 | I | 64.2 | Low | 55.3 | Low | 107 Ų | 107 | 116.6 Ų | 116.6 | 55% | 0.549 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -75.4 | -38.1 | 179.3 | -62.4 | 173.9 | 0 | 0 | 0 | 109.8 | M1 Y7 I8 | M1-I4 PolarHBondContact O-N 2.86Å; M1-I4 VanDerWaalsContact O-N 3.1Å; I4-Y7 PolarHBondContact O-N 3.34Å; I4-I8 HydrophobicContact CG2-CD1 3.69Å; I4-I8 HydrophobicContact CG2-CG1 4.33Å; I4-I8 VanDerWaalsContact O-CB 3.31Å; I4-I8 WeakPolarHBondContact O-CB 3.17Å; I4-I8 WeakPolarHBondContact O-CG1 3.21Å; I4-I8 PolarHBondContact O-N 2.84Å |
| 5 | I | 64.4 | Low | 54.4 | Low | 90 Ų | 90 | 118.1 Ų | 118.1 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.7 | -37.8 | 174.6 | -63 | 169.3 | 0 | 0 | 0 | 110.4 | M1 I8 I9 | M1-I5 WeakPolarHBondContact O-CG1 3.39Å; M1-I5 PolarHBondContact O-N 2.89Å; I5-I8 PolarHBondContact O-N 2.86Å; I5-I9 HydrophobicContact CG2-CD1 3.73Å; I5-I9 HydrophobicContact CG2-CG1 4.37Å; I5-I9 WeakPolarHBondContact O-CB 3.03Å; I5-I9 WeakPolarHBondContact O-CD1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.47Å; I5-I9 PolarHBondContact O-N 3.42Å |
| 6 | S | 62.7 | Low | 53 | Low | 64 Ų | 64 | 117.5 Ų | 117.5 | 45% | 0.448 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69 | -35.9 | 174.2 | -154.4 | 0 | 0 | 0 | 0 | 112.1 | F2 I10 | F2-S6 WeakPolarHBondContact O-CB 3.12Å; F2-S6 PolarHBondContact O-N 3.07Å; S6-I10 WeakPolarHBondContact O-CB 3.48Å; S6-I10 VanDerWaalsContact O-CD1 3.31Å; S6-I10 WeakPolarHBondContact O-CD1 3.25Å; S6-I10 WeakPolarHBondContact O-CG1 3.34Å; S6-I10 PolarHBondContact O-N 2.76Å |
| 7 | Y | 65.2 | Low | 51.8 | Low | 163 Ų | 163 | 118.1 Ų | 118.1 | 64% | 0.639 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.5 | -36.9 | 174.5 | -151.1 | -106.7 | 0 | 0 | 0 | 112.1 | F3 I4 I10 L11 | F3-Y7 WeakPolarHBondContact O-CB 3.48Å; F3-Y7 PolarHBondContact O-N 2.95Å; I4-Y7 PolarHBondContact O-N 3.34Å; Y7-I10 PolarHBondContact O-N 3.12Å; Y7-L11 HydrophobicContact CD1-CD1 3.27Å; Y7-L11 HydrophobicContact CE1-CD1 3.3Å; Y7-L11 HydrophobicContact CG-CD1 4.18Å; Y7-L11 VanDerWaalsContact O-CB 3.27Å; Y7-L11 WeakPolarHBondContact O-CB 3.38Å; Y7-L11 WeakPolarHBondContact O-CD1 3.48Å; Y7-L11 PolarHBondContact O-N 3.16Å |
| 8 | I | 64.6 | Low | 50.9 | Low | 103 Ų | 103 | 120.6 Ų | 120.6 | 53% | 0.528 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.6 | -34.1 | 174 | -69 | 169.5 | 0 | 0 | 0 | 111.2 | I4 I5 S12 | I4-I8 HydrophobicContact CG2-CD1 3.69Å; I4-I8 HydrophobicContact CG2-CG1 4.33Å; I4-I8 VanDerWaalsContact O-CB 3.31Å; I4-I8 WeakPolarHBondContact O-CB 3.17Å; I4-I8 WeakPolarHBondContact O-CG1 3.21Å; I4-I8 PolarHBondContact O-N 2.84Å; I5-I8 PolarHBondContact O-N 2.86Å; I8-S12 WeakPolarHBondContact O-CB 3.12Å; I8-S12 PolarHBondContact O-N 3.34Å; I8-S12 PolarHBondContact O-OG 2.78Å |
| 9 | I | 60.6 | Low | 50.3 | Low | 95 Ų | 95 | 119.1 Ų | 119.1 | 49% | 0.487 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71.1 | -36.4 | 172.5 | -68.1 | 167.7 | 0 | 0 | 0 | 110.7 | I5 S12 V13 | I5-I9 HydrophobicContact CG2-CD1 3.73Å; I5-I9 HydrophobicContact CG2-CG1 4.37Å; I5-I9 WeakPolarHBondContact O-CB 3.03Å; I5-I9 WeakPolarHBondContact O-CD1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.47Å; I5-I9 PolarHBondContact O-N 3.42Å; I9-S12 WeakPolarHBondContact CA-OG 3.32Å; I9-S12 PolarHBondContact O-OG 2.58Å; I9-V13 VanDerWaalsContact O-CB 3.26Å; I9-V13 WeakPolarHBondContact O-CB 3.18Å; I9-V13 WeakPolarHBondContact O-CG2 3.43Å; I9-V13 PolarHBondContact O-N 2.83Å |
| 10 | I | 57.1 | Low | 49.8 | Very low | 82 Ų | 82 | 116.5 Ų | 116.5 | 42% | 0.421 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70.3 | -37.1 | 174.2 | -68.9 | 164 | 0 | 0 | 0 | 110.9 | S6 Y7 V13 Q14 | S6-I10 WeakPolarHBondContact O-CB 3.48Å; S6-I10 VanDerWaalsContact O-CD1 3.31Å; S6-I10 WeakPolarHBondContact O-CD1 3.25Å; S6-I10 WeakPolarHBondContact O-CG1 3.34Å; S6-I10 PolarHBondContact O-N 2.76Å; Y7-I10 PolarHBondContact O-N 3.12Å; I10-V13 CarbonylContact O-C 3.39Å; I10-V13 PolarHBondContact O-N 3.26Å; I10-Q14 VanDerWaalsContact O-CB 3.24Å; I10-Q14 WeakPolarHBondContact O-CB 3.42Å; I10-Q14 VanDerWaalsContact O-CG 3.29Å; I10-Q14 WeakPolarHBondContact O-CG 3.19Å; I10-Q14 PolarHBondContact O-N 3.36Å |
| 11 | L | 48.8 | Very low | 50.3 | Low | 70 Ų | 70 | 115 Ų | 115 | 37% | 0.366 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -75.6 | -30.7 | 173.7 | -91.7 | 140.7 | 0 | 0 | 0 | 113.2 | Y7 V13 Q14 L15 | Y7-L11 HydrophobicContact CD1-CD1 3.27Å; Y7-L11 HydrophobicContact CE1-CD1 3.3Å; Y7-L11 HydrophobicContact CG-CD1 4.18Å; Y7-L11 VanDerWaalsContact O-CB 3.27Å; Y7-L11 WeakPolarHBondContact O-CB 3.38Å; Y7-L11 WeakPolarHBondContact O-CD1 3.48Å; Y7-L11 PolarHBondContact O-N 3.16Å; L11-V13 VanDerWaalsContact C-N 3.28Å; L11-Q14 CarbonylContact O-C 3.47Å; L11-Q14 PolarHBondContact O-N 2.79Å; L11-L15 HydrophobicContact CB-CD1 4.46Å; L11-L15 HydrophobicContact CD2-CD1 3.81Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 VanDerWaalsContact O-CD1 3.25Å; L11-L15 WeakPolarHBondContact O-CD1 3.32Å; L11-L15 PolarHBondContact O-N 2.97Å |
| 12 | S | 48.3 | Very low | 51.7 | Low | 71 Ų | 71 | 112.3 Ų | 112.3 | 50% | 0.497 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -78.3 | -15.3 | 171.9 | 71.5 | 0 | 0 | 0 | 0 | 112.4 | I8 I9 | I8-S12 WeakPolarHBondContact O-CB 3.12Å; I8-S12 PolarHBondContact O-N 3.34Å; I8-S12 PolarHBondContact O-OG 2.78Å; I9-S12 WeakPolarHBondContact CA-OG 3.32Å; I9-S12 PolarHBondContact O-OG 2.58Å |
| 13 | V | 45.7 | Very low | 53.6 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 60% | 0.6 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -93.6 | -12.8 | 168 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | I9 I10 L11 | I9-V13 VanDerWaalsContact O-CB 3.26Å; I9-V13 WeakPolarHBondContact O-CB 3.18Å; I9-V13 WeakPolarHBondContact O-CG2 3.43Å; I9-V13 PolarHBondContact O-N 2.83Å; I10-V13 CarbonylContact O-C 3.39Å; I10-V13 PolarHBondContact O-N 3.26Å; L11-V13 VanDerWaalsContact C-N 3.28Å |
| 14 | Q | 43.5 | Very low | 55.1 | Low | 132 Ų | 132 | 96.8 Ų | 96.8 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -106.8 | -6.5 | 175.4 | -76 | 175.6 | -32.5 | 0 | 0 | 114.7 | I10 L11 T16 | I10-Q14 VanDerWaalsContact O-CB 3.24Å; I10-Q14 WeakPolarHBondContact O-CB 3.42Å; I10-Q14 VanDerWaalsContact O-CG 3.29Å; I10-Q14 WeakPolarHBondContact O-CG 3.19Å; I10-Q14 PolarHBondContact O-N 3.36Å; L11-Q14 CarbonylContact O-C 3.47Å; L11-Q14 PolarHBondContact O-N 2.79Å; Q14-T16 VanDerWaalsContact C-N 3.34Å |
| 15 | L | 41.2 | Very low | 56.1 | Low | 139 Ų | 139 | 100 Ų | 100 | 73% | 0.728 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -92.1 | 12.1 | 167.8 | -96.4 | 102.6 | 0 | 0 | 0 | 114.1 | L11 | L11-L15 HydrophobicContact CB-CD1 4.46Å; L11-L15 HydrophobicContact CD2-CD1 3.81Å; L11-L15 WeakPolarHBondContact O-CB 3.35Å; L11-L15 VanDerWaalsContact O-CD1 3.25Å; L11-L15 WeakPolarHBondContact O-CD1 3.32Å; L11-L15 PolarHBondContact O-N 2.97Å |
| 16 | T | 32.9 | Very low | 57.3 | Low | 108 Ų | 108 | 106 Ų | 106 | 66% | 0.663 | 54% | 0.543 | S | S | * | . | trans | -124.2 | 58.5 | 163.9 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | Q14 | Q14-T16 VanDerWaalsContact C-N 3.34Š| ||
| 17 | L | 32.5 | Very low | 58.7 | Low | 127 Ų | 127 | 103.8 Ų | 103.8 | 67% | 0.665 | 53% | 0.528 | S | S | * | . | trans | -137.4 | 72.6 | 152.8 | -79 | 169.2 | 0 | 0 | 0 | 106.9 | T19 | L17-T19 HydrophobicContact CB-CG2 4.25Å; L17-T19 HydrophobicContact CD2-CG2 4.22Å; L17-T19 PolarHBondContact O-N 3.02Å | ||
| 18 | I | 35.2 | Very low | 59.9 | Low | 163 Ų | 163 | 99 Ų | 99 | 84% | 0.836 | 52% | 0.522 | S | S | * | . | -55.7 | 95.6 | 126.2 | -59 | 169.2 | 0 | 0 | 0 | 101.2 | S20 | I18-S20 PolarHBondContact O-N 3.01Š| |||
| 19 | T | 39 | Very low | 61.2 | Low | 93 Ų | 93 | 95.1 Ų | 95.1 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | trans | -58.1 | 104.8 | 164.4 | 47.2 | 0 | 0 | 0 | 0 | 101.7 | L17 E21 | L17-T19 HydrophobicContact CB-CG2 4.25Å; L17-T19 HydrophobicContact CD2-CG2 4.22Å; L17-T19 PolarHBondContact O-N 3.02Å; T19-E21 VanDerWaalsContact C-N 3.33Å; T19-E21 PolarHBondContact O-N 2.83Å | ||
| 20 | S | 41.8 | Very low | 62.5 | Low | 66 Ų | 66 | 96.9 Ų | 96.9 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | trans | -37.5 | 113 | 158.8 | 35.5 | 0 | 0 | 0 | 0 | 103.5 | I18 E22 | I18-S20 PolarHBondContact O-N 3.01Å; S20-E22 PolarHBondContact O-N 3.49Å; S20-E22 WeakPolarHBondContact OG-CG 3.49Å; S20-E22 PolarHBondContact OG-OE1 3.26Å | ||
| 21 | E | 59.8 | Low | 64 | Low | 87 Ų | 87 | 93.7 Ų | 93.7 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | trans | -62.7 | 82.8 | 177.6 | -90.5 | -163.2 | -175.1 | 0 | 0 | 104.5 | T19 P48 T49 I50 P52 | T19-E21 VanDerWaalsContact C-N 3.33Å; T19-E21 PolarHBondContact O-N 2.83Å; E21-P48 HydrophobicContact CB-CB 3.71Å; E21-P48 HydrophobicContact CG-CB 4.09Å; E21-P48 WeakPolarHBondContact OE2-CB 3.28Å; E21-T49 PolarHBondContact OE2-N 3.18Å; E21-I50 PolarHBondContact OE2-N 2.59Å; E21-P52 WeakPolarHBondContact O-CB 3.37Å; E21-P52 WeakPolarHBondContact O-CG 3.39Å | ||
| 22 | E | 74.3 | Confident | 66 | Low | 125 Ų | 125 | 93.6 Ų | 93.6 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 148.5 | -166.7 | -93.9 | 175.6 | -157.3 | 0 | 0 | 108.3 | S20 | S20-E22 PolarHBondContact O-N 3.49Å; S20-E22 WeakPolarHBondContact OG-CG 3.49Å; S20-E22 PolarHBondContact OG-OE1 3.26Å |
| 23 | C | 87.1 | Confident | 68 | Low | 35 Ų | 35 | 92.5 Ų | 92.5 | 24% | 0.236 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 130.1 | 174.9 | -169.1 | 0 | 0 | 0 | 0 | 107.4 | K25 C27 C29 P52 | C23-K25 PolarHBondContact O-N 3.13Å; C23-C27 PolarHBondContact SG-O 3.17Å; C23-C27 VanDerWaalsContact SG-O 3.34Å; C23-C29 WeakPolarHBondContact CA-SG 3.44Å; C23-C29 HydrophobicContact CB-CB 3.69Å; C23-C29 WeakPolarHBondContact CB-SG 2.94Å; C23-C29 WeakPolarHBondContact SG-CB 3.33Å; C23-C29 PolarHBondContact SG-N 2.65Å; C23-C29 VanDerWaalsContact SG-N 3.35Å; C23-C29 CovalentContact SG-SG 2.02Å; C23-C29 PolarHBondContact SG-SG 3.33Å; C23-P52 HydrophobicContact CB-CG 3.91Å |
| 24 | P | 88.6 | Confident | 70.3 | Confident | 14 Ų | 14 | 87.8 Ų | 87.8 | 9% | 0.091 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 132.4 | -179.3 | -25.6 | 32.4 | 0 | 0 | 0 | 110.1 | R26 C27 I34 F41 P45 L47 | P24-R26 PolarHBondContact O-N 2.88Å; P24-C27 HydrophobicContact CB-CB 4.34Å; P24-C27 WeakPolarHBondContact O-CB 3.22Å; P24-C27 PolarHBondContact O-N 2.8Å; P24-C27 PolarHBondContact O-SG 3.36Å; P24-I34 HydrophobicContact CG-CG2 4.46Å; P24-F41 HydrophobicContact CB-CZ 4.41Å; P24-P45 HydrophobicContact CB-CB 4.25Å; P24-P45 HydrophobicContact CB-CG 4.31Å; P24-L47 HydrophobicContact CG-CD2 4.46Å |
| 25 | K | 85.5 | Confident | 72.7 | Confident | 173 Ų | 173 | 87.6 Ų | 87.6 | 75% | 0.752 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 127.4 | -169.2 | -72.5 | -176.2 | 177.6 | 178.8 | 0 | 111.6 | C23 C27 | C23-K25 PolarHBondContact O-N 3.13Å; K25-C27 VanDerWaalsContact C-N 3.27Å; K25-C27 PolarHBondContact O-N 2.98Å |
| 26 | R | 88.3 | Confident | 75.2 | Confident | 216 Ų | 216 | 81 Ų | 81 | 82% | 0.815 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 9.8 | -177.2 | -50 | 175 | 173.3 | 177.4 | -3.3 | 115.7 | P24 V39 | P24-R26 PolarHBondContact O-N 2.88Å; R26-V39 HydrophobicContact CB-CG1 3.8Å; R26-V39 HydrophobicContact CB-CG2 4.09Å; R26-V39 WeakPolarHBondContact O-CG2 2.97Å |
| 27 | C | 92.2 | Very high | 78.1 | Confident | 19 Ų | 19 | 79.8 Ų | 79.8 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | trans | -89.1 | 159 | 164.6 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | C23 P24 K25 I34 R35 C36 F41 | C23-C27 PolarHBondContact SG-O 3.17Å; C23-C27 VanDerWaalsContact SG-O 3.34Å; P24-C27 HydrophobicContact CB-CB 4.34Å; P24-C27 WeakPolarHBondContact O-CB 3.22Å; P24-C27 PolarHBondContact O-N 2.8Å; P24-C27 PolarHBondContact O-SG 3.36Å; K25-C27 VanDerWaalsContact C-N 3.27Å; K25-C27 PolarHBondContact O-N 2.98Å; C27-I34 HydrophobicContact CB-CG2 4.28Å; C27-R35 CarbonylContact C-O 3.6Å; C27-R35 WeakPolarHBondContact CA-O 3.42Å; C27-R35 WeakPolarHBondContact CB-O 3.32Å; C27-C36 HydrophobicContact CB-CB 4.1Å; C27-C36 WeakPolarHBondContact CB-SG 3.47Å; C27-C36 WeakPolarHBondContact SG-CB 3.28Å; C27-C36 CovalentContact SG-SG 2.03Å; C27-C36 PolarHBondContact SG-SG 2.84Å; C27-F41 VanDerWaalsContact SG-CE2 3.56Å | ||
| 28 | A | 91.6 | Very high | 80.8 | Confident | 62 Ų | 62 | 79.7 Ų | 79.7 | 51% | 0.512 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | R35 | A28-R35 PolarHBondContact N-O 2.78Å; A28-R35 PolarHBondContact O-N 2.95Å |
| 29 | C | 91.4 | Very high | 83.4 | Confident | 22 Ų | 22 | 73 Ų | 73 | 15% | 0.149 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.7 | 175.6 | -68.6 | 0 | 0 | 0 | 0 | 108.4 | C23 T33 V51 P52 | C23-C29 WeakPolarHBondContact CA-SG 3.44Å; C23-C29 HydrophobicContact CB-CB 3.69Å; C23-C29 WeakPolarHBondContact CB-SG 2.94Å; C23-C29 WeakPolarHBondContact SG-CB 3.33Å; C23-C29 PolarHBondContact SG-N 2.65Å; C23-C29 VanDerWaalsContact SG-N 3.35Å; C23-C29 CovalentContact SG-SG 2.02Å; C23-C29 PolarHBondContact SG-SG 3.33Å; C29-T33 WeakPolarHBondContact CA-O 3.21Å; C29-V51 HydrophobicContact CB-CG1 3.58Å; C29-P52 HydrophobicContact CB-CG 4.35Å |
| 30 | M | 87.4 | Confident | 85.8 | Confident | 132 Ų | 132 | 70.8 Ų | 70.8 | 65% | 0.65 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 132 | -177.2 | -173.4 | -176.9 | 74.6 | 0 | 0 | 109.4 | Q32 T33 | M30-Q32 PolarHBondContact O-N 3.22Å; M30-T33 PolarHBondContact N-O 2.86Å; M30-T33 VanDerWaalsContact N-O 3.1Å; M30-T33 WeakPolarHBondContact O-CB 3.39Å; M30-T33 PolarHBondContact O-N 2.8Å |
| 31 | G | 88 | Confident | 88.1 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -121.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112 | V51 S53 D55 G56 G57 | G31-V51 VanDerWaalsContact O-CB 3.29Å; G31-V51 WeakPolarHBondContact O-CB 3.17Å; G31-V51 WeakPolarHBondContact O-CG1 3.22Å; G31-S53 PolarHBondContact N-OG 2.89Å; G31-S53 VanDerWaalsContact N-OG 3.11Å; G31-D55 WeakPolarHBondContact CA-O 3.25Å; G31-D55 PolarHBondContact N-OD1 2.48Å; G31-D55 PolarHBondContact N-OD2 2.93Å; G31-G56 WeakPolarHBondContact O-CA 3.4Å; G31-G57 PolarHBondContact O-N 3.17Å |
| 32 | Q | 90.9 | Very high | 89.4 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 32% | 0.318 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 21 | 177.2 | -64.5 | 173.4 | -72.5 | 0 | 0 | 112.9 | M30 V58 E60 Y61 | M30-Q32 PolarHBondContact O-N 3.22Å; Q32-V58 VanDerWaalsContact CB-O 3.3Å; Q32-V58 WeakPolarHBondContact CB-O 3.3Å; Q32-V58 WeakPolarHBondContact CG-O 3.39Å; Q32-V58 PolarHBondContact NE2-O 3.2Å; Q32-E60 HydrophobicContact CB-CB 4.16Å; Q32-E60 HydrophobicContact CB-CG 4.36Å; Q32-E60 PolarHBondContact NE2-OE1 2Å; Q32-E60 PolarHBondContact O-N 3.44Å; Q32-Y61 PolarHBondContact O-N 3.38Å; Q32-Y61 VanDerWaalsContact O-N 3.12Å |
| 33 | T | 91.4 | Very high | 90.1 | Very high | 47 Ų | 47 | 72.6 Ų | 72.6 | 29% | 0.288 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.1 | -172.6 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | C29 M30 Y61 | C29-T33 WeakPolarHBondContact CA-O 3.21Å; M30-T33 PolarHBondContact N-O 2.86Å; M30-T33 VanDerWaalsContact N-O 3.1Å; M30-T33 WeakPolarHBondContact O-CB 3.39Å; M30-T33 PolarHBondContact O-N 2.8Å; T33-Y61 CarbonylContact C-O 3.24Å; T33-Y61 VanDerWaalsContact CA-O 3.27Å; T33-Y61 WeakPolarHBondContact CA-O 3.08Å |
| 34 | I | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.5 | 166.1 | -63.3 | 174.4 | 0 | 0 | 0 | 109.1 | P24 C27 L47 P48 V51 L59 Y61 L62 T63 | P24-I34 HydrophobicContact CG-CG2 4.46Å; C27-I34 HydrophobicContact CB-CG2 4.28Å; I34-L47 HydrophobicContact CD1-CD2 4.26Å; I34-P48 HydrophobicContact CD1-CG 3.73Å; I34-V51 HydrophobicContact CD1-CG2 4.3Å; I34-V51 HydrophobicContact CG1-CG1 4.26Å; I34-V51 HydrophobicContact CG1-CG2 4.03Å; I34-L59 HydrophobicContact CB-CD1 4.05Å; I34-L59 HydrophobicContact CD1-CD1 3.73Å; I34-L59 HydrophobicContact CD1-CD2 3.94Å; I34-L59 HydrophobicContact CD1-CG 4.41Å; I34-L59 HydrophobicContact CG1-CD1 3.67Å; I34-Y61 PolarHBondContact N-O 3.04Å; I34-L62 HydrophobicContact CB-CD1 3.88Å; I34-L62 HydrophobicContact CG2-CD1 3.94Å; I34-T63 PolarHBondContact O-N 2.92Å; I34-T63 PolarHBondContact O-OG1 3.35Å |
| 35 | R | 94.1 | Very high | 90.1 | Very high | 129 Ų | 129 | 72.6 Ų | 72.6 | 49% | 0.487 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.3 | 178.7 | -176.6 | 167.2 | -172.1 | 174.9 | 2.3 | 112.2 | C27 A28 T63 | C27-R35 CarbonylContact C-O 3.6Å; C27-R35 WeakPolarHBondContact CA-O 3.42Å; C27-R35 WeakPolarHBondContact CB-O 3.32Å; A28-R35 PolarHBondContact N-O 2.78Å; A28-R35 PolarHBondContact O-N 2.95Å; R35-T63 WeakPolarHBondContact CA-O 3.47Å; R35-T63 VanDerWaalsContact CA-OG1 3.24Å; R35-T63 WeakPolarHBondContact CA-OG1 3.35Å; R35-T63 VanDerWaalsContact CB-OG1 3.32Å; R35-T63 WeakPolarHBondContact CB-OG1 3.46Å; R35-T63 VanDerWaalsContact CG-OG1 3.29Å; R35-T63 WeakPolarHBondContact CG-OG1 3.25Å |
| 36 | C | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 102.9 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 109 | C27 V39 F41 T63 I64 V65 N67 | C27-C36 HydrophobicContact CB-CB 4.1Å; C27-C36 WeakPolarHBondContact CB-SG 3.47Å; C27-C36 WeakPolarHBondContact SG-CB 3.28Å; C27-C36 CovalentContact SG-SG 2.03Å; C27-C36 PolarHBondContact SG-SG 2.84Å; C36-V39 HydrophobicContact CB-CG2 4.31Å; C36-F41 HydrophobicContact CB-CD2 4.26Å; C36-F41 HydrophobicContact CB-CE2 4.02Å; C36-T63 PolarHBondContact N-O 2.85Å; C36-I64 HydrophobicContact CB-CB 4.42Å; C36-I64 HydrophobicContact CB-CG1 4.17Å; C36-I64 HydrophobicContact CB-CG2 4.2Å; C36-I64 CarbonylContact O-C 3.57Å; C36-I64 WeakPolarHBondContact O-CA 3.26Å; C36-V65 PolarHBondContact O-N 2.73Å; C36-N67 PolarHBondContact O-ND2 3.27Å |
| 37 | Q | 92.6 | Very high | 89.9 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 39% | 0.388 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126 | 180 | -179.6 | 164.9 | -2.3 | 0 | 0 | 110.5 | V39 V65 E66 | Q37-V39 VanDerWaalsContact C-N 3.28Å; Q37-V39 PolarHBondContact O-N 2.83Å; Q37-V65 WeakPolarHBondContact CA-O 3.3Å; Q37-V65 HydrophobicContact CB-CG2 3.83Å; Q37-V65 HydrophobicContact CG-CG2 3.82Å; Q37-E66 HydrophobicContact CG-CB 4.42Å; Q37-E66 WeakPolarHBondContact CG-OE2 3.28Å; Q37-E66 VanDerWaalsContact NE2-CD 3.31Å; Q37-E66 PolarHBondContact NE2-OE1 2.87Å; Q37-E66 PolarHBondContact NE2-OE2 3.04Å |
| 38 | N | 90.9 | Very high | 89.6 | Confident | 125 Ų | 125 | 63.7 Ų | 63.7 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 52 | 41.6 | 177.1 | -164.5 | 22.8 | 0 | 0 | 0 | 114.5 | V65 E66 | N38-V65 PolarHBondContact N-O 2.76Å; N38-E66 VanDerWaalsContact CA-O 3.28Å; N38-E66 WeakPolarHBondContact CA-O 3.36Å; N38-E66 HydrophobicContact CB-CB 4.39Å |
| 39 | V | 89.1 | Confident | 89.1 | Confident | 23 Ų | 23 | 64 Ų | 64 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -87.9 | -21.7 | -177.5 | 176.4 | 0 | 0 | 0 | 0 | 112.1 | R26 C36 Q37 F41 N67 | R26-V39 HydrophobicContact CB-CG1 3.8Å; R26-V39 HydrophobicContact CB-CG2 4.09Å; R26-V39 WeakPolarHBondContact O-CG2 2.97Å; C36-V39 HydrophobicContact CB-CG2 4.31Å; Q37-V39 VanDerWaalsContact C-N 3.28Å; Q37-V39 PolarHBondContact O-N 2.83Å; V39-F41 HydrophobicContact CB-CD2 3.88Å; V39-F41 HydrophobicContact CB-CE2 3.83Å; V39-F41 HydrophobicContact CG1-CD2 3.89Å; V39-F41 HydrophobicContact CG1-CE1 4.32Å; V39-F41 HydrophobicContact CG1-CE2 3.49Å; V39-F41 VanDerWaalsContact CG1-CE2 3.49Å; V39-F41 HydrophobicContact CG1-CG 4.45Å; V39-F41 HydrophobicContact CG1-CZ 3.73Å; V39-F41 HydrophobicContact CG2-CE2 4.31Å; V39-N67 PolarHBondContact N-OD1 3.04Å |
| 40 | G | 88.3 | Confident | 88.8 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | trans | 92.9 | 16.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R42 N67 | G40-R42 PolarHBondContact O-N 2.73Å; G40-N67 PolarHBondContact N-OD1 2.9Å | ||
| 41 | F | 90.2 | Very high | 88.7 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 17% | 0.171 | 31% | 0.314 | C | S | . | . | trans | -61.8 | 135.3 | 176 | -72.2 | -54.9 | 0 | 0 | 0 | 111.5 | P24 C27 C36 V39 P45 I64 N67 S68 I69 | P24-F41 HydrophobicContact CB-CZ 4.41Å; C27-F41 VanDerWaalsContact SG-CE2 3.56Å; C36-F41 HydrophobicContact CB-CD2 4.26Å; C36-F41 HydrophobicContact CB-CE2 4.02Å; V39-F41 HydrophobicContact CB-CD2 3.88Å; V39-F41 HydrophobicContact CB-CE2 3.83Å; V39-F41 HydrophobicContact CG1-CD2 3.89Å; V39-F41 HydrophobicContact CG1-CE1 4.32Å; V39-F41 HydrophobicContact CG1-CE2 3.49Å; V39-F41 VanDerWaalsContact CG1-CE2 3.49Å; V39-F41 HydrophobicContact CG1-CG 4.45Å; V39-F41 HydrophobicContact CG1-CZ 3.73Å; V39-F41 HydrophobicContact CG2-CE2 4.31Å; F41-P45 HydrophobicContact CD1-CB 4.3Å; F41-P45 HydrophobicContact CD2-CG 4.4Å; F41-P45 HydrophobicContact CE1-CB 3.84Å; F41-P45 HydrophobicContact CE1-CG 4.32Å; F41-P45 HydrophobicContact CE2-CB 4.45Å; F41-P45 HydrophobicContact CE2-CG 4.09Å; F41-P45 HydrophobicContact CZ-CB 3.93Å; F41-P45 HydrophobicContact CZ-CG 4.06Å; F41-I64 HydrophobicContact CD2-CG2 4.48Å; F41-N67 HydrophobicContact CB-CB 4.36Å; F41-N67 PolarHBondContact N-OD1 3Å; F41-S68 CarbonylContact O-C 3.2Å; F41-S68 VanDerWaalsContact O-C 3.27Å; F41-S68 WeakPolarHBondContact O-CA 3.35Å; F41-S68 PolarHBondContact O-N 3.24Å; F41-I69 HydrophobicContact CB-CG1 4.45Å; F41-I69 PolarHBondContact O-N 2.76Å | ||
| 42 | R | 88.9 | Confident | 88.4 | Confident | 198 Ų | 198 | 63.3 Ų | 63.3 | 75% | 0.747 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -105.3 | -15.8 | 174.5 | -62.7 | -174.1 | -179.3 | -158.2 | 0.5 | 113 | G40 I69 | G40-R42 PolarHBondContact O-N 2.73Å; R42-I69 WeakPolarHBondContact O-CA 3.32Å |
| 43 | T | 87.5 | Confident | 87.8 | Confident | 79 Ų | 79 | 61.7 Ų | 61.7 | 49% | 0.485 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -137.5 | 165.5 | 175.9 | 58.1 | 0 | 0 | 0 | 0 | 108.3 | ||
| 44 | I | 88 | Confident | 87 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 14% | 0.138 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 128 | 170.1 | -56.7 | -66.1 | 0 | 0 | 0 | 107.9 | L47 I64 I69 L72 F77 L88 | I44-L47 HydrophobicContact CG2-CD1 4.27Å; I44-I64 HydrophobicContact CD1-CD1 3.8Å; I44-I64 HydrophobicContact CG2-CD1 4.28Å; I44-I69 HydrophobicContact CD1-CD1 3.79Å; I44-L72 HydrophobicContact CD1-CD2 3.98Å; I44-L72 HydrophobicContact CG1-CD2 4.02Å; I44-F77 HydrophobicContact CD1-CE1 3.89Å; I44-F77 HydrophobicContact CD1-CZ 3.7Å; I44-F77 HydrophobicContact CG1-CE1 4.15Å; I44-F77 HydrophobicContact CG1-CZ 3.95Å; I44-F77 HydrophobicContact CG2-CD1 4.45Å; I44-F77 HydrophobicContact CG2-CE1 3.95Å; I44-L88 HydrophobicContact CD1-CD2 3.88Å |
| 45 | P | 88.1 | Confident | 86 | Confident | 21 Ų | 21 | 70.7 Ų | 70.7 | 14% | 0.136 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 165.1 | 175.5 | 30.9 | -34.3 | 0 | 0 | 0 | 110.4 | P24 F41 L47 I64 | P24-P45 HydrophobicContact CB-CB 4.25Å; P24-P45 HydrophobicContact CB-CG 4.31Å; F41-P45 HydrophobicContact CD1-CB 4.3Å; F41-P45 HydrophobicContact CD2-CG 4.4Å; F41-P45 HydrophobicContact CE1-CB 3.84Å; F41-P45 HydrophobicContact CE1-CG 4.32Å; F41-P45 HydrophobicContact CE2-CB 4.45Å; F41-P45 HydrophobicContact CE2-CG 4.09Å; F41-P45 HydrophobicContact CZ-CB 3.93Å; F41-P45 HydrophobicContact CZ-CG 4.06Å; P45-L47 HydrophobicContact CG-CD2 4.21Å; P45-L47 PolarHBondContact O-N 3.17Å; P45-I64 HydrophobicContact CG-CD1 4.39Å |
| 46 | Q | 83.5 | Confident | 85 | Confident | 192 Ų | 192 | 66 Ų | 66 | 90% | 0.897 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 132.3 | 164 | -75.5 | -175.6 | -22.5 | 0 | 0 | 108.9 | ||
| 47 | L | 86.8 | Confident | 84.5 | Confident | 22 Ų | 22 | 66.9 Ų | 66.9 | 12% | 0.115 | 38% | 0.378 | C | S | . | . | trans | -110.5 | 135.7 | -177.5 | -61.1 | 166.2 | 0 | 0 | 0 | 108.3 | P24 I34 I44 P45 L59 L62 F77 H80 | P24-L47 HydrophobicContact CG-CD2 4.46Å; I34-L47 HydrophobicContact CD1-CD2 4.26Å; I44-L47 HydrophobicContact CG2-CD1 4.27Å; P45-L47 HydrophobicContact CG-CD2 4.21Å; P45-L47 PolarHBondContact O-N 3.17Å; L47-L59 HydrophobicContact CB-CD2 4.19Å; L47-L59 HydrophobicContact CD1-CD2 4.29Å; L47-L62 HydrophobicContact CD1-CD1 4.37Å; L47-L62 HydrophobicContact CD1-CD2 3.39Å; L47-L62 HydrophobicContact CD2-CD1 3.65Å; L47-L62 HydrophobicContact CD2-CD2 4.19Å; L47-L62 HydrophobicContact CG-CD2 4.43Å; L47-F77 HydrophobicContact CD1-CD1 4.43Å; L47-H80 PolarHBondContact O-CE1 2.85Å | ||
| 48 | P | 85.3 | Confident | 84.2 | Confident | 8 Ų | 8 | 65.6 Ų | 65.6 | 5% | 0.052 | 38% | 0.376 | C | S | . | . | trans | -69.4 | 149.8 | 172.6 | 32.1 | -36.2 | 0 | 0 | 0 | 110.3 | E21 I34 I50 | E21-P48 HydrophobicContact CB-CB 3.71Å; E21-P48 HydrophobicContact CG-CB 4.09Å; E21-P48 WeakPolarHBondContact OE2-CB 3.28Å; I34-P48 HydrophobicContact CD1-CG 3.73Å; P48-I50 WeakPolarHBondContact CB-O 3.33Å | ||
| 49 | T | 82.1 | Confident | 84.1 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -74.1 | -36 | 172.4 | -56.2 | 0 | 0 | 0 | 0 | 110 | E21 V58 L59 | E21-T49 PolarHBondContact OE2-N 3.18Å; T49-V58 WeakPolarHBondContact O-CA 3.32Å; T49-L59 PolarHBondContact O-N 2.72Å; T49-L59 VanDerWaalsContact O-N 3.15Å |
| 50 | I | 83.8 | Confident | 84.3 | Confident | 98 Ų | 98 | 60.9 Ų | 60.9 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -112.6 | 121.3 | 175.7 | -57.7 | 176.3 | 0 | 0 | 0 | 108.9 | E21 P48 P52 | E21-I50 PolarHBondContact OE2-N 2.59Å; P48-I50 WeakPolarHBondContact CB-O 3.33Å; I50-P52 WeakPolarHBondContact O-CD 3.24Å |
| 51 | V | 86.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | trans | -67.7 | 126.4 | -177.4 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | C29 G31 I34 S53 G56 G57 L59 | C29-V51 HydrophobicContact CB-CG1 3.58Å; G31-V51 VanDerWaalsContact O-CB 3.29Å; G31-V51 WeakPolarHBondContact O-CB 3.17Å; G31-V51 WeakPolarHBondContact O-CG1 3.22Å; I34-V51 HydrophobicContact CD1-CG2 4.3Å; I34-V51 HydrophobicContact CG1-CG1 4.26Å; I34-V51 HydrophobicContact CG1-CG2 4.03Å; V51-S53 PolarHBondContact O-N 3.39Å; V51-G56 VanDerWaalsContact O-CA 3.24Å; V51-G56 WeakPolarHBondContact O-CA 3.19Å; V51-G57 PolarHBondContact N-O 3.28Å; V51-L59 HydrophobicContact CG2-CB 4.1Å; V51-L59 HydrophobicContact CG2-CD1 3.9Å | ||
| 52 | P | 81.7 | Confident | 84.8 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | trans | -82.5 | 82.6 | -176.6 | 32.1 | -36.5 | 0 | 0 | 0 | 111.8 | E21 C23 C29 I50 | E21-P52 WeakPolarHBondContact O-CB 3.37Å; E21-P52 WeakPolarHBondContact O-CG 3.39Å; C23-P52 HydrophobicContact CB-CG 3.91Å; C29-P52 HydrophobicContact CB-CG 4.35Å; I50-P52 WeakPolarHBondContact O-CD 3.24Å | ||
| 53 | S | 76.9 | Confident | 85.1 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -137.7 | 164 | 168.6 | 65.6 | 0 | 0 | 0 | 0 | 110.3 | G31 V51 D55 G56 | G31-S53 PolarHBondContact N-OG 2.89Å; G31-S53 VanDerWaalsContact N-OG 3.11Å; V51-S53 PolarHBondContact O-N 3.39Å; S53-D55 VanDerWaalsContact CB-OD1 3.27Å; S53-D55 WeakPolarHBondContact CB-OD1 3.34Å; S53-D55 PolarHBondContact O-N 2.82Å; S53-D55 VanDerWaalsContact O-N 3.12Å; S53-D55 PolarHBondContact OG-OD1 2.8Å; S53-G56 PolarHBondContact O-N 2.73Å; S53-G56 VanDerWaalsContact OG-CA 3.23Å; S53-G56 WeakPolarHBondContact OG-CA 3.1Å; S53-G56 PolarHBondContact OG-N 2.66Å; S53-G56 VanDerWaalsContact OG-N 3.12Å |
| 54 | S | 74.8 | Confident | 85.4 | Confident | 139 Ų | 139 | 48.4 Ų | 48.4 | 97% | 0.972 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.8 | 178.6 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | ||
| 55 | D | 74 | Confident | 85.7 | Confident | 96 Ų | 96 | 47.2 Ų | 47.2 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 18.9 | 175.2 | 63.9 | -18.9 | 0 | 0 | 0 | 112.5 | G31 S53 | G31-D55 WeakPolarHBondContact CA-O 3.25Å; G31-D55 PolarHBondContact N-OD1 2.48Å; G31-D55 PolarHBondContact N-OD2 2.93Å; S53-D55 VanDerWaalsContact CB-OD1 3.27Å; S53-D55 WeakPolarHBondContact CB-OD1 3.34Å; S53-D55 PolarHBondContact O-N 2.82Å; S53-D55 VanDerWaalsContact O-N 3.12Å; S53-D55 PolarHBondContact OG-OD1 2.8Å |
| 56 | G | 73 | Confident | 86 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 32% | 0.32 | 29% | 0.285 | S | S | . | . | trans | -66.8 | 140.8 | -169 | 0 | 0 | 0 | 0 | 0 | 115.1 | G31 V51 S53 | G31-G56 WeakPolarHBondContact O-CA 3.4Å; V51-G56 VanDerWaalsContact O-CA 3.24Å; V51-G56 WeakPolarHBondContact O-CA 3.19Å; S53-G56 PolarHBondContact O-N 2.73Å; S53-G56 VanDerWaalsContact OG-CA 3.23Å; S53-G56 WeakPolarHBondContact OG-CA 3.1Å; S53-G56 PolarHBondContact OG-N 2.66Å; S53-G56 VanDerWaalsContact OG-N 3.12Å | ||
| 57 | G | 82.6 | Confident | 86.4 | Confident | 19 Ų | 19 | 41.5 Ų | 41.5 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | trans | -139.3 | -170.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G31 V51 L59 | G31-G57 PolarHBondContact O-N 3.17Å; V51-G57 PolarHBondContact N-O 3.28Å; G57-L59 PolarHBondContact O-N 3.21Å | ||
| 58 | V | 87 | Confident | 86.6 | Confident | 56 Ų | 56 | 42.4 Ų | 42.4 | 34% | 0.339 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -59.9 | 136.5 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | Q32 T49 E60 D82 | Q32-V58 VanDerWaalsContact CB-O 3.3Å; Q32-V58 WeakPolarHBondContact CB-O 3.3Å; Q32-V58 WeakPolarHBondContact CG-O 3.39Å; Q32-V58 PolarHBondContact NE2-O 3.2Å; T49-V58 WeakPolarHBondContact O-CA 3.32Å; V58-E60 PolarHBondContact O-N 3.48Å; V58-E60 VanDerWaalsContact O-N 3.11Å; V58-D82 HydrophobicContact CG1-CB 3.82Å |
| 59 | L | 89.1 | Confident | 87 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | trans | -62.3 | 109.5 | -177.2 | 178.6 | 61.8 | 0 | 0 | 0 | 112.4 | I34 L47 T49 V51 G57 L83 | I34-L59 HydrophobicContact CB-CD1 4.05Å; I34-L59 HydrophobicContact CD1-CD1 3.73Å; I34-L59 HydrophobicContact CD1-CD2 3.94Å; I34-L59 HydrophobicContact CD1-CG 4.41Å; I34-L59 HydrophobicContact CG1-CD1 3.67Å; L47-L59 HydrophobicContact CB-CD2 4.19Å; L47-L59 HydrophobicContact CD1-CD2 4.29Å; T49-L59 PolarHBondContact O-N 2.72Å; T49-L59 VanDerWaalsContact O-N 3.15Å; V51-L59 HydrophobicContact CG2-CB 4.1Å; V51-L59 HydrophobicContact CG2-CD1 3.9Å; G57-L59 PolarHBondContact O-N 3.21Å; L59-L83 HydrophobicContact CD2-CD1 4.27Å; L59-L83 HydrophobicContact CG-CD1 3.87Å | ||
| 60 | E | 92.5 | Very high | 87.4 | Confident | 47 Ų | 47 | 44.1 Ų | 44.1 | 22% | 0.22 | 26% | 0.257 | C | S | . | . | trans | -107.3 | -28.3 | 177.2 | -71.4 | -176.4 | -170.5 | 0 | 0 | 112.8 | Q32 V58 L84 R85 | Q32-E60 HydrophobicContact CB-CB 4.16Å; Q32-E60 HydrophobicContact CB-CG 4.36Å; Q32-E60 PolarHBondContact NE2-OE1 2Å; Q32-E60 PolarHBondContact O-N 3.44Å; V58-E60 PolarHBondContact O-N 3.48Å; V58-E60 VanDerWaalsContact O-N 3.11Å; E60-L84 HydrophobicContact CB-CD1 4.34Å; E60-L84 HydrophobicContact CB-CG 4.35Å; E60-L84 HydrophobicContact CG-CD1 4.31Å; E60-L84 HydrophobicContact CG-CG 4.43Å; E60-L84 PolarHBondContact O-N 3.36Å; E60-R85 PolarHBondContact O-N 2.88Å; E60-R85 VanDerWaalsContact O-N 3.08Å | ||
| 61 | Y | 94.9 | Very high | 87.8 | Confident | 85 Ų | 85 | 46.1 Ų | 46.1 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 110.8 | -174.1 | -57.8 | -89.9 | 0 | 0 | 0 | 111 | Q32 T33 I34 R85 | Q32-Y61 PolarHBondContact O-N 3.38Å; Q32-Y61 VanDerWaalsContact O-N 3.12Å; T33-Y61 CarbonylContact C-O 3.24Å; T33-Y61 VanDerWaalsContact CA-O 3.27Å; T33-Y61 WeakPolarHBondContact CA-O 3.08Å; I34-Y61 PolarHBondContact N-O 3.04Å; Y61-R85 HydrophobicContact CD1-CB 3.65Å; Y61-R85 HydrophobicContact CD1-CG 4.3Å; Y61-R85 HydrophobicContact CE1-CB 4.14Å |
| 62 | L | 94.6 | Very high | 88 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.7 | 176.7 | 179.6 | 63.4 | 0 | 0 | 0 | 110.9 | I34 L47 I64 F77 L83 R85 L86 E87 | I34-L62 HydrophobicContact CB-CD1 3.88Å; I34-L62 HydrophobicContact CG2-CD1 3.94Å; L47-L62 HydrophobicContact CD1-CD1 4.37Å; L47-L62 HydrophobicContact CD1-CD2 3.39Å; L47-L62 HydrophobicContact CD2-CD1 3.65Å; L47-L62 HydrophobicContact CD2-CD2 4.19Å; L47-L62 HydrophobicContact CG-CD2 4.43Å; L62-I64 HydrophobicContact CD1-CD1 4.14Å; L62-I64 HydrophobicContact CD1-CG1 3.97Å; L62-I64 HydrophobicContact CD2-CD1 4.12Å; L62-I64 HydrophobicContact CG-CD1 4.25Å; L62-I64 HydrophobicContact CG-CG1 4.19Å; L62-F77 HydrophobicContact CD2-CD1 4.07Å; L62-F77 HydrophobicContact CD2-CE1 3.85Å; L62-L83 HydrophobicContact CB-CD1 3.75Å; L62-L83 HydrophobicContact CB-CD2 4.37Å; L62-R85 PolarHBondContact N-O 3.48Å; L62-L86 HydrophobicContact CB-CD1 4.17Å; L62-L86 HydrophobicContact CD2-CD1 3.77Å; L62-L86 HydrophobicContact CG-CD1 4.08Å; L62-L86 WeakPolarHBondContact O-CA 3.19Å; L62-E87 PolarHBondContact O-N 2.84Å |
| 63 | T | 95.1 | Very high | 88.2 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 113.9 | 176 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | I34 R35 C36 E87 | I34-T63 PolarHBondContact O-N 2.92Å; I34-T63 PolarHBondContact O-OG1 3.35Å; R35-T63 WeakPolarHBondContact CA-O 3.47Å; R35-T63 VanDerWaalsContact CA-OG1 3.24Å; R35-T63 WeakPolarHBondContact CA-OG1 3.35Å; R35-T63 VanDerWaalsContact CB-OG1 3.32Å; R35-T63 WeakPolarHBondContact CB-OG1 3.46Å; R35-T63 VanDerWaalsContact CG-OG1 3.29Å; R35-T63 WeakPolarHBondContact CG-OG1 3.25Å; C36-T63 PolarHBondContact N-O 2.85Å; T63-E87 CarbonylContact C-O 3.5Å; T63-E87 WeakPolarHBondContact CA-O 3.01Å; T63-E87 HydrophobicContact CG2-CB 3.91Å; T63-E87 HydrophobicContact CG2-CG 3.99Å |
| 64 | I | 94.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 91.6 | 174.6 | -52.8 | 169.4 | 0 | 0 | 0 | 107.8 | C36 F41 I44 P45 L62 N67 I69 E87 L88 N91 | C36-I64 HydrophobicContact CB-CB 4.42Å; C36-I64 HydrophobicContact CB-CG1 4.17Å; C36-I64 HydrophobicContact CB-CG2 4.2Å; C36-I64 CarbonylContact O-C 3.57Å; C36-I64 WeakPolarHBondContact O-CA 3.26Å; F41-I64 HydrophobicContact CD2-CG2 4.48Å; I44-I64 HydrophobicContact CD1-CD1 3.8Å; I44-I64 HydrophobicContact CG2-CD1 4.28Å; P45-I64 HydrophobicContact CG-CD1 4.39Å; L62-I64 HydrophobicContact CD1-CD1 4.14Å; L62-I64 HydrophobicContact CD1-CG1 3.97Å; L62-I64 HydrophobicContact CD2-CD1 4.12Å; L62-I64 HydrophobicContact CG-CD1 4.25Å; L62-I64 HydrophobicContact CG-CG1 4.19Å; I64-N67 HydrophobicContact CG2-CB 4.38Å; I64-I69 HydrophobicContact CG2-CD1 3.71Å; I64-E87 PolarHBondContact N-O 3.12Å; I64-L88 HydrophobicContact CB-CD2 3.93Å; I64-L88 HydrophobicContact CD1-CD2 4.34Å; I64-L88 HydrophobicContact CG1-CD2 4.48Å; I64-L88 WeakPolarHBondContact O-CA 3.21Å; I64-N91 PolarHBondContact O-ND2 3.34Å |
| 65 | V | 93.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 152.1 | -166.8 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | C36 Q37 N38 N67 E87 Y89 | C36-V65 PolarHBondContact O-N 2.73Å; Q37-V65 WeakPolarHBondContact CA-O 3.3Å; Q37-V65 HydrophobicContact CB-CG2 3.83Å; Q37-V65 HydrophobicContact CG-CG2 3.82Å; N38-V65 PolarHBondContact N-O 2.76Å; V65-N67 VanDerWaalsContact C-N 3.28Å; V65-N67 PolarHBondContact O-N 2.79Å; V65-N67 PolarHBondContact O-ND2 3.16Å; V65-E87 HydrophobicContact CG1-CB 4.49Å; V65-Y89 WeakPolarHBondContact CA-O 3.1Å; V65-Y89 HydrophobicContact CB-CD2 4.33Å; V65-Y89 HydrophobicContact CB-CE1 4.3Å; V65-Y89 HydrophobicContact CB-CE2 3.99Å; V65-Y89 HydrophobicContact CG1-CD1 3.64Å; V65-Y89 HydrophobicContact CG1-CD2 4.18Å; V65-Y89 HydrophobicContact CG1-CE1 3.33Å; V65-Y89 HydrophobicContact CG1-CE2 3.91Å; V65-Y89 HydrophobicContact CG1-CG 4.04Å; V65-Y89 VanDerWaalsContact CG1-CZ 3.45Å |
| 66 | E | 93.6 | Very high | 88.5 | Confident | 85 Ų | 85 | 43.2 Ų | 43.2 | 40% | 0.397 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 57.3 | 37.1 | 177.8 | -59.5 | 176.5 | 178 | 0 | 0 | 113.7 | Q37 N38 Y89 S90 | Q37-E66 HydrophobicContact CG-CB 4.42Å; Q37-E66 WeakPolarHBondContact CG-OE2 3.28Å; Q37-E66 VanDerWaalsContact NE2-CD 3.31Å; Q37-E66 PolarHBondContact NE2-OE1 2.87Å; Q37-E66 PolarHBondContact NE2-OE2 3.04Å; N38-E66 VanDerWaalsContact CA-O 3.28Å; N38-E66 WeakPolarHBondContact CA-O 3.36Å; N38-E66 HydrophobicContact CB-CB 4.39Å; E66-Y89 PolarHBondContact N-O 2.78Å; E66-S90 WeakPolarHBondContact CA-O 3.25Å; E66-S90 PolarHBondContact N-O 2.94Å |
| 67 | N | 92.6 | Very high | 89.2 | Confident | 8 Ų | 8 | 41.9 Ų | 41.9 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -111.5 | -173.6 | 178 | -79.8 | -84.1 | 0 | 0 | 0 | 111.2 | C36 V39 G40 F41 I64 V65 I69 N91 | C36-N67 PolarHBondContact O-ND2 3.27Å; V39-N67 PolarHBondContact N-OD1 3.04Å; G40-N67 PolarHBondContact N-OD1 2.9Å; F41-N67 HydrophobicContact CB-CB 4.36Å; F41-N67 PolarHBondContact N-OD1 3Å; I64-N67 HydrophobicContact CG2-CB 4.38Å; V65-N67 VanDerWaalsContact C-N 3.28Å; V65-N67 PolarHBondContact O-N 2.79Å; V65-N67 PolarHBondContact O-ND2 3.16Å; N67-I69 HydrophobicContact CB-CG1 4.49Å; N67-N91 WeakPolarHBondContact CA-OD1 3.39Å; N67-N91 WeakPolarHBondContact CB-OD1 3.21Å; N67-N91 PolarHBondContact N-OD1 2.65Å; N67-N91 PolarHBondContact O-OD1 2.81Å |
| 68 | S | 92.2 | Very high | 88.7 | Confident | 42 Ų | 42 | 47.1 Ų | 47.1 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | trans | -109.3 | 31.2 | -177.7 | -63 | 0 | 0 | 0 | 0 | 112.4 | F41 M70 Q92 | F41-S68 CarbonylContact O-C 3.2Å; F41-S68 VanDerWaalsContact O-C 3.27Å; F41-S68 WeakPolarHBondContact O-CA 3.35Å; F41-S68 PolarHBondContact O-N 3.24Å; S68-M70 PolarHBondContact O-N 3.08Å; S68-Q92 PolarHBondContact OG-NE2 2.77Å | ||
| 69 | I | 93.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -69.5 | 123.6 | 179 | -59.1 | 175.7 | 0 | 0 | 0 | 109 | F41 R42 I44 I64 N67 L72 N91 Q92 I93 | F41-I69 HydrophobicContact CB-CG1 4.45Å; F41-I69 PolarHBondContact O-N 2.76Å; R42-I69 WeakPolarHBondContact O-CA 3.32Å; I44-I69 HydrophobicContact CD1-CD1 3.79Å; I64-I69 HydrophobicContact CG2-CD1 3.71Å; N67-I69 HydrophobicContact CB-CG1 4.49Å; I69-L72 HydrophobicContact CG2-CD2 4.29Å; I69-N91 HydrophobicContact CB-CB 4.31Å; I69-N91 PolarHBondContact N-OD1 2.91Å; I69-Q92 CarbonylContact O-C 3.48Å; I69-Q92 VanDerWaalsContact O-CA 3.3Å; I69-Q92 WeakPolarHBondContact O-CA 3.34Å; I69-Q92 PolarHBondContact O-N 3.18Å; I69-I93 HydrophobicContact CB-CG1 4.41Å; I69-I93 HydrophobicContact CG2-CG1 4.14Å; I69-I93 WeakPolarHBondContact O-CG1 3.36Å; I69-I93 PolarHBondContact O-N 3.27Å | ||
| 70 | M | 90.5 | Very high | 87.5 | Confident | 112 Ų | 112 | 47.9 Ų | 47.9 | 55% | 0.552 | 24% | 0.24 | S | C | * | . | trans | -101.9 | -25.3 | -176.1 | -69.2 | -179.3 | 61.7 | 0 | 0 | 114.1 | S68 Q92 I93 V94 | S68-M70 PolarHBondContact O-N 3.08Å; M70-Q92 WeakPolarHBondContact CA-O 3.32Å; M70-Q92 HydrophobicContact CG-CB 4.19Å; M70-I93 WeakPolarHBondContact O-CA 3.41Å; M70-V94 PolarHBondContact O-N 2.72Å | ||
| 71 | R | 91 | Very high | 86.9 | Confident | 140 Ų | 140 | 50.3 Ų | 50.3 | 53% | 0.528 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 145.8 | -175.6 | 62.8 | -175.3 | -171.1 | -170.4 | 3.8 | 111.6 | E73 W95 | R71-E73 HydrophobicContact CG-CG 4.29Å; R71-E73 IonicContact CZ-OE1 2.76Å; R71-E73 IonicContact NE-OE1 2.98Å; R71-E73 PolarHBondContact NE-OE1 2.79Å; R71-E73 IonicContact NH2-OE1 3.26Å; R71-E73 PolarHBondContact NH2-OE1 3.41Å; R71-W95 VanDerWaalsContact CA-O 3.25Å; R71-W95 WeakPolarHBondContact CA-O 3.1Å; R71-W95 HydrophobicContact CB-CE3 4.18Å |
| 72 | L | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 114.5 | 166 | -58.8 | -178.4 | 0 | 0 | 0 | 108.4 | I44 I69 F77 L88 I93 W95 I96 S97 A100 F101 L112 | I44-L72 HydrophobicContact CD1-CD2 3.98Å; I44-L72 HydrophobicContact CG1-CD2 4.02Å; I69-L72 HydrophobicContact CG2-CD2 4.29Å; L72-F77 HydrophobicContact CD2-CZ 4.44Å; L72-L88 HydrophobicContact CD1-CD1 3.73Å; L72-L88 HydrophobicContact CD2-CD1 4.06Å; L72-I93 HydrophobicContact CD1-CD1 4.4Å; L72-I93 HydrophobicContact CD2-CD1 4.28Å; L72-I93 HydrophobicContact CG-CD1 4.26Å; L72-I93 HydrophobicContact CG-CG2 4.42Å; L72-W95 PolarHBondContact N-O 2.83Å; L72-W95 WeakPolarHBondContact O-CZ3 3.26Å; L72-I96 HydrophobicContact CB-CG1 4.33Å; L72-I96 HydrophobicContact CB-CG2 4.27Å; L72-I96 HydrophobicContact CD1-CD1 4.02Å; L72-I96 HydrophobicContact CD1-CG1 3.99Å; L72-I96 HydrophobicContact CD1-CG2 4.31Å; L72-I96 HydrophobicContact CG-CG1 4.24Å; L72-S97 PolarHBondContact O-N 2.7Å; L72-A100 HydrophobicContact CB-CB 4.04Å; L72-F101 HydrophobicContact CD1-CE1 4.12Å; L72-F101 HydrophobicContact CD1-CZ 4.18Å; L72-L112 HydrophobicContact CD1-CD2 4.43Å |
| 73 | E | 86.5 | Confident | 86.1 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 41% | 0.407 | 26% | 0.26 | S | S | . | . | trans | -81.2 | 172 | -178.1 | -60.6 | -168.6 | -168.9 | 0 | 0 | 111.4 | R71 A75 S76 A100 | R71-E73 HydrophobicContact CG-CG 4.29Å; R71-E73 IonicContact CZ-OE1 2.76Å; R71-E73 IonicContact NE-OE1 2.98Å; R71-E73 PolarHBondContact NE-OE1 2.79Å; R71-E73 IonicContact NH2-OE1 3.26Å; R71-E73 PolarHBondContact NH2-OE1 3.41Å; E73-A75 PolarHBondContact O-N 2.82Å; E73-S76 PolarHBondContact N-OG 2.84Å; E73-S76 PolarHBondContact O-N 2.89Å; E73-S76 PolarHBondContact O-OG 3.03Å; E73-A100 WeakPolarHBondContact O-CA 3.37Å | ||
| 74 | K | 80.5 | Confident | 86 | Confident | 131 Ų | 131 | 51.8 Ų | 51.8 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 131.6 | 175.4 | 175 | -179 | -176.2 | 126.8 | 0 | 109.8 | S76 E99 | K74-S76 PolarHBondContact O-N 3.18Å; K74-E99 HydrophobicContact CB-CB 4.48Å; K74-E99 WeakPolarHBondContact CD-OE2 3.3Å; K74-E99 WeakPolarHBondContact CE-OE2 3.31Å; K74-E99 HydrophobicContact CG-CB 3.97Å; K74-E99 VanDerWaalsContact CG-OE2 3.29Å; K74-E99 WeakPolarHBondContact CG-OE2 3.35Å; K74-E99 IonicContact NZ-OE1 3.3Å; K74-E99 PolarHBondContact NZ-OE1 3.28Å; K74-E99 IonicContact NZ-OE2 3.85Å; K74-E99 PolarHBondContact NZ-OE2 3Å |
| 75 | A | 72.6 | Confident | 86.2 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 36.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | E73 F77 E78 E99 | E73-A75 PolarHBondContact O-N 2.82Å; A75-F77 PolarHBondContact O-N 2.79Å; A75-E78 HydrophobicContact CB-CB 3.84Å; A75-E78 HydrophobicContact CB-CG 4.3Å; A75-E78 VanDerWaalsContact CB-OE2 3.29Å; A75-E78 WeakPolarHBondContact CB-OE2 3.27Å; A75-E78 WeakPolarHBondContact O-CB 3.41Å; A75-E78 PolarHBondContact O-N 2.9Å; A75-E99 PolarHBondContact N-O 2.82Å |
| 76 | S | 79 | Confident | 86.3 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 22% | 0.217 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -14.4 | -178 | -67 | 0 | 0 | 0 | 0 | 114.5 | E73 K74 | E73-S76 PolarHBondContact N-OG 2.84Å; E73-S76 PolarHBondContact O-N 2.89Å; E73-S76 PolarHBondContact O-OG 3.03Å; K74-S76 PolarHBondContact O-N 3.18Å |
| 77 | F | 85.9 | Confident | 86.4 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | 20.1 | -178.9 | -52.2 | -79.6 | 0 | 0 | 0 | 112 | I44 L47 L62 L72 A75 G79 H80 L86 L88 F101 M104 | I44-F77 HydrophobicContact CD1-CE1 3.89Å; I44-F77 HydrophobicContact CD1-CZ 3.7Å; I44-F77 HydrophobicContact CG1-CE1 4.15Å; I44-F77 HydrophobicContact CG1-CZ 3.95Å; I44-F77 HydrophobicContact CG2-CD1 4.45Å; I44-F77 HydrophobicContact CG2-CE1 3.95Å; L47-F77 HydrophobicContact CD1-CD1 4.43Å; L62-F77 HydrophobicContact CD2-CD1 4.07Å; L62-F77 HydrophobicContact CD2-CE1 3.85Å; L72-F77 HydrophobicContact CD2-CZ 4.44Å; A75-F77 PolarHBondContact O-N 2.79Å; F77-G79 PolarHBondContact O-N 2.76Å; F77-H80 PolarHBondContact O-N 3.04Å; F77-L86 HydrophobicContact CD1-CD1 4.39Å; F77-L86 HydrophobicContact CD1-CD2 4.33Å; F77-L86 HydrophobicContact CD2-CD2 4.06Å; F77-L86 HydrophobicContact CE1-CD1 3.74Å; F77-L86 HydrophobicContact CE1-CD2 3.98Å; F77-L86 HydrophobicContact CE2-CD2 3.68Å; F77-L86 HydrophobicContact CG-CD2 4.38Å; F77-L86 HydrophobicContact CZ-CD1 4Å; F77-L86 HydrophobicContact CZ-CD2 3.65Å; F77-L86 HydrophobicContact CZ-CG 4.44Å; F77-L88 HydrophobicContact CE2-CD1 4.5Å; F77-L88 HydrophobicContact CZ-CD1 3.9Å; F77-F101 HydrophobicContact CE2-CD1 4.5Å; F77-F101 HydrophobicContact CE2-CE1 4.46Å; F77-M104 HydrophobicContact CB-CE 4.11Å; F77-M104 HydrophobicContact CB-CG 4.12Å; F77-M104 HydrophobicContact CB-SD 3.45Å; F77-M104 WeakPolarHBondContact CB-SD 3.48Å; F77-M104 HydrophobicContact CD2-CE 3.81Å; F77-M104 HydrophobicContact CD2-SD 4.04Å; F77-M104 HydrophobicContact CG-CE 4.2Å; F77-M104 HydrophobicContact CG-SD 3.81Å |
| 78 | E | 73.3 | Confident | 86.6 | Confident | 130 Ų | 130 | 52.8 Ų | 52.8 | 61% | 0.607 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 134.9 | 179.1 | -162.3 | 170.8 | -177.6 | 0 | 0 | 111.1 | A75 | A75-E78 HydrophobicContact CB-CB 3.84Å; A75-E78 HydrophobicContact CB-CG 4.3Å; A75-E78 VanDerWaalsContact CB-OE2 3.29Å; A75-E78 WeakPolarHBondContact CB-OE2 3.27Å; A75-E78 WeakPolarHBondContact O-CB 3.41Å; A75-E78 PolarHBondContact O-N 2.9Å |
| 79 | G | 69.8 | Low | 86.7 | Confident | 51 Ų | 51 | 52.5 Ų | 52.5 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | -14.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | F77 L81 | F77-G79 PolarHBondContact O-N 2.76Å; G79-L81 PolarHBondContact O-N 2.85Å |
| 80 | H | 80.9 | Confident | 86.8 | Confident | 23 Ų | 23 | 54.5 Ų | 54.5 | 11% | 0.106 | 27% | 0.274 | C | S | . | . | trans | -97.1 | 62.2 | 178.8 | -55.3 | -70.6 | 0 | 0 | 0 | 111.9 | L47 F77 D82 L83 | L47-H80 PolarHBondContact O-CE1 2.85Å; F77-H80 PolarHBondContact O-N 3.04Å; H80-D82 PolarHBondContact O-N 3.22Å; H80-L83 HydrophobicContact CB-CB 4.34Å; H80-L83 WeakPolarHBondContact O-CB 3.37Å; H80-L83 PolarHBondContact O-N 2.88Å | ||
| 81 | L | 79 | Confident | 87 | Confident | 98 Ų | 98 | 49.6 Ų | 49.6 | 51% | 0.513 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.7 | -173.7 | -60.9 | 176 | 0 | 0 | 0 | 113.6 | G79 G103 M106 | G79-L81 PolarHBondContact O-N 2.85Å; L81-G103 WeakPolarHBondContact CD2-O 3.4Å; L81-M106 WeakPolarHBondContact O-CB 3.36Å; L81-M106 WeakPolarHBondContact O-CG 3.44Å |
| 82 | D | 84.1 | Confident | 87.1 | Confident | 85 Ų | 85 | 45.7 Ų | 45.7 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 2.8 | -176.4 | -59 | -70.7 | 0 | 0 | 0 | 113.7 | V58 H80 L84 | V58-D82 HydrophobicContact CG1-CB 3.82Å; H80-D82 PolarHBondContact O-N 3.22Å; D82-L84 PolarHBondContact O-N 2.73Å; D82-L84 VanDerWaalsContact O-N 3.09Å |
| 83 | L | 89.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -65.2 | 113.5 | -179.6 | -164.7 | 74.2 | 0 | 0 | 0 | 110.8 | L59 L62 H80 L86 M104 L107 | L59-L83 HydrophobicContact CD2-CD1 4.27Å; L59-L83 HydrophobicContact CG-CD1 3.87Å; L62-L83 HydrophobicContact CB-CD1 3.75Å; L62-L83 HydrophobicContact CB-CD2 4.37Å; H80-L83 HydrophobicContact CB-CB 4.34Å; H80-L83 WeakPolarHBondContact O-CB 3.37Å; H80-L83 PolarHBondContact O-N 2.88Å; L83-L86 HydrophobicContact CD2-CB 4.1Å; L83-L86 HydrophobicContact CD2-CD1 4.35Å; L83-M104 HydrophobicContact CD2-SD 3.89Å; L83-L107 HydrophobicContact CD2-CD1 4.35Å; L83-L107 HydrophobicContact CG-CD1 4.34Å; L83-L107 VanDerWaalsContact O-CA 3.31Å; L83-L107 WeakPolarHBondContact O-CA 3.38Å; L83-L107 PolarHBondContact O-N 2.99Å | ||
| 84 | L | 93.3 | Very high | 87.5 | Confident | 45 Ų | 45 | 45 Ų | 45 | 24% | 0.236 | 24% | 0.239 | C | C | . | . | trans | -92.5 | -32.5 | -178.3 | -61.7 | -179.6 | 0 | 0 | 0 | 112.4 | E60 D82 M106 K108 V109 | E60-L84 HydrophobicContact CB-CD1 4.34Å; E60-L84 HydrophobicContact CB-CG 4.35Å; E60-L84 HydrophobicContact CG-CD1 4.31Å; E60-L84 HydrophobicContact CG-CG 4.43Å; E60-L84 PolarHBondContact O-N 3.36Å; D82-L84 PolarHBondContact O-N 2.73Å; D82-L84 VanDerWaalsContact O-N 3.09Å; L84-M106 HydrophobicContact CD2-CB 4.07Å; L84-K108 PolarHBondContact O-N 2.69Å; L84-V109 PolarHBondContact O-N 3.21Å; L84-V109 VanDerWaalsContact O-N 3.09Å | ||
| 85 | R | 96.9 | Very high | 88 | Confident | 83 Ų | 83 | 45 Ų | 45 | 31% | 0.313 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 126.2 | -176.2 | -178.7 | 172 | -145.6 | 129.5 | 9.6 | 111.6 | E60 Y61 L62 E87 V109 | E60-R85 PolarHBondContact O-N 2.88Å; E60-R85 VanDerWaalsContact O-N 3.08Å; Y61-R85 HydrophobicContact CD1-CB 3.65Å; Y61-R85 HydrophobicContact CD1-CG 4.3Å; Y61-R85 HydrophobicContact CE1-CB 4.14Å; L62-R85 PolarHBondContact N-O 3.48Å; R85-E87 HydrophobicContact CG-CG 4.08Å; R85-E87 IonicContact CZ-OE1 2.89Å; R85-E87 IonicContact NE-OE1 3.27Å; R85-E87 PolarHBondContact NE-OE1 3.15Å; R85-E87 IonicContact NH2-OE1 3.23Å; R85-V109 WeakPolarHBondContact CA-O 3.22Å; R85-V109 HydrophobicContact CB-CB 4.24Å; R85-V109 HydrophobicContact CG-CB 3.92Å; R85-V109 HydrophobicContact CG-CG1 4.08Å |
| 86 | L | 95.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 113.9 | 178 | 177.1 | 57 | 0 | 0 | 0 | 110.3 | L62 F77 L83 L88 F101 M104 L107 V109 L110 V111 | L62-L86 HydrophobicContact CB-CD1 4.17Å; L62-L86 HydrophobicContact CD2-CD1 3.77Å; L62-L86 HydrophobicContact CG-CD1 4.08Å; L62-L86 WeakPolarHBondContact O-CA 3.19Å; F77-L86 HydrophobicContact CD1-CD1 4.39Å; F77-L86 HydrophobicContact CD1-CD2 4.33Å; F77-L86 HydrophobicContact CD2-CD2 4.06Å; F77-L86 HydrophobicContact CE1-CD1 3.74Å; F77-L86 HydrophobicContact CE1-CD2 3.98Å; F77-L86 HydrophobicContact CE2-CD2 3.68Å; F77-L86 HydrophobicContact CG-CD2 4.38Å; F77-L86 HydrophobicContact CZ-CD1 4Å; F77-L86 HydrophobicContact CZ-CD2 3.65Å; F77-L86 HydrophobicContact CZ-CG 4.44Å; L83-L86 HydrophobicContact CD2-CB 4.1Å; L83-L86 HydrophobicContact CD2-CD1 4.35Å; L86-L88 HydrophobicContact CD1-CD1 4.15Å; L86-L88 HydrophobicContact CD1-CD2 4.07Å; L86-L88 HydrophobicContact CD1-CG 3.89Å; L86-L88 HydrophobicContact CD2-CD1 4.1Å; L86-L88 HydrophobicContact CG-CD1 4.07Å; L86-L88 HydrophobicContact CG-CG 4.08Å; L86-F101 HydrophobicContact CD2-CE1 4.33Å; L86-M104 HydrophobicContact CD2-CE 4.37Å; L86-M104 HydrophobicContact CD2-SD 4.36Å; L86-L107 HydrophobicContact CB-CD1 3.77Å; L86-L107 HydrophobicContact CB-CD2 4.4Å; L86-V109 PolarHBondContact N-O 3.15Å; L86-L110 HydrophobicContact CB-CD1 4.13Å; L86-L110 HydrophobicContact CD2-CD1 3.9Å; L86-L110 HydrophobicContact CG-CD1 3.97Å; L86-L110 WeakPolarHBondContact O-CA 3.26Å; L86-V111 PolarHBondContact O-N 3.23Å |
| 87 | E | 97 | Very high | 89.3 | Confident | 32 Ų | 32 | 43.4 Ų | 43.4 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.7 | 178.1 | -52.2 | -169.6 | 169.1 | 0 | 0 | 111.3 | L62 T63 I64 V65 R85 Y89 V111 | L62-E87 PolarHBondContact O-N 2.84Å; T63-E87 CarbonylContact C-O 3.5Å; T63-E87 WeakPolarHBondContact CA-O 3.01Å; T63-E87 HydrophobicContact CG2-CB 3.91Å; T63-E87 HydrophobicContact CG2-CG 3.99Å; I64-E87 PolarHBondContact N-O 3.12Å; V65-E87 HydrophobicContact CG1-CB 4.49Å; R85-E87 HydrophobicContact CG-CG 4.08Å; R85-E87 IonicContact CZ-OE1 2.89Å; R85-E87 IonicContact NE-OE1 3.27Å; R85-E87 PolarHBondContact NE-OE1 3.15Å; R85-E87 IonicContact NH2-OE1 3.23Å; E87-Y89 HydrophobicContact CB-CD1 4.02Å; E87-Y89 HydrophobicContact CB-CE1 4.08Å; E87-Y89 WeakPolarHBondContact OE2-CE1 3.04Å; E87-V111 HydrophobicContact CB-CB 4.2Å; E87-V111 HydrophobicContact CG-CB 4.07Å; E87-V111 HydrophobicContact CG-CG2 3.95Å |
| 88 | L | 95.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -125.3 | 24.5 | -176.5 | -64 | 173.4 | 0 | 0 | 0 | 112 | I44 I64 L72 F77 L86 N91 I93 V111 L112 N115 | I44-L88 HydrophobicContact CD1-CD2 3.88Å; I64-L88 HydrophobicContact CB-CD2 3.93Å; I64-L88 HydrophobicContact CD1-CD2 4.34Å; I64-L88 HydrophobicContact CG1-CD2 4.48Å; I64-L88 WeakPolarHBondContact O-CA 3.21Å; L72-L88 HydrophobicContact CD1-CD1 3.73Å; L72-L88 HydrophobicContact CD2-CD1 4.06Å; F77-L88 HydrophobicContact CE2-CD1 4.5Å; F77-L88 HydrophobicContact CZ-CD1 3.9Å; L86-L88 HydrophobicContact CD1-CD1 4.15Å; L86-L88 HydrophobicContact CD1-CD2 4.07Å; L86-L88 HydrophobicContact CD1-CG 3.89Å; L86-L88 HydrophobicContact CD2-CD1 4.1Å; L86-L88 HydrophobicContact CG-CD1 4.07Å; L86-L88 HydrophobicContact CG-CG 4.08Å; L88-N91 PolarHBondContact O-ND2 2.77Å; L88-I93 HydrophobicContact CB-CD1 4.12Å; L88-I93 HydrophobicContact CD1-CD1 4.49Å; L88-V111 PolarHBondContact N-O 2.72Å; L88-L112 HydrophobicContact CB-CD2 4.01Å; L88-L112 HydrophobicContact CD1-CD2 4.13Å; L88-N115 PolarHBondContact O-ND2 2.82Å | ||
| 89 | Y | 94.9 | Very high | 89.5 | Confident | 35 Ų | 35 | 40.8 Ų | 40.8 | 14% | 0.137 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 158.4 | -174.3 | 66.8 | -95.4 | 0 | 0 | 0 | 113.8 | V65 E66 E87 N91 V111 R113 | V65-Y89 WeakPolarHBondContact CA-O 3.1Å; V65-Y89 HydrophobicContact CB-CD2 4.33Å; V65-Y89 HydrophobicContact CB-CE1 4.3Å; V65-Y89 HydrophobicContact CB-CE2 3.99Å; V65-Y89 HydrophobicContact CG1-CD1 3.64Å; V65-Y89 HydrophobicContact CG1-CD2 4.18Å; V65-Y89 HydrophobicContact CG1-CE1 3.33Å; V65-Y89 HydrophobicContact CG1-CE2 3.91Å; V65-Y89 HydrophobicContact CG1-CG 4.04Å; V65-Y89 VanDerWaalsContact CG1-CZ 3.45Å; E66-Y89 PolarHBondContact N-O 2.78Å; E87-Y89 HydrophobicContact CB-CD1 4.02Å; E87-Y89 HydrophobicContact CB-CE1 4.08Å; E87-Y89 WeakPolarHBondContact OE2-CE1 3.04Å; Y89-N91 VanDerWaalsContact C-N 3.25Å; Y89-N91 PolarHBondContact O-N 2.62Å; Y89-N91 PolarHBondContact O-ND2 3.38Å; Y89-V111 HydrophobicContact CD1-CB 4.45Å; Y89-V111 HydrophobicContact CD1-CG1 3.74Å; Y89-V111 HydrophobicContact CG-CG1 4.28Å; Y89-R113 WeakPolarHBondContact CA-O 3.34Å; Y89-R113 WeakPolarHBondContact CB-O 3.39Å; Y89-R113 HydrophobicContact CG-CG 4.04Å |
| 90 | S | 95.8 | Very high | 90.4 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 30% | 0.301 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 35.4 | -177.4 | -59.9 | 0 | 0 | 0 | 0 | 113.2 | E66 R113 S114 | E66-S90 WeakPolarHBondContact CA-O 3.25Å; E66-S90 PolarHBondContact N-O 2.94Å; S90-R113 PolarHBondContact N-O 2.8Å; S90-R113 VanDerWaalsContact N-O 3.1Å; S90-S114 VanDerWaalsContact CA-O 3.26Å; S90-S114 WeakPolarHBondContact CA-O 3.47Å; S90-S114 PolarHBondContact N-O 3.3Å |
| 91 | N | 94.4 | Very high | 90.7 | Very high | 9 Ų | 9 | 37.3 Ų | 37.3 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -99.5 | -166.2 | 168.6 | -81.4 | -82 | 0 | 0 | 0 | 110.6 | I64 N67 I69 L88 Y89 I93 N115 | I64-N91 PolarHBondContact O-ND2 3.34Å; N67-N91 WeakPolarHBondContact CA-OD1 3.39Å; N67-N91 WeakPolarHBondContact CB-OD1 3.21Å; N67-N91 PolarHBondContact N-OD1 2.65Å; N67-N91 PolarHBondContact O-OD1 2.81Å; I69-N91 HydrophobicContact CB-CB 4.31Å; I69-N91 PolarHBondContact N-OD1 2.91Å; L88-N91 PolarHBondContact O-ND2 2.77Å; Y89-N91 VanDerWaalsContact C-N 3.25Å; Y89-N91 PolarHBondContact O-N 2.62Å; Y89-N91 PolarHBondContact O-ND2 3.38Å; N91-I93 HydrophobicContact CB-CD1 4.2Å; N91-I93 HydrophobicContact CB-CG1 3.91Å; N91-N115 VanDerWaalsContact CA-OD1 3.31Å; N91-N115 WeakPolarHBondContact CA-OD1 3.33Å; N91-N115 WeakPolarHBondContact CB-OD1 3Å; N91-N115 PolarHBondContact N-OD1 3.26Å; N91-N115 PolarHBondContact O-OD1 3.29Å |
| 92 | Q | 93.6 | Very high | 90.8 | Very high | 58 Ų | 58 | 35.8 Ų | 35.8 | 27% | 0.271 | 18% | 0.175 | S | C | . | . | trans | -112 | 27.7 | 177.1 | -58.7 | -178 | 25.5 | 0 | 0 | 111.4 | S68 I69 M70 V94 | S68-Q92 PolarHBondContact OG-NE2 2.77Å; I69-Q92 CarbonylContact O-C 3.48Å; I69-Q92 VanDerWaalsContact O-CA 3.3Å; I69-Q92 WeakPolarHBondContact O-CA 3.34Å; I69-Q92 PolarHBondContact O-N 3.18Å; M70-Q92 WeakPolarHBondContact CA-O 3.32Å; M70-Q92 HydrophobicContact CG-CB 4.19Å; Q92-V94 WeakPolarHBondContact O-CG2 3.31Å; Q92-V94 PolarHBondContact O-N 3.28Å; Q92-V94 VanDerWaalsContact O-N 3.16Å | ||
| 93 | I | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -67 | 118.5 | -170.1 | -55.6 | 170.1 | 0 | 0 | 0 | 108.9 | I69 M70 L72 L88 N91 I96 L112 N115 R116 L117 | I69-I93 HydrophobicContact CB-CG1 4.41Å; I69-I93 HydrophobicContact CG2-CG1 4.14Å; I69-I93 WeakPolarHBondContact O-CG1 3.36Å; I69-I93 PolarHBondContact O-N 3.27Å; M70-I93 WeakPolarHBondContact O-CA 3.41Å; L72-I93 HydrophobicContact CD1-CD1 4.4Å; L72-I93 HydrophobicContact CD2-CD1 4.28Å; L72-I93 HydrophobicContact CG-CD1 4.26Å; L72-I93 HydrophobicContact CG-CG2 4.42Å; L88-I93 HydrophobicContact CB-CD1 4.12Å; L88-I93 HydrophobicContact CD1-CD1 4.49Å; N91-I93 HydrophobicContact CB-CD1 4.2Å; N91-I93 HydrophobicContact CB-CG1 3.91Å; I93-I96 HydrophobicContact CG2-CD1 4.33Å; I93-I96 HydrophobicContact CG2-CG1 3.81Å; I93-L112 HydrophobicContact CD1-CD2 4.13Å; I93-N115 HydrophobicContact CB-CB 4.27Å; I93-N115 WeakPolarHBondContact CB-OD1 2.97Å; I93-N115 VanDerWaalsContact CG1-OD1 3.32Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.22Å; I93-N115 PolarHBondContact N-OD1 2.78Å; I93-R116 CarbonylContact O-C 3.57Å; I93-R116 WeakPolarHBondContact O-CA 3.4Å; I93-R116 PolarHBondContact O-N 2.7Å; I93-L117 HydrophobicContact CB-CD2 4.45Å; I93-L117 HydrophobicContact CG2-CD2 3.82Å; I93-L117 PolarHBondContact O-N 3.08Å | ||
| 94 | V | 91.5 | Very high | 89.8 | Confident | 71 Ų | 71 | 33.1 Ų | 33.1 | 43% | 0.43 | 17% | 0.168 | S | C | . | . | trans | -105 | -29.6 | 176.4 | -175.1 | 0 | 0 | 0 | 0 | 110.7 | M70 Q92 R116 | M70-V94 PolarHBondContact O-N 2.72Å; Q92-V94 WeakPolarHBondContact O-CG2 3.31Å; Q92-V94 PolarHBondContact O-N 3.28Å; Q92-V94 VanDerWaalsContact O-N 3.16Å; V94-R116 HydrophobicContact CG2-CB 3.93Å | ||
| 95 | W | 89.8 | Confident | 89.1 | Confident | 132 Ų | 132 | 33.4 Ų | 33.4 | 50% | 0.5 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 134.3 | -172.1 | -173.6 | 88.7 | 0 | 0 | 0 | 111.8 | R71 L72 S97 | R71-W95 VanDerWaalsContact CA-O 3.25Å; R71-W95 WeakPolarHBondContact CA-O 3.1Å; R71-W95 HydrophobicContact CB-CE3 4.18Å; L72-W95 PolarHBondContact N-O 2.83Å; L72-W95 WeakPolarHBondContact O-CZ3 3.26Å; W95-S97 VanDerWaalsContact CH2-CA 3.44Å; W95-S97 VanDerWaalsContact CH2-CB 3.42Å |
| 96 | I | 92.1 | Very high | 88.5 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.1 | 174 | -61.1 | -179.3 | 0 | 0 | 0 | 106.9 | L72 I93 A100 F101 L112 L117 L120 V124 | L72-I96 HydrophobicContact CB-CG1 4.33Å; L72-I96 HydrophobicContact CB-CG2 4.27Å; L72-I96 HydrophobicContact CD1-CD1 4.02Å; L72-I96 HydrophobicContact CD1-CG1 3.99Å; L72-I96 HydrophobicContact CD1-CG2 4.31Å; L72-I96 HydrophobicContact CG-CG1 4.24Å; I93-I96 HydrophobicContact CG2-CD1 4.33Å; I93-I96 HydrophobicContact CG2-CG1 3.81Å; I96-A100 HydrophobicContact CG2-CB 3.65Å; I96-F101 HydrophobicContact CD1-CZ 4.36Å; I96-F101 HydrophobicContact CG2-CE2 3.91Å; I96-F101 HydrophobicContact CG2-CZ 4.02Å; I96-L112 HydrophobicContact CD1-CD1 3.8Å; I96-L112 HydrophobicContact CD1-CD2 4.05Å; I96-L117 HydrophobicContact CD1-CD1 4.07Å; I96-L117 HydrophobicContact CD1-CD2 3.87Å; I96-L117 HydrophobicContact CG1-CD2 3.89Å; I96-L120 HydrophobicContact CB-CD2 4.41Å; I96-L120 HydrophobicContact CD1-CD2 3.91Å; I96-L120 HydrophobicContact CG1-CD2 4.45Å; I96-V124 HydrophobicContact CG2-CG2 3.8Å |
| 97 | S | 88.1 | Confident | 88.3 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 8% | 0.084 | 18% | 0.179 | C | C | . | . | trans | -60.2 | 142.3 | 171.8 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | L72 W95 E99 A100 | L72-S97 PolarHBondContact O-N 2.7Å; W95-S97 VanDerWaalsContact CH2-CA 3.44Å; W95-S97 VanDerWaalsContact CH2-CB 3.42Å; S97-E99 PolarHBondContact O-N 2.81Å; S97-E99 VanDerWaalsContact O-N 3.08Å; S97-E99 PolarHBondContact OG-N 2.66Å; S97-A100 WeakPolarHBondContact O-CB 3.05Å; S97-A100 PolarHBondContact O-N 3.42Å | ||
| 98 | V | 80.8 | Confident | 88.1 | Confident | 27 Ų | 27 | 35.4 Ų | 35.4 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -22.4 | 171.4 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | P121 D123 Y461 | V98-P121 HydrophobicContact CB-CB 4.05Å; V98-P121 HydrophobicContact CB-CG 4.28Å; V98-P121 HydrophobicContact CG2-CB 4.2Å; V98-D123 HydrophobicContact CG2-CB 4.26Å; V98-Y461 HydrophobicContact CB-CE2 4.05Å; V98-Y461 HydrophobicContact CG1-CD2 4.03Å; V98-Y461 HydrophobicContact CG1-CE2 3.24Å; V98-Y461 HydrophobicContact CG2-CD2 4.12Å; V98-Y461 HydrophobicContact CG2-CE1 4.29Å; V98-Y461 HydrophobicContact CG2-CE2 3.76Å |
| 99 | E | 82.7 | Confident | 88.2 | Confident | 50 Ų | 50 | 36 Ų | 36 | 23% | 0.234 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 10.7 | 178.5 | -61.3 | -178.8 | 133.1 | 0 | 0 | 113.3 | K74 A75 S97 F101 I102 | K74-E99 HydrophobicContact CB-CB 4.48Å; K74-E99 WeakPolarHBondContact CD-OE2 3.3Å; K74-E99 WeakPolarHBondContact CE-OE2 3.31Å; K74-E99 HydrophobicContact CG-CB 3.97Å; K74-E99 VanDerWaalsContact CG-OE2 3.29Å; K74-E99 WeakPolarHBondContact CG-OE2 3.35Å; K74-E99 IonicContact NZ-OE1 3.3Å; K74-E99 PolarHBondContact NZ-OE1 3.28Å; K74-E99 IonicContact NZ-OE2 3.85Å; K74-E99 PolarHBondContact NZ-OE2 3Å; A75-E99 PolarHBondContact N-O 2.82Å; S97-E99 PolarHBondContact O-N 2.81Å; S97-E99 VanDerWaalsContact O-N 3.08Å; S97-E99 PolarHBondContact OG-N 2.66Å; E99-F101 PolarHBondContact O-N 2.94Å; E99-I102 HydrophobicContact CB-CD1 3.54Å; E99-I102 HydrophobicContact CB-CG1 4.1Å; E99-I102 HydrophobicContact CG-CD1 3.71Å; E99-I102 PolarHBondContact O-N 3.05Å |
| 100 | A | 87.1 | Confident | 88.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L72 E73 I96 S97 | L72-A100 HydrophobicContact CB-CB 4.04Å; E73-A100 WeakPolarHBondContact O-CA 3.37Å; I96-A100 HydrophobicContact CG2-CB 3.65Å; S97-A100 WeakPolarHBondContact O-CB 3.05Å; S97-A100 PolarHBondContact O-N 3.42Å |
| 101 | F | 88.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 15.5 | -175.5 | -50.1 | -60.8 | 0 | 0 | 0 | 114.4 | L72 F77 L86 I96 E99 M104 L110 L112 V124 F125 V128 | L72-F101 HydrophobicContact CD1-CE1 4.12Å; L72-F101 HydrophobicContact CD1-CZ 4.18Å; F77-F101 HydrophobicContact CE2-CD1 4.5Å; F77-F101 HydrophobicContact CE2-CE1 4.46Å; L86-F101 HydrophobicContact CD2-CE1 4.33Å; I96-F101 HydrophobicContact CD1-CZ 4.36Å; I96-F101 HydrophobicContact CG2-CE2 3.91Å; I96-F101 HydrophobicContact CG2-CZ 4.02Å; E99-F101 PolarHBondContact O-N 2.94Å; F101-M104 HydrophobicContact CB-CE 3.51Å; F101-M104 HydrophobicContact CD1-CE 3.41Å; F101-M104 VanDerWaalsContact CD1-CE 3.41Å; F101-M104 HydrophobicContact CG-CE 3.92Å; F101-L110 HydrophobicContact CE1-CD1 4.13Å; F101-L110 HydrophobicContact CE1-CD2 4.02Å; F101-L110 HydrophobicContact CE2-CD2 4.02Å; F101-L110 HydrophobicContact CZ-CD1 4.39Å; F101-L110 HydrophobicContact CZ-CD2 3.72Å; F101-L112 HydrophobicContact CZ-CD1 4.21Å; F101-V124 HydrophobicContact CD2-CG2 4.25Å; F101-V124 HydrophobicContact CE2-CG2 4Å; F101-F125 HydrophobicContact CD2-CD1 4.31Å; F101-F125 HydrophobicContact CE2-CD1 4.1Å; F101-F125 AromaticContact CE2-CE1 3.85Å; F101-F125 HydrophobicContact CE2-CE1 3.85Å; F101-V128 HydrophobicContact CB-CG1 3.67Å; F101-V128 HydrophobicContact CB-CG2 4.32Å; F101-V128 HydrophobicContact CG-CG1 4.49Å |
| 102 | I | 79.4 | Confident | 88.3 | Confident | 67 Ų | 67 | 32.3 Ų | 32.3 | 34% | 0.344 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 139.1 | 172.3 | -67.9 | -176.1 | 0 | 0 | 0 | 109.4 | E99 P127 | E99-I102 HydrophobicContact CB-CD1 3.54Å; E99-I102 HydrophobicContact CB-CG1 4.1Å; E99-I102 HydrophobicContact CG-CD1 3.71Å; E99-I102 PolarHBondContact O-N 3.05Å; I102-P127 HydrophobicContact CG1-CB 4.47Å; I102-P127 HydrophobicContact CG1-CG 4.16Å |
| 103 | G | 71.8 | Confident | 88.3 | Confident | 29 Ų | 29 | 34 Ų | 34 | 30% | 0.299 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 14 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L81 P105 | L81-G103 WeakPolarHBondContact CD2-O 3.4Å; G103-P105 WeakPolarHBondContact O-CD 3.04Å |
| 104 | M | 81.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -119.4 | 62.2 | 173.8 | -60.8 | -175 | -69.5 | 0 | 0 | 112.3 | F77 L83 L86 F101 M106 L107 V128 | F77-M104 HydrophobicContact CB-CE 4.11Å; F77-M104 HydrophobicContact CB-CG 4.12Å; F77-M104 HydrophobicContact CB-SD 3.45Å; F77-M104 WeakPolarHBondContact CB-SD 3.48Å; F77-M104 HydrophobicContact CD2-CE 3.81Å; F77-M104 HydrophobicContact CD2-SD 4.04Å; F77-M104 HydrophobicContact CG-CE 4.2Å; F77-M104 HydrophobicContact CG-SD 3.81Å; L83-M104 HydrophobicContact CD2-SD 3.89Å; L86-M104 HydrophobicContact CD2-CE 4.37Å; L86-M104 HydrophobicContact CD2-SD 4.36Å; F101-M104 HydrophobicContact CB-CE 3.51Å; F101-M104 HydrophobicContact CD1-CE 3.41Å; F101-M104 VanDerWaalsContact CD1-CE 3.41Å; F101-M104 HydrophobicContact CG-CE 3.92Å; M104-M106 PolarHBondContact O-N 3.06Å; M104-L107 HydrophobicContact CB-CB 4.16Å; M104-L107 HydrophobicContact CE-CD2 4.22Å; M104-L107 PolarHBondContact O-N 2.78Å; M104-L107 HydrophobicContact SD-CD2 4.44Å; M104-V128 HydrophobicContact CB-CG1 4.26Å; M104-V128 HydrophobicContact CE-CG1 4.46Å | ||
| 105 | P | 78.1 | Confident | 88.6 | Confident | 51 Ų | 51 | 33.2 Ų | 33.2 | 33% | 0.331 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -10.4 | -174 | 32.7 | -37.4 | 0 | 0 | 0 | 113.6 | G103 T130 | G103-P105 WeakPolarHBondContact O-CD 3.04Å; P105-T130 WeakPolarHBondContact O-CG2 3.12Å; P105-T130 PolarHBondContact O-OG1 3.35Å |
| 106 | M | 84.5 | Confident | 88.8 | Confident | 92 Ų | 92 | 33.1 Ų | 33.1 | 45% | 0.453 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -4.8 | -179.5 | -61.8 | -62.9 | -72.6 | 0 | 0 | 112.8 | L81 L84 M104 K108 | L81-M106 WeakPolarHBondContact O-CB 3.36Å; L81-M106 WeakPolarHBondContact O-CG 3.44Å; L84-M106 HydrophobicContact CD2-CB 4.07Å; M104-M106 PolarHBondContact O-N 3.06Å; M106-K108 WeakPolarHBondContact O-CG 3.29Å; M106-K108 PolarHBondContact O-N 3.19Å; M106-K108 VanDerWaalsContact O-N 3.16Å |
| 107 | L | 92.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -61.9 | 120.5 | -174.3 | -167.4 | 70.6 | 0 | 0 | 0 | 110.5 | L83 L86 M104 L110 V128 T130 L131 | L83-L107 HydrophobicContact CD2-CD1 4.35Å; L83-L107 HydrophobicContact CG-CD1 4.34Å; L83-L107 VanDerWaalsContact O-CA 3.31Å; L83-L107 WeakPolarHBondContact O-CA 3.38Å; L83-L107 PolarHBondContact O-N 2.99Å; L86-L107 HydrophobicContact CB-CD1 3.77Å; L86-L107 HydrophobicContact CB-CD2 4.4Å; M104-L107 HydrophobicContact CB-CB 4.16Å; M104-L107 HydrophobicContact CE-CD2 4.22Å; M104-L107 PolarHBondContact O-N 2.78Å; M104-L107 HydrophobicContact SD-CD2 4.44Å; L107-L110 HydrophobicContact CD2-CB 4.21Å; L107-V128 HydrophobicContact CB-CG1 4.24Å; L107-V128 HydrophobicContact CD2-CG1 4.02Å; L107-T130 CarbonylContact O-C 3.51Å; L107-T130 PolarHBondContact O-OG1 3.32Å; L107-L131 HydrophobicContact CD2-CD2 4.11Å; L107-L131 HydrophobicContact CG-CD2 4.02Å; L107-L131 PolarHBondContact O-N 3.36Å | ||
| 108 | K | 92.9 | Very high | 88.9 | Confident | 65 Ų | 65 | 34.8 Ų | 34.8 | 28% | 0.283 | 18% | 0.183 | S | C | . | . | trans | -102.7 | -33.3 | -179.7 | -64.5 | -54.7 | -165.2 | 154.6 | 0 | 112.6 | L84 M106 T130 E132 E133 | L84-K108 PolarHBondContact O-N 2.69Å; M106-K108 WeakPolarHBondContact O-CG 3.29Å; M106-K108 PolarHBondContact O-N 3.19Å; M106-K108 VanDerWaalsContact O-N 3.16Å; K108-T130 WeakPolarHBondContact CD-O 3.42Å; K108-E132 HydrophobicContact CD-CG 4.09Å; K108-E132 WeakPolarHBondContact CD-OE1 3.5Å; K108-E132 WeakPolarHBondContact CE-OE1 3.23Å; K108-E132 IonicContact NZ-OE1 3.83Å; K108-E132 PolarHBondContact NZ-OE1 2.96Å; K108-E132 WeakPolarHBondContact O-CA 3.2Å; K108-E132 PolarHBondContact O-N 2.99Å; K108-E133 PolarHBondContact O-N 3.18Å | ||
| 109 | V | 96.4 | Very high | 89.2 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.085 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 123 | -175.3 | -179 | 0 | 0 | 0 | 0 | 110.2 | L84 R85 L86 V111 E133 | L84-V109 PolarHBondContact O-N 3.21Å; L84-V109 VanDerWaalsContact O-N 3.09Å; R85-V109 WeakPolarHBondContact CA-O 3.22Å; R85-V109 HydrophobicContact CB-CB 4.24Å; R85-V109 HydrophobicContact CG-CB 3.92Å; R85-V109 HydrophobicContact CG-CG1 4.08Å; L86-V109 PolarHBondContact N-O 3.15Å; V109-V111 HydrophobicContact CG1-CG2 3.91Å; V109-E133 WeakPolarHBondContact CA-O 3.46Å; V109-E133 HydrophobicContact CB-CB 4.44Å; V109-E133 HydrophobicContact CG1-CB 4.13Å; V109-E133 HydrophobicContact CG1-CG 4.22Å; V109-E133 HydrophobicContact CG2-CB 4.13Å |
| 110 | L | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 115 | 174.9 | 177.4 | 59.2 | 0 | 0 | 0 | 110.5 | L86 F101 L107 L112 F125 L131 E133 L134 D135 | L86-L110 HydrophobicContact CB-CD1 4.13Å; L86-L110 HydrophobicContact CD2-CD1 3.9Å; L86-L110 HydrophobicContact CG-CD1 3.97Å; L86-L110 WeakPolarHBondContact O-CA 3.26Å; F101-L110 HydrophobicContact CE1-CD1 4.13Å; F101-L110 HydrophobicContact CE1-CD2 4.02Å; F101-L110 HydrophobicContact CE2-CD2 4.02Å; F101-L110 HydrophobicContact CZ-CD1 4.39Å; F101-L110 HydrophobicContact CZ-CD2 3.72Å; L107-L110 HydrophobicContact CD2-CB 4.21Å; L110-L112 HydrophobicContact CD1-CD1 4.29Å; L110-L112 HydrophobicContact CD1-CG 4.13Å; L110-L112 HydrophobicContact CD2-CD1 4.02Å; L110-L112 HydrophobicContact CG-CD1 4.06Å; L110-L112 HydrophobicContact CG-CG 4.22Å; L110-F125 HydrophobicContact CD2-CD1 4.15Å; L110-F125 HydrophobicContact CD2-CE1 3.71Å; L110-L131 HydrophobicContact CB-CD1 4.21Å; L110-L131 HydrophobicContact CB-CD2 3.63Å; L110-L131 HydrophobicContact CD2-CD1 4.23Å; L110-E133 PolarHBondContact N-O 2.76Å; L110-L134 HydrophobicContact CB-CD1 4.17Å; L110-L134 HydrophobicContact CD2-CD1 3.99Å; L110-L134 HydrophobicContact CG-CD1 4.07Å; L110-L134 WeakPolarHBondContact O-CA 2.98Å; L110-D135 PolarHBondContact O-N 3.41Å |
| 111 | V | 96.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 108.7 | -178.5 | -173.5 | 0 | 0 | 0 | 0 | 110 | L86 E87 L88 Y89 V109 R113 D135 | L86-V111 PolarHBondContact O-N 3.23Å; E87-V111 HydrophobicContact CB-CB 4.2Å; E87-V111 HydrophobicContact CG-CB 4.07Å; E87-V111 HydrophobicContact CG-CG2 3.95Å; L88-V111 PolarHBondContact N-O 2.72Å; Y89-V111 HydrophobicContact CD1-CB 4.45Å; Y89-V111 HydrophobicContact CD1-CG1 3.74Å; Y89-V111 HydrophobicContact CG-CG1 4.28Å; V109-V111 HydrophobicContact CG1-CG2 3.91Å; V111-R113 HydrophobicContact CG1-CG 3.94Å; V111-D135 HydrophobicContact CG1-CB 4.07Å |
| 112 | L | 95.5 | Very high | 89 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -116.9 | 14.1 | 179.9 | -75.5 | 166 | 0 | 0 | 0 | 112.5 | L72 L88 I93 I96 F101 L110 N115 L117 D135 L136 N139 | L72-L112 HydrophobicContact CD1-CD2 4.43Å; L88-L112 HydrophobicContact CB-CD2 4.01Å; L88-L112 HydrophobicContact CD1-CD2 4.13Å; I93-L112 HydrophobicContact CD1-CD2 4.13Å; I96-L112 HydrophobicContact CD1-CD1 3.8Å; I96-L112 HydrophobicContact CD1-CD2 4.05Å; F101-L112 HydrophobicContact CZ-CD1 4.21Å; L110-L112 HydrophobicContact CD1-CD1 4.29Å; L110-L112 HydrophobicContact CD1-CG 4.13Å; L110-L112 HydrophobicContact CD2-CD1 4.02Å; L110-L112 HydrophobicContact CG-CD1 4.06Å; L110-L112 HydrophobicContact CG-CG 4.22Å; L112-N115 PolarHBondContact O-ND2 2.99Å; L112-L117 HydrophobicContact CB-CD1 4.26Å; L112-D135 CarbonylContact C-O 3.52Å; L112-D135 WeakPolarHBondContact CA-O 3.25Å; L112-D135 PolarHBondContact N-O 2.75Å; L112-L136 HydrophobicContact CB-CD2 3.89Å; L112-L136 HydrophobicContact CD1-CD2 3.98Å; L112-N139 PolarHBondContact O-ND2 3.12Å | ||
| 113 | R | 94.3 | Very high | 89 | Confident | 94 Ų | 94 | 41.2 Ų | 41.2 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | trans | -58.7 | 157.6 | -177.9 | 74.3 | -179 | -176.1 | -176.9 | -0.1 | 113.4 | Y89 S90 V111 N115 D135 S137 | Y89-R113 WeakPolarHBondContact CA-O 3.34Å; Y89-R113 WeakPolarHBondContact CB-O 3.39Å; Y89-R113 HydrophobicContact CG-CG 4.04Å; S90-R113 PolarHBondContact N-O 2.8Å; S90-R113 VanDerWaalsContact N-O 3.1Å; V111-R113 HydrophobicContact CG1-CG 3.94Å; R113-N115 VanDerWaalsContact C-N 3.3Å; R113-N115 PolarHBondContact O-N 3.29Å; R113-N115 PolarHBondContact O-ND2 2.04Å; R113-D135 WeakPolarHBondContact CD-OD2 3.2Å; R113-D135 PolarHBondContact N-O 2.65Å; R113-D135 VanDerWaalsContact N-O 3.14Å; R113-S137 CarbonylContact C-O 3.52Å; R113-S137 WeakPolarHBondContact CA-O 3.48Å; R113-S137 VanDerWaalsContact CB-O 3.27Å; R113-S137 WeakPolarHBondContact CB-O 3.02Å; R113-S137 WeakPolarHBondContact CB-OG 2.99Å | ||
| 114 | S | 96 | Very high | 89.7 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 30% | 0.301 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 56.7 | 41.2 | 175.1 | -55.6 | 0 | 0 | 0 | 0 | 113.3 | S90 S137 N138 | S90-S114 VanDerWaalsContact CA-O 3.26Å; S90-S114 WeakPolarHBondContact CA-O 3.47Å; S90-S114 PolarHBondContact N-O 3.3Å; S114-S137 PolarHBondContact N-O 3.34Å; S114-N138 WeakPolarHBondContact CA-O 3.31Å; S114-N138 PolarHBondContact N-O 3.36Å |
| 115 | N | 95.8 | Very high | 90.1 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.059 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -110.3 | -165.5 | 172.8 | -86.6 | -74.9 | 0 | 0 | 0 | 110 | L88 N91 I93 L112 R113 L117 N139 | L88-N115 PolarHBondContact O-ND2 2.82Å; N91-N115 VanDerWaalsContact CA-OD1 3.31Å; N91-N115 WeakPolarHBondContact CA-OD1 3.33Å; N91-N115 WeakPolarHBondContact CB-OD1 3Å; N91-N115 PolarHBondContact N-OD1 3.26Å; N91-N115 PolarHBondContact O-OD1 3.29Å; I93-N115 HydrophobicContact CB-CB 4.27Å; I93-N115 WeakPolarHBondContact CB-OD1 2.97Å; I93-N115 VanDerWaalsContact CG1-OD1 3.32Å; I93-N115 WeakPolarHBondContact CG1-OD1 3.22Å; I93-N115 PolarHBondContact N-OD1 2.78Å; L112-N115 PolarHBondContact O-ND2 2.99Å; R113-N115 VanDerWaalsContact C-N 3.3Å; R113-N115 PolarHBondContact O-N 3.29Å; R113-N115 PolarHBondContact O-ND2 2.04Å; N115-L117 HydrophobicContact CB-CD1 4.44Å; N115-L117 HydrophobicContact CB-CG 4.24Å; N115-N139 VanDerWaalsContact CA-OD1 3.25Å; N115-N139 WeakPolarHBondContact CA-OD1 2.91Å; N115-N139 WeakPolarHBondContact CB-OD1 3.5Å; N115-N139 PolarHBondContact N-OD1 3.25Å; N115-N139 PolarHBondContact O-OD1 3.28Å |
| 116 | R | 94.3 | Very high | 90.3 | Very high | 130 Ų | 130 | 41.3 Ų | 41.3 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | trans | -115.1 | 29.1 | 179.4 | -62.3 | -177.8 | -175.7 | 179.3 | 3 | 111.6 | I93 V94 A118 N139 | I93-R116 CarbonylContact O-C 3.57Å; I93-R116 WeakPolarHBondContact O-CA 3.4Å; I93-R116 PolarHBondContact O-N 2.7Å; V94-R116 HydrophobicContact CG2-CB 3.93Å; R116-A118 PolarHBondContact O-N 3.1Å; R116-A118 VanDerWaalsContact O-N 3.1Å; R116-N139 PolarHBondContact N-OD1 2.76Å | ||
| 117 | L | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -70 | 108.5 | -177.8 | -63.3 | 167.9 | 0 | 0 | 0 | 109.2 | I93 I96 L112 N115 L120 L136 N139 Q140 L141 | I93-L117 HydrophobicContact CB-CD2 4.45Å; I93-L117 HydrophobicContact CG2-CD2 3.82Å; I93-L117 PolarHBondContact O-N 3.08Å; I96-L117 HydrophobicContact CD1-CD1 4.07Å; I96-L117 HydrophobicContact CD1-CD2 3.87Å; I96-L117 HydrophobicContact CG1-CD2 3.89Å; L112-L117 HydrophobicContact CB-CD1 4.26Å; N115-L117 HydrophobicContact CB-CD1 4.44Å; N115-L117 HydrophobicContact CB-CG 4.24Å; L117-L120 HydrophobicContact CD1-CD2 4.33Å; L117-L120 HydrophobicContact CD2-CD2 4.28Å; L117-L136 HydrophobicContact CD1-CD2 4.29Å; L117-N139 HydrophobicContact CB-CB 4.21Å; L117-N139 WeakPolarHBondContact CB-OD1 3.39Å; L117-N139 PolarHBondContact N-OD1 2.8Å; L117-Q140 CarbonylContact O-C 3.46Å; L117-Q140 VanDerWaalsContact O-C 3.24Å; L117-Q140 WeakPolarHBondContact O-CA 3.13Å; L117-Q140 PolarHBondContact O-N 3.03Å; L117-L141 HydrophobicContact CB-CD2 4.07Å; L117-L141 WeakPolarHBondContact O-CD2 3.49Å; L117-L141 PolarHBondContact O-N 2.91Å; L117-L141 VanDerWaalsContact O-N 3.16Å | ||
| 118 | A | 89 | Confident | 90 | Very high | 49 Ų | 49 | 38.9 Ų | 38.9 | 41% | 0.405 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -93.8 | -23.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R116 Q140 | R116-A118 PolarHBondContact O-N 3.1Å; R116-A118 VanDerWaalsContact O-N 3.1Å; A118-Q140 WeakPolarHBondContact CA-O 3.38Å; A118-Q140 HydrophobicContact CB-CB 4.12Å |
| 119 | Y | 87 | Confident | 89.5 | Confident | 141 Ų | 141 | 40.8 Ų | 40.8 | 55% | 0.553 | 20% | 0.2 | S | C | * | . | trans | -145.7 | 144.1 | -177.1 | 174.6 | -95 | 0 | 0 | 0 | 109.8 | P121 | Y119-P121 HydrophobicContact CE1-CG 4.44Š| ||
| 120 | L | 88.9 | Confident | 88.9 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | trans | -126.1 | 138.8 | 168.7 | -74.4 | 170.8 | 0 | 0 | 0 | 108.4 | I96 L117 V124 F125 L136 L141 P145 | I96-L120 HydrophobicContact CB-CD2 4.41Å; I96-L120 HydrophobicContact CD1-CD2 3.91Å; I96-L120 HydrophobicContact CG1-CD2 4.45Å; L117-L120 HydrophobicContact CD1-CD2 4.33Å; L117-L120 HydrophobicContact CD2-CD2 4.28Å; L120-V124 HydrophobicContact CB-CG1 4.26Å; L120-F125 HydrophobicContact CD1-CE2 4.06Å; L120-F125 HydrophobicContact CD1-CZ 4.01Å; L120-L136 HydrophobicContact CD1-CD1 3.9Å; L120-L136 HydrophobicContact CD1-CD2 3.91Å; L120-L141 HydrophobicContact CD1-CD1 4.06Å; L120-L141 HydrophobicContact CD1-CD2 4.08Å; L120-L141 HydrophobicContact CG-CD2 3.95Å; L120-P145 HydrophobicContact CB-CB 4.35Å; L120-P145 HydrophobicContact CB-CG 3.92Å; L120-P145 HydrophobicContact CD1-CG 4.15Å | ||
| 121 | P | 85.4 | Confident | 88.6 | Confident | 22 Ų | 22 | 40.8 Ų | 40.8 | 14% | 0.143 | 20% | 0.2 | C | C | . | . | trans | -56.1 | 145.2 | 171.7 | -20.7 | 30.5 | 0 | 0 | 0 | 111.3 | V98 Y119 D123 V124 P145 | V98-P121 HydrophobicContact CB-CB 4.05Å; V98-P121 HydrophobicContact CB-CG 4.28Å; V98-P121 HydrophobicContact CG2-CB 4.2Å; Y119-P121 HydrophobicContact CE1-CG 4.44Å; P121-D123 VanDerWaalsContact C-N 3.25Å; P121-D123 PolarHBondContact O-N 2.79Å; P121-V124 HydrophobicContact CB-CB 4.12Å; P121-V124 HydrophobicContact CG-CB 4.27Å; P121-V124 HydrophobicContact CG-CG2 4.46Å; P121-V124 WeakPolarHBondContact O-CB 3.3Å; P121-V124 VanDerWaalsContact O-CG1 3.31Å; P121-V124 WeakPolarHBondContact O-CG1 3.49Å; P121-V124 PolarHBondContact O-N 3.49Å; P121-P145 WeakPolarHBondContact O-CB 3.49Å | ||
| 122 | Q | 78.9 | Confident | 88.2 | Confident | 58 Ų | 58 | 42.8 Ų | 42.8 | 27% | 0.271 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -36.8 | -175.6 | -66.1 | -63.3 | -12.4 | 0 | 0 | 112.5 | P145 F146 S147 | Q122-P145 VanDerWaalsContact OE1-CA 3.25Å; Q122-F146 HydrophobicContact CB-CD2 3.9Å; Q122-F146 HydrophobicContact CG-CD2 3.82Å; Q122-F146 HydrophobicContact CG-CE2 4.11Å; Q122-F146 VanDerWaalsContact OE1-CG 3.3Å; Q122-S147 WeakPolarHBondContact O-CA 3.32Å; Q122-S147 WeakPolarHBondContact O-CB 3.22Å; Q122-S147 PolarHBondContact O-N 2.86Å; Q122-S147 PolarHBondContact O-OG 2.91Å |
| 123 | D | 79 | Confident | 88.1 | Confident | 51 Ų | 51 | 44.2 Ų | 44.2 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 14.3 | -175.8 | -56.3 | -45.4 | 0 | 0 | 0 | 114.2 | V98 P121 F125 T126 | V98-D123 HydrophobicContact CG2-CB 4.26Å; P121-D123 VanDerWaalsContact C-N 3.25Å; P121-D123 PolarHBondContact O-N 2.79Å; D123-F125 VanDerWaalsContact C-N 3.26Å; D123-F125 PolarHBondContact O-N 3.33Å; D123-T126 WeakPolarHBondContact O-CB 3.49Å; D123-T126 PolarHBondContact O-N 2.78Å; D123-T126 PolarHBondContact O-OG1 3.15Å; D123-T126 VanDerWaalsContact O-OG1 3.08Å |
| 124 | V | 87.2 | Confident | 88 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -30.9 | -170.8 | 70.4 | 0 | 0 | 0 | 0 | 114 | I96 F101 L120 P121 S147 | I96-V124 HydrophobicContact CG2-CG2 3.8Å; F101-V124 HydrophobicContact CD2-CG2 4.25Å; F101-V124 HydrophobicContact CE2-CG2 4Å; L120-V124 HydrophobicContact CB-CG1 4.26Å; P121-V124 HydrophobicContact CB-CB 4.12Å; P121-V124 HydrophobicContact CG-CB 4.27Å; P121-V124 HydrophobicContact CG-CG2 4.46Å; P121-V124 WeakPolarHBondContact O-CB 3.3Å; P121-V124 VanDerWaalsContact O-CG1 3.31Å; P121-V124 WeakPolarHBondContact O-CG1 3.49Å; P121-V124 PolarHBondContact O-N 3.49Å; V124-S147 PolarHBondContact N-OG 3.27Å |
| 125 | F | 89.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -0.9 | -177.6 | -57.5 | -60.1 | 0 | 0 | 0 | 114.3 | F101 L110 L120 D123 P127 V128 L131 L134 L136 P145 S147 V148 L151 | F101-F125 HydrophobicContact CD2-CD1 4.31Å; F101-F125 HydrophobicContact CE2-CD1 4.1Å; F101-F125 AromaticContact CE2-CE1 3.85Å; F101-F125 HydrophobicContact CE2-CE1 3.85Å; L110-F125 HydrophobicContact CD2-CD1 4.15Å; L110-F125 HydrophobicContact CD2-CE1 3.71Å; L120-F125 HydrophobicContact CD1-CE2 4.06Å; L120-F125 HydrophobicContact CD1-CZ 4.01Å; D123-F125 VanDerWaalsContact C-N 3.26Å; D123-F125 PolarHBondContact O-N 3.33Å; F125-P127 VanDerWaalsContact C-CD 3.43Å; F125-P127 VanDerWaalsContact C-N 3.33Å; F125-V128 HydrophobicContact CB-CG2 4.12Å; F125-V128 HydrophobicContact CD1-CG2 4.15Å; F125-V128 CarbonylContact O-C 3.56Å; F125-V128 VanDerWaalsContact O-CG2 3.29Å; F125-V128 WeakPolarHBondContact O-CG2 3.42Å; F125-V128 PolarHBondContact O-N 3.21Å; F125-L131 HydrophobicContact CD1-CD1 4.4Å; F125-L134 HydrophobicContact CD2-CD2 4.06Å; F125-L134 HydrophobicContact CE1-CD1 3.95Å; F125-L134 HydrophobicContact CE1-CD2 4.35Å; F125-L134 HydrophobicContact CE2-CD2 3.75Å; F125-L134 HydrophobicContact CG-CD2 4.48Å; F125-L134 HydrophobicContact CZ-CD1 3.95Å; F125-L134 HydrophobicContact CZ-CD2 3.91Å; F125-L136 HydrophobicContact CE2-CD1 4.25Å; F125-L136 HydrophobicContact CZ-CD1 4.23Å; F125-L136 HydrophobicContact CZ-CD2 4.42Å; F125-P145 HydrophobicContact CD2-CG 4.36Å; F125-P145 HydrophobicContact CE2-CG 4.03Å; F125-S147 PolarHBondContact N-OG 2.99Å; F125-V148 HydrophobicContact CD2-CG2 3.85Å; F125-V148 HydrophobicContact CE2-CG2 4.03Å; F125-L151 HydrophobicContact CB-CD1 4.07Å; F125-L151 HydrophobicContact CB-CD2 4.07Å; F125-L151 HydrophobicContact CB-CG 4.31Å; F125-L151 HydrophobicContact CG-CD1 4.4Å |
| 126 | T | 81.7 | Confident | 87.8 | Confident | 83 Ų | 83 | 37.8 Ų | 37.8 | 51% | 0.509 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -54.5 | -39.1 | 179.4 | -53.8 | 0 | 0 | 0 | 0 | 113.6 | D123 V128 | D123-T126 WeakPolarHBondContact O-CB 3.49Å; D123-T126 PolarHBondContact O-N 2.78Å; D123-T126 PolarHBondContact O-OG1 3.15Å; D123-T126 VanDerWaalsContact O-OG1 3.08Å; T126-V128 VanDerWaalsContact C-N 3.3Å; T126-V128 PolarHBondContact O-N 3.08Å |
| 127 | P | 82.9 | Confident | 87.7 | Confident | 40 Ų | 40 | 32.3 Ų | 32.3 | 26% | 0.26 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -69.2 | -23 | 177.5 | -21.1 | 34.4 | 0 | 0 | 0 | 115 | I102 F125 | I102-P127 HydrophobicContact CG1-CB 4.47Å; I102-P127 HydrophobicContact CG1-CG 4.16Å; F125-P127 VanDerWaalsContact C-CD 3.43Å; F125-P127 VanDerWaalsContact C-N 3.33Å |
| 128 | V | 87.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -109.6 | 44.1 | -175.9 | -71.7 | 0 | 0 | 0 | 0 | 110.7 | F101 M104 L107 F125 T126 T130 L131 L151 | F101-V128 HydrophobicContact CB-CG1 3.67Å; F101-V128 HydrophobicContact CB-CG2 4.32Å; F101-V128 HydrophobicContact CG-CG1 4.49Å; M104-V128 HydrophobicContact CB-CG1 4.26Å; M104-V128 HydrophobicContact CE-CG1 4.46Å; L107-V128 HydrophobicContact CB-CG1 4.24Å; L107-V128 HydrophobicContact CD2-CG1 4.02Å; F125-V128 HydrophobicContact CB-CG2 4.12Å; F125-V128 HydrophobicContact CD1-CG2 4.15Å; F125-V128 CarbonylContact O-C 3.56Å; F125-V128 VanDerWaalsContact O-CG2 3.29Å; F125-V128 WeakPolarHBondContact O-CG2 3.42Å; F125-V128 PolarHBondContact O-N 3.21Å; T126-V128 VanDerWaalsContact C-N 3.3Å; T126-V128 PolarHBondContact O-N 3.08Å; V128-T130 PolarHBondContact O-N 2.78Å; V128-L131 HydrophobicContact CB-CD1 3.99Å; V128-L131 HydrophobicContact CB-CG 4.05Å; V128-L131 HydrophobicContact CG2-CD1 3.53Å; V128-L131 HydrophobicContact CG2-CG 4.16Å; V128-L131 WeakPolarHBondContact O-CB 3.5Å; V128-L131 VanDerWaalsContact O-CG 3.3Å; V128-L131 WeakPolarHBondContact O-CG 3.45Å; V128-L131 PolarHBondContact O-N 2.71Å; V128-L131 VanDerWaalsContact O-N 3.11Å; V128-L151 WeakPolarHBondContact O-CD2 3.42Å |
| 129 | Y | 82.3 | Confident | 87.9 | Confident | 106 Ų | 106 | 33.5 Ų | 33.5 | 42% | 0.416 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -18.6 | -177.7 | 66.5 | -88.2 | 0 | 0 | 0 | 113.8 | L131 Y153 | Y129-L131 VanDerWaalsContact C-N 3.3Å; Y129-L131 PolarHBondContact O-N 2.74Å; Y129-Y153 HydrophobicContact CD2-CE2 4.27Å; Y129-Y153 WeakPolarHBondContact O-CD2 3.29Å |
| 130 | T | 84.5 | Confident | 88.2 | Confident | 14 Ų | 14 | 32.1 Ų | 32.1 | 9% | 0.086 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -3 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 115.3 | P105 L107 K108 V128 E132 | P105-T130 WeakPolarHBondContact O-CG2 3.12Å; P105-T130 PolarHBondContact O-OG1 3.35Å; L107-T130 CarbonylContact O-C 3.51Å; L107-T130 PolarHBondContact O-OG1 3.32Å; K108-T130 WeakPolarHBondContact CD-O 3.42Å; V128-T130 PolarHBondContact O-N 2.78Å; T130-E132 PolarHBondContact O-N 3.06Å |
| 131 | L | 89.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -56.6 | 127.7 | -178.8 | -82 | 172.5 | 0 | 0 | 0 | 111.6 | L107 L110 F125 V128 Y129 L151 Y153 L154 | L107-L131 HydrophobicContact CD2-CD2 4.11Å; L107-L131 HydrophobicContact CG-CD2 4.02Å; L107-L131 PolarHBondContact O-N 3.36Å; L110-L131 HydrophobicContact CB-CD1 4.21Å; L110-L131 HydrophobicContact CB-CD2 3.63Å; L110-L131 HydrophobicContact CD2-CD1 4.23Å; F125-L131 HydrophobicContact CD1-CD1 4.4Å; V128-L131 HydrophobicContact CB-CD1 3.99Å; V128-L131 HydrophobicContact CB-CG 4.05Å; V128-L131 HydrophobicContact CG2-CD1 3.53Å; V128-L131 HydrophobicContact CG2-CG 4.16Å; V128-L131 WeakPolarHBondContact O-CB 3.5Å; V128-L131 VanDerWaalsContact O-CG 3.3Å; V128-L131 WeakPolarHBondContact O-CG 3.45Å; V128-L131 PolarHBondContact O-N 2.71Å; V128-L131 VanDerWaalsContact O-N 3.11Å; Y129-L131 VanDerWaalsContact C-N 3.3Å; Y129-L131 PolarHBondContact O-N 2.74Å; L131-L151 HydrophobicContact CB-CD1 4.31Å; L131-L151 HydrophobicContact CB-CD2 4.4Å; L131-L151 HydrophobicContact CD1-CD1 4.11Å; L131-Y153 CarbonylContact O-C 3.59Å; L131-Y153 VanDerWaalsContact O-C 3.25Å; L131-L154 HydrophobicContact CB-CD1 4.39Å; L131-L154 WeakPolarHBondContact O-CA 3.26Å; L131-L154 PolarHBondContact O-N 2.93Å | ||
| 132 | E | 89.5 | Confident | 88.5 | Confident | 49 Ų | 49 | 36.8 Ų | 36.8 | 23% | 0.229 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -101.2 | -26.3 | 173.2 | -66.7 | -177.4 | -154.7 | 0 | 0 | 111.9 | K108 T130 Y153 K155 R156 | K108-E132 HydrophobicContact CD-CG 4.09Å; K108-E132 WeakPolarHBondContact CD-OE1 3.5Å; K108-E132 WeakPolarHBondContact CE-OE1 3.23Å; K108-E132 IonicContact NZ-OE1 3.83Å; K108-E132 PolarHBondContact NZ-OE1 2.96Å; K108-E132 WeakPolarHBondContact O-CA 3.2Å; K108-E132 PolarHBondContact O-N 2.99Å; T130-E132 PolarHBondContact O-N 3.06Å; E132-Y153 WeakPolarHBondContact CA-O 3.32Å; E132-K155 HydrophobicContact CB-CD 4.34Å; E132-K155 HydrophobicContact CG-CD 4.46Å; E132-K155 WeakPolarHBondContact O-CA 3.34Å; E132-K155 WeakPolarHBondContact O-CB 3.25Å; E132-K155 PolarHBondContact O-N 3.02Å; E132-K155 IonicContact OE1-NZ 3.33Å; E132-K155 WeakPolarHBondContact OE2-CE 3.26Å; E132-K155 IonicContact OE2-NZ 2.91Å; E132-K155 PolarHBondContact OE2-NZ 3.25Å; E132-R156 PolarHBondContact O-N 2.87Å |
| 133 | E | 92.5 | Very high | 88.8 | Confident | 30 Ų | 30 | 39 Ų | 39 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 124.2 | 177.3 | -179.7 | 171 | 171.3 | 0 | 0 | 111.3 | K108 V109 L110 R156 | K108-E133 PolarHBondContact O-N 3.18Å; V109-E133 WeakPolarHBondContact CA-O 3.46Å; V109-E133 HydrophobicContact CB-CB 4.44Å; V109-E133 HydrophobicContact CG1-CB 4.13Å; V109-E133 HydrophobicContact CG1-CG 4.22Å; V109-E133 HydrophobicContact CG2-CB 4.13Å; L110-E133 PolarHBondContact N-O 2.76Å; E133-R156 WeakPolarHBondContact CA-O 3.32Å; E133-R156 HydrophobicContact CB-CB 4.25Å; E133-R156 HydrophobicContact CG-CB 3.98Å; E133-R156 IonicContact OE1-NE 3.38Å; E133-R156 IonicContact OE2-CZ 3.62Å; E133-R156 IonicContact OE2-NE 3.91Å; E133-R156 PolarHBondContact OE2-NE 2.93Å; E133-R156 IonicContact OE2-NH2 2.67Å; E133-R156 PolarHBondContact OE2-NH2 2.78Å |
| 134 | L | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 114.8 | 174.9 | 178.3 | 59.2 | 0 | 0 | 0 | 109.5 | L110 F125 L136 V148 L151 L154 R156 L157 S158 | L110-L134 HydrophobicContact CB-CD1 4.17Å; L110-L134 HydrophobicContact CD2-CD1 3.99Å; L110-L134 HydrophobicContact CG-CD1 4.07Å; L110-L134 WeakPolarHBondContact O-CA 2.98Å; F125-L134 HydrophobicContact CD2-CD2 4.06Å; F125-L134 HydrophobicContact CE1-CD1 3.95Å; F125-L134 HydrophobicContact CE1-CD2 4.35Å; F125-L134 HydrophobicContact CE2-CD2 3.75Å; F125-L134 HydrophobicContact CG-CD2 4.48Å; F125-L134 HydrophobicContact CZ-CD1 3.95Å; F125-L134 HydrophobicContact CZ-CD2 3.91Å; L134-L136 HydrophobicContact CD1-CD1 4.39Å; L134-L136 HydrophobicContact CD1-CD2 4.48Å; L134-L136 HydrophobicContact CD1-CG 4.1Å; L134-L136 HydrophobicContact CD2-CD1 3.95Å; L134-L136 HydrophobicContact CD2-CG 4.49Å; L134-L136 HydrophobicContact CG-CD1 4.08Å; L134-L136 HydrophobicContact CG-CG 4.08Å; L134-V148 HydrophobicContact CD2-CG2 4.23Å; L134-L151 HydrophobicContact CD2-CD1 3.98Å; L134-L154 HydrophobicContact CB-CD1 3.72Å; L134-R156 PolarHBondContact N-O 2.87Å; L134-L157 HydrophobicContact CB-CD1 4.11Å; L134-L157 HydrophobicContact CD2-CD1 3.98Å; L134-L157 HydrophobicContact CG-CD1 4.06Å; L134-L157 WeakPolarHBondContact O-CA 3.37Å; L134-S158 PolarHBondContact O-N 3.28Å |
| 135 | D | 93.5 | Very high | 88.8 | Confident | 13 Ų | 13 | 37.5 Ų | 37.5 | 7% | 0.07 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 108.6 | 176.7 | -171.1 | -3.9 | 0 | 0 | 0 | 111.7 | L110 V111 L112 R113 S137 S158 | L110-D135 PolarHBondContact O-N 3.41Å; V111-D135 HydrophobicContact CG1-CB 4.07Å; L112-D135 CarbonylContact C-O 3.52Å; L112-D135 WeakPolarHBondContact CA-O 3.25Å; L112-D135 PolarHBondContact N-O 2.75Å; R113-D135 WeakPolarHBondContact CD-OD2 3.2Å; R113-D135 PolarHBondContact N-O 2.65Å; R113-D135 VanDerWaalsContact N-O 3.14Å; D135-S137 WeakPolarHBondContact OD1-CB 3.39Å; D135-S137 PolarHBondContact OD1-N 2.83Å; D135-S137 PolarHBondContact OD1-OG 2.88Å; D135-S158 WeakPolarHBondContact OD1-CB 3.41Å |
| 136 | L | 93.1 | Very high | 88 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -112.9 | 12.3 | 177.7 | -69.8 | 170.3 | 0 | 0 | 0 | 111.9 | L112 L117 L120 F125 L134 N139 L141 S158 L159 N162 | L112-L136 HydrophobicContact CB-CD2 3.89Å; L112-L136 HydrophobicContact CD1-CD2 3.98Å; L117-L136 HydrophobicContact CD1-CD2 4.29Å; L120-L136 HydrophobicContact CD1-CD1 3.9Å; L120-L136 HydrophobicContact CD1-CD2 3.91Å; F125-L136 HydrophobicContact CE2-CD1 4.25Å; F125-L136 HydrophobicContact CZ-CD1 4.23Å; F125-L136 HydrophobicContact CZ-CD2 4.42Å; L134-L136 HydrophobicContact CD1-CD1 4.39Å; L134-L136 HydrophobicContact CD1-CD2 4.48Å; L134-L136 HydrophobicContact CD1-CG 4.1Å; L134-L136 HydrophobicContact CD2-CD1 3.95Å; L134-L136 HydrophobicContact CD2-CG 4.49Å; L134-L136 HydrophobicContact CG-CD1 4.08Å; L134-L136 HydrophobicContact CG-CG 4.08Å; L136-N139 PolarHBondContact O-ND2 3.22Å; L136-L141 HydrophobicContact CB-CD1 4.01Å; L136-L141 HydrophobicContact CD1-CD1 4.16Å; L136-L141 HydrophobicContact CD2-CD1 4.41Å; L136-L141 HydrophobicContact CG-CD1 4.44Å; L136-S158 CarbonylContact C-O 3.53Å; L136-S158 WeakPolarHBondContact CA-O 3.44Å; L136-S158 PolarHBondContact N-O 3.26Å; L136-L159 HydrophobicContact CB-CD2 3.94Å; L136-L159 HydrophobicContact CD1-CD2 4.07Å; L136-N162 PolarHBondContact O-ND2 2Å | ||
| 137 | S | 91.8 | Very high | 87.9 | Confident | 15 Ų | 15 | 40.1 Ų | 40.1 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | trans | -63.4 | 156.2 | -175.9 | 63.8 | 0 | 0 | 0 | 0 | 112.9 | R113 S114 D135 N139 S158 G160 | R113-S137 CarbonylContact C-O 3.52Å; R113-S137 WeakPolarHBondContact CA-O 3.48Å; R113-S137 VanDerWaalsContact CB-O 3.27Å; R113-S137 WeakPolarHBondContact CB-O 3.02Å; R113-S137 WeakPolarHBondContact CB-OG 2.99Å; S114-S137 PolarHBondContact N-O 3.34Å; D135-S137 WeakPolarHBondContact OD1-CB 3.39Å; D135-S137 PolarHBondContact OD1-N 2.83Å; D135-S137 PolarHBondContact OD1-OG 2.88Å; S137-N139 PolarHBondContact O-N 2.97Å; S137-N139 PolarHBondContact O-ND2 3.07Å; S137-S158 PolarHBondContact N-O 3.06Å; S137-G160 CarbonylContact C-O 3.5Å; S137-G160 WeakPolarHBondContact CA-O 3.5Å; S137-G160 VanDerWaalsContact CB-O 3.31Å; S137-G160 WeakPolarHBondContact CB-O 3.38Å | ||
| 138 | N | 93.9 | Very high | 87.9 | Confident | 64 Ų | 64 | 38.6 Ų | 38.6 | 34% | 0.342 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 55.8 | 47.8 | -179.3 | -51 | -62.3 | 0 | 0 | 0 | 113.3 | S114 G160 N161 | S114-N138 WeakPolarHBondContact CA-O 3.31Å; S114-N138 PolarHBondContact N-O 3.36Å; N138-G160 PolarHBondContact N-O 3.48Å; N138-N161 WeakPolarHBondContact OD1-CB 3.26Å; N138-N161 PolarHBondContact OD1-ND2 3.2Å |
| 139 | N | 94.4 | Very high | 87 | Confident | 10 Ų | 10 | 43.5 Ų | 43.5 | 5% | 0.053 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -118.7 | -163.7 | 171.8 | -85.1 | -77.9 | 0 | 0 | 0 | 109.4 | L112 N115 R116 L117 L136 S137 L141 N162 | L112-N139 PolarHBondContact O-ND2 3.12Å; N115-N139 VanDerWaalsContact CA-OD1 3.25Å; N115-N139 WeakPolarHBondContact CA-OD1 2.91Å; N115-N139 WeakPolarHBondContact CB-OD1 3.5Å; N115-N139 PolarHBondContact N-OD1 3.25Å; N115-N139 PolarHBondContact O-OD1 3.28Å; R116-N139 PolarHBondContact N-OD1 2.76Å; L117-N139 HydrophobicContact CB-CB 4.21Å; L117-N139 WeakPolarHBondContact CB-OD1 3.39Å; L117-N139 PolarHBondContact N-OD1 2.8Å; L136-N139 PolarHBondContact O-ND2 3.22Å; S137-N139 PolarHBondContact O-N 2.97Å; S137-N139 PolarHBondContact O-ND2 3.07Å; N139-L141 HydrophobicContact CB-CG 4.21Å; N139-N162 VanDerWaalsContact CA-OD1 3.24Å; N139-N162 WeakPolarHBondContact CA-OD1 3.36Å; N139-N162 WeakPolarHBondContact CB-OD1 3.37Å; N139-N162 PolarHBondContact N-OD1 2.88Å; N139-N162 PolarHBondContact O-OD1 2.87Å |
| 140 | Q | 93.6 | Very high | 86.3 | Confident | 113 Ų | 113 | 40.5 Ų | 40.5 | 53% | 0.528 | 21% | 0.205 | S | C | . | . | trans | -115.8 | 23.6 | 178.1 | -60.9 | -175.2 | 4.1 | 0 | 0 | 112.2 | L117 A118 K142 N162 | L117-Q140 CarbonylContact O-C 3.46Å; L117-Q140 VanDerWaalsContact O-C 3.24Å; L117-Q140 WeakPolarHBondContact O-CA 3.13Å; L117-Q140 PolarHBondContact O-N 3.03Å; A118-Q140 WeakPolarHBondContact CA-O 3.38Å; A118-Q140 HydrophobicContact CB-CB 4.12Å; Q140-K142 PolarHBondContact O-N 3.22Å; Q140-N162 PolarHBondContact N-OD1 2.68Å | ||
| 141 | L | 91.3 | Very high | 86 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | trans | -65.9 | 125 | -174.9 | -62.9 | 173.1 | 0 | 0 | 0 | 110.5 | L117 L120 L136 N139 N162 P163 I164 | L117-L141 HydrophobicContact CB-CD2 4.07Å; L117-L141 WeakPolarHBondContact O-CD2 3.49Å; L117-L141 PolarHBondContact O-N 2.91Å; L117-L141 VanDerWaalsContact O-N 3.16Å; L120-L141 HydrophobicContact CD1-CD1 4.06Å; L120-L141 HydrophobicContact CD1-CD2 4.08Å; L120-L141 HydrophobicContact CG-CD2 3.95Å; L136-L141 HydrophobicContact CB-CD1 4.01Å; L136-L141 HydrophobicContact CD1-CD1 4.16Å; L136-L141 HydrophobicContact CD2-CD1 4.41Å; L136-L141 HydrophobicContact CG-CD1 4.44Å; N139-L141 HydrophobicContact CB-CG 4.21Å; L141-N162 HydrophobicContact CB-CB 4.28Å; L141-N162 WeakPolarHBondContact CB-OD1 3.45Å; L141-N162 PolarHBondContact N-OD1 3.3Å; L141-P163 CarbonylContact O-C 3.57Å; L141-P163 VanDerWaalsContact O-CD 3.29Å; L141-P163 WeakPolarHBondContact O-CD 3.45Å; L141-I164 HydrophobicContact CB-CD1 4.32Å; L141-I164 WeakPolarHBondContact O-CD1 3.48Å | ||
| 142 | K | 88.5 | Confident | 85 | Confident | 125 Ų | 125 | 43.3 Ų | 43.3 | 54% | 0.543 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -93.8 | -23 | 171.4 | -65.6 | -179.2 | -178.2 | 177.7 | 0 | 112.6 | Q140 P163 H165 | Q140-K142 PolarHBondContact O-N 3.22Å; K142-P163 HydrophobicContact CG-CG 4.14Å; K142-H165 WeakPolarHBondContact O-CB 3.22Å; K142-H165 PolarHBondContact O-N 3.32Å |
| 143 | H | 84.6 | Confident | 84.3 | Confident | 104 Ų | 104 | 44.5 Ų | 44.5 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -133.8 | 148.7 | -175.9 | -56.6 | -72.4 | 0 | 0 | 0 | 109.9 | ||
| 144 | I | 83.1 | Confident | 83.6 | Confident | 18 Ų | 18 | 43.8 Ų | 43.8 | 9% | 0.092 | 22% | 0.218 | C | C | . | . | trans | -92.9 | 128.1 | 172.1 | -53.9 | 173.1 | 0 | 0 | 0 | 107 | V148 L159 I164 L170 F173 L177 | I144-V148 HydrophobicContact CG2-CB 4.03Å; I144-V148 HydrophobicContact CG2-CG1 4.26Å; I144-V148 HydrophobicContact CG2-CG2 4.03Å; I144-L159 HydrophobicContact CD1-CD1 3.53Å; I144-L159 HydrophobicContact CG1-CD1 3.92Å; I144-I164 HydrophobicContact CG1-CD1 4.32Å; I144-L170 HydrophobicContact CD1-CD1 4.32Å; I144-F173 HydrophobicContact CB-CE1 4.45Å; I144-F173 HydrophobicContact CD1-CD1 4.43Å; I144-F173 HydrophobicContact CD1-CE1 3.88Å; I144-F173 HydrophobicContact CG2-CE1 3.91Å; I144-F173 HydrophobicContact CG2-CZ 4.28Å; I144-L177 HydrophobicContact CD1-CD1 4.46Å | ||
| 145 | P | 84.1 | Confident | 82.9 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.019 | 24% | 0.244 | C | C | . | . | trans | -73.1 | 146.3 | -179.3 | 27.1 | -29.8 | 0 | 0 | 0 | 112 | L120 P121 Q122 F125 S147 V148 | L120-P145 HydrophobicContact CB-CB 4.35Å; L120-P145 HydrophobicContact CB-CG 3.92Å; L120-P145 HydrophobicContact CD1-CG 4.15Å; P121-P145 WeakPolarHBondContact O-CB 3.49Å; Q122-P145 VanDerWaalsContact OE1-CA 3.25Å; F125-P145 HydrophobicContact CD2-CG 4.36Å; F125-P145 HydrophobicContact CE2-CG 4.03Å; P145-S147 VanDerWaalsContact C-N 3.26Å; P145-S147 PolarHBondContact O-N 3.11Å; P145-V148 HydrophobicContact CG-CG2 3.91Å; P145-V148 WeakPolarHBondContact O-CB 3.32Å; P145-V148 WeakPolarHBondContact O-CG2 3.06Å; P145-V148 PolarHBondContact O-N 2.95Å | ||
| 146 | F | 73 | Confident | 82.4 | Confident | 131 Ų | 131 | 54.4 Ų | 54.4 | 58% | 0.575 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -57.6 | -33 | -176.9 | -62.5 | -45.2 | 0 | 0 | 0 | 113.6 | Q122 V148 E149 | Q122-F146 HydrophobicContact CB-CD2 3.9Å; Q122-F146 HydrophobicContact CG-CD2 3.82Å; Q122-F146 HydrophobicContact CG-CE2 4.11Å; Q122-F146 VanDerWaalsContact OE1-CG 3.3Å; F146-V148 PolarHBondContact O-N 2.89Å; F146-E149 VanDerWaalsContact O-CB 3.3Å; F146-E149 WeakPolarHBondContact O-CB 3.26Å; F146-E149 PolarHBondContact O-N 2.86Å |
| 147 | S | 79.5 | Confident | 82 | Confident | 7 Ų | 7 | 54.6 Ų | 54.6 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -58.4 | -20.6 | 176.5 | 47.5 | 0 | 0 | 0 | 0 | 114 | Q122 V124 F125 P145 E149 G150 L151 | Q122-S147 WeakPolarHBondContact O-CA 3.32Å; Q122-S147 WeakPolarHBondContact O-CB 3.22Å; Q122-S147 PolarHBondContact O-N 2.86Å; Q122-S147 PolarHBondContact O-OG 2.91Å; V124-S147 PolarHBondContact N-OG 3.27Å; F125-S147 PolarHBondContact N-OG 2.99Å; P145-S147 VanDerWaalsContact C-N 3.26Å; P145-S147 PolarHBondContact O-N 3.11Å; S147-E149 VanDerWaalsContact C-N 3.3Å; S147-G150 PolarHBondContact O-N 2.87Å; S147-G150 VanDerWaalsContact O-N 3.12Å; S147-L151 PolarHBondContact O-N 3Å |
| 148 | V | 82.5 | Confident | 81.9 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -66.7 | -33.4 | 173.4 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | F125 L134 I144 P145 F146 G150 L151 L154 L157 F173 | F125-V148 HydrophobicContact CD2-CG2 3.85Å; F125-V148 HydrophobicContact CE2-CG2 4.03Å; L134-V148 HydrophobicContact CD2-CG2 4.23Å; I144-V148 HydrophobicContact CG2-CB 4.03Å; I144-V148 HydrophobicContact CG2-CG1 4.26Å; I144-V148 HydrophobicContact CG2-CG2 4.03Å; P145-V148 HydrophobicContact CG-CG2 3.91Å; P145-V148 WeakPolarHBondContact O-CB 3.32Å; P145-V148 WeakPolarHBondContact O-CG2 3.06Å; P145-V148 PolarHBondContact O-N 2.95Å; F146-V148 PolarHBondContact O-N 2.89Å; V148-G150 PolarHBondContact O-N 3.07Å; V148-L151 PolarHBondContact O-N 3.21Å; V148-L154 HydrophobicContact CG1-CD2 4.18Å; V148-L157 HydrophobicContact CG1-CD1 4.36Å; V148-L157 HydrophobicContact CG1-CD2 3.69Å; V148-F173 HydrophobicContact CB-CZ 4.45Å; V148-F173 HydrophobicContact CG1-CZ 3.97Å |
| 149 | E | 69.8 | Low | 81.6 | Confident | 103 Ų | 103 | 52.1 Ų | 52.1 | 48% | 0.481 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -26.6 | 172.9 | -168.7 | 178.1 | -178.8 | 0 | 0 | 111.8 | F146 S147 F173 | F146-E149 VanDerWaalsContact O-CB 3.3Å; F146-E149 WeakPolarHBondContact O-CB 3.26Å; F146-E149 PolarHBondContact O-N 2.86Å; S147-E149 VanDerWaalsContact C-N 3.3Å; E149-F173 HydrophobicContact CB-CD2 4.01Å; E149-F173 HydrophobicContact CB-CE2 3.87Å; E149-F173 HydrophobicContact CG-CD2 4Å; E149-F173 HydrophobicContact CG-CE2 4.22Å |
| 150 | G | 67 | Low | 81.2 | Confident | 44 Ų | 44 | 52.2 Ų | 52.2 | 45% | 0.454 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -7.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S147 V148 I152 | S147-G150 PolarHBondContact O-N 2.87Å; S147-G150 VanDerWaalsContact O-N 3.12Å; V148-G150 PolarHBondContact O-N 3.07Å; G150-I152 VanDerWaalsContact C-N 3.28Å; G150-I152 PolarHBondContact O-N 2.76Å |
| 151 | L | 77.8 | Confident | 81 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | trans | -82.7 | 70.6 | 177.9 | -61.5 | -178.3 | 0 | 0 | 0 | 111 | F125 V128 L131 L134 S147 V148 Y153 L154 | F125-L151 HydrophobicContact CB-CD1 4.07Å; F125-L151 HydrophobicContact CB-CD2 4.07Å; F125-L151 HydrophobicContact CB-CG 4.31Å; F125-L151 HydrophobicContact CG-CD1 4.4Å; V128-L151 WeakPolarHBondContact O-CD2 3.42Å; L131-L151 HydrophobicContact CB-CD1 4.31Å; L131-L151 HydrophobicContact CB-CD2 4.4Å; L131-L151 HydrophobicContact CD1-CD1 4.11Å; L134-L151 HydrophobicContact CD2-CD1 3.98Å; S147-L151 PolarHBondContact O-N 3Å; V148-L151 PolarHBondContact O-N 3.21Å; L151-Y153 PolarHBondContact O-N 3.43Å; L151-Y153 VanDerWaalsContact O-N 3.1Å; L151-L154 HydrophobicContact CB-CB 3.89Å; L151-L154 HydrophobicContact CB-CD2 4.21Å; L151-L154 HydrophobicContact CB-CG 4.48Å; L151-L154 HydrophobicContact CD1-CD1 4.23Å; L151-L154 HydrophobicContact CD1-CD2 4.17Å; L151-L154 WeakPolarHBondContact O-CB 3.21Å; L151-L154 PolarHBondContact O-N 2.75Å | ||
| 152 | I | 68.3 | Low | 80.9 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 33% | 0.333 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -28.2 | -179.1 | 61.7 | -176.6 | 0 | 0 | 0 | 114.9 | G150 L154 L937 | G150-I152 VanDerWaalsContact C-N 3.28Å; G150-I152 PolarHBondContact O-N 2.76Å; I152-L154 VanDerWaalsContact C-N 3.33Å; I152-L937 HydrophobicContact CD1-CB 4.46Å; I152-L937 HydrophobicContact CD1-CD2 3.06Å; I152-L937 HydrophobicContact CD1-CG 4.01Å; I152-L937 HydrophobicContact CG1-CD2 4.35Å; I152-L937 HydrophobicContact CG2-CD2 4.34Å |
| 153 | Y | 74.9 | Confident | 81.1 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 29% | 0.286 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -2.3 | -178.8 | -67.8 | -72.5 | 0 | 0 | 0 | 112.9 | Y129 L131 E132 L151 K155 T936 | Y129-Y153 HydrophobicContact CD2-CE2 4.27Å; Y129-Y153 WeakPolarHBondContact O-CD2 3.29Å; L131-Y153 CarbonylContact O-C 3.59Å; L131-Y153 VanDerWaalsContact O-C 3.25Å; E132-Y153 WeakPolarHBondContact CA-O 3.32Å; L151-Y153 PolarHBondContact O-N 3.43Å; L151-Y153 VanDerWaalsContact O-N 3.1Å; Y153-K155 PolarHBondContact O-N 2.74Å; Y153-K155 VanDerWaalsContact O-N 3.13Å; Y153-T936 VanDerWaalsContact CE1-CB 3.44Å; Y153-T936 HydrophobicContact CE1-CG2 4.25Å; Y153-T936 WeakPolarHBondContact CE1-OG1 3.38Å; Y153-T936 PolarHBondContact OH-OG1 3.44Å |
| 154 | L | 78.8 | Confident | 81.3 | Confident | 15 Ų | 15 | 44.4 Ų | 44.4 | 8% | 0.079 | 23% | 0.226 | C | C | . | . | trans | -68.3 | 112.3 | -171.8 | -163.1 | 67.4 | 0 | 0 | 0 | 110.4 | L131 L134 V148 L151 I152 L157 V180 | L131-L154 HydrophobicContact CB-CD1 4.39Å; L131-L154 WeakPolarHBondContact O-CA 3.26Å; L131-L154 PolarHBondContact O-N 2.93Å; L134-L154 HydrophobicContact CB-CD1 3.72Å; V148-L154 HydrophobicContact CG1-CD2 4.18Å; L151-L154 HydrophobicContact CB-CB 3.89Å; L151-L154 HydrophobicContact CB-CD2 4.21Å; L151-L154 HydrophobicContact CB-CG 4.48Å; L151-L154 HydrophobicContact CD1-CD1 4.23Å; L151-L154 HydrophobicContact CD1-CD2 4.17Å; L151-L154 WeakPolarHBondContact O-CB 3.21Å; L151-L154 PolarHBondContact O-N 2.75Å; I152-L154 VanDerWaalsContact C-N 3.33Å; L154-L157 HydrophobicContact CD2-CB 3.92Å; L154-L157 HydrophobicContact CD2-CD1 4.25Å; L154-L157 HydrophobicContact CD2-CD2 4.35Å; L154-L157 HydrophobicContact CD2-CG 4.39Å; L154-V180 HydrophobicContact CB-CG1 4.16Å; L154-V180 HydrophobicContact CD2-CG1 3.91Å; L154-V180 HydrophobicContact CG-CG1 3.78Å; L154-V180 WeakPolarHBondContact O-CG1 3.43Å | ||
| 155 | K | 77.6 | Confident | 81.6 | Confident | 125 Ų | 125 | 46.2 Ų | 46.2 | 54% | 0.543 | 23% | 0.234 | S | C | . | . | trans | -94.5 | -27.5 | 177.3 | -62.9 | 174.1 | -176 | 165.1 | 0 | 112.3 | E132 Y153 | E132-K155 HydrophobicContact CB-CD 4.34Å; E132-K155 HydrophobicContact CG-CD 4.46Å; E132-K155 WeakPolarHBondContact O-CA 3.34Å; E132-K155 WeakPolarHBondContact O-CB 3.25Å; E132-K155 PolarHBondContact O-N 3.02Å; E132-K155 IonicContact OE1-NZ 3.33Å; E132-K155 WeakPolarHBondContact OE2-CE 3.26Å; E132-K155 IonicContact OE2-NZ 2.91Å; E132-K155 PolarHBondContact OE2-NZ 3.25Å; Y153-K155 PolarHBondContact O-N 2.74Å; Y153-K155 VanDerWaalsContact O-N 3.13Å | ||
| 156 | R | 82.5 | Confident | 81.7 | Confident | 112 Ų | 112 | 46 Ų | 46 | 42% | 0.423 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 118.6 | -178.2 | -71.4 | -170.6 | -72.8 | -82.1 | 0.8 | 110.7 | E132 E133 L134 | E132-R156 PolarHBondContact O-N 2.87Å; E133-R156 WeakPolarHBondContact CA-O 3.32Å; E133-R156 HydrophobicContact CB-CB 4.25Å; E133-R156 HydrophobicContact CG-CB 3.98Å; E133-R156 IonicContact OE1-NE 3.38Å; E133-R156 IonicContact OE2-CZ 3.62Å; E133-R156 IonicContact OE2-NE 3.91Å; E133-R156 PolarHBondContact OE2-NE 2.93Å; E133-R156 IonicContact OE2-NH2 2.67Å; E133-R156 PolarHBondContact OE2-NH2 2.78Å; L134-R156 PolarHBondContact N-O 2.87Å |
| 157 | L | 86.2 | Confident | 82.1 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 117.8 | 169.4 | 179.2 | 59.7 | 0 | 0 | 0 | 110 | L134 V148 L154 L159 L177 V180 | L134-L157 HydrophobicContact CB-CD1 4.11Å; L134-L157 HydrophobicContact CD2-CD1 3.98Å; L134-L157 HydrophobicContact CG-CD1 4.06Å; L134-L157 WeakPolarHBondContact O-CA 3.37Å; V148-L157 HydrophobicContact CG1-CD1 4.36Å; V148-L157 HydrophobicContact CG1-CD2 3.69Å; L154-L157 HydrophobicContact CD2-CB 3.92Å; L154-L157 HydrophobicContact CD2-CD1 4.25Å; L154-L157 HydrophobicContact CD2-CD2 4.35Å; L154-L157 HydrophobicContact CD2-CG 4.39Å; L157-L159 HydrophobicContact CD1-CD1 4.35Å; L157-L159 HydrophobicContact CD1-CD2 4.48Å; L157-L159 HydrophobicContact CD1-CG 4.06Å; L157-L159 HydrophobicContact CD2-CD1 3.71Å; L157-L159 HydrophobicContact CD2-CG 4.29Å; L157-L159 HydrophobicContact CG-CD1 3.94Å; L157-L159 HydrophobicContact CG-CG 3.96Å; L157-L177 HydrophobicContact CD2-CD2 3.57Å; L157-V180 HydrophobicContact CB-CG1 3.72Å; L157-V180 PolarHBondContact N-O 3.41Å |
| 158 | S | 88.1 | Confident | 81.9 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 108.6 | 176.3 | -70.2 | 0 | 0 | 0 | 0 | 110.2 | L134 D135 L136 S137 | L134-S158 PolarHBondContact O-N 3.28Å; D135-S158 WeakPolarHBondContact OD1-CB 3.41Å; L136-S158 CarbonylContact C-O 3.53Å; L136-S158 WeakPolarHBondContact CA-O 3.44Å; L136-S158 PolarHBondContact N-O 3.26Å; S137-S158 PolarHBondContact N-O 3.06Å |
| 159 | L | 87.9 | Confident | 81.1 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -115.6 | 3.2 | 177.6 | -72.6 | 166 | 0 | 0 | 0 | 113.4 | L136 I144 L157 N162 V187 | L136-L159 HydrophobicContact CB-CD2 3.94Å; L136-L159 HydrophobicContact CD1-CD2 4.07Å; I144-L159 HydrophobicContact CD1-CD1 3.53Å; I144-L159 HydrophobicContact CG1-CD1 3.92Å; L157-L159 HydrophobicContact CD1-CD1 4.35Å; L157-L159 HydrophobicContact CD1-CD2 4.48Å; L157-L159 HydrophobicContact CD1-CG 4.06Å; L157-L159 HydrophobicContact CD2-CD1 3.71Å; L157-L159 HydrophobicContact CD2-CG 4.29Å; L157-L159 HydrophobicContact CG-CD1 3.94Å; L157-L159 HydrophobicContact CG-CG 3.96Å; L159-N162 PolarHBondContact O-ND2 2.76Å; L159-V187 HydrophobicContact CB-CG1 4.39Å; L159-V187 HydrophobicContact CB-CG2 3.66Å | ||
| 160 | G | 85.6 | Confident | 81.4 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | trans | -53.6 | 150.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S137 N138 N162 | S137-G160 CarbonylContact C-O 3.5Å; S137-G160 WeakPolarHBondContact CA-O 3.5Å; S137-G160 VanDerWaalsContact CB-O 3.31Å; S137-G160 WeakPolarHBondContact CB-O 3.38Å; N138-G160 PolarHBondContact N-O 3.48Å; G160-N162 PolarHBondContact O-N 3.14Å; G160-N162 PolarHBondContact O-ND2 2.77Å | ||
| 161 | N | 89.2 | Confident | 81.6 | Confident | 127 Ų | 127 | 40.3 Ų | 40.3 | 68% | 0.679 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 57.1 | 43 | -178.4 | -58.5 | -26.9 | 0 | 0 | 0 | 114.1 | N138 | N138-N161 WeakPolarHBondContact OD1-CB 3.26Å; N138-N161 PolarHBondContact OD1-ND2 3.2Å |
| 162 | N | 91.1 | Very high | 80.9 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 8% | 0.075 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -119.5 | 147.3 | 166.3 | -79.9 | -82.6 | 0 | 0 | 0 | 109.5 | L136 N139 Q140 L141 L159 G160 I164 | L136-N162 PolarHBondContact O-ND2 2Å; N139-N162 VanDerWaalsContact CA-OD1 3.24Å; N139-N162 WeakPolarHBondContact CA-OD1 3.36Å; N139-N162 WeakPolarHBondContact CB-OD1 3.37Å; N139-N162 PolarHBondContact N-OD1 2.88Å; N139-N162 PolarHBondContact O-OD1 2.87Å; Q140-N162 PolarHBondContact N-OD1 2.68Å; L141-N162 HydrophobicContact CB-CB 4.28Å; L141-N162 WeakPolarHBondContact CB-OD1 3.45Å; L141-N162 PolarHBondContact N-OD1 3.3Å; L159-N162 PolarHBondContact O-ND2 2.76Å; G160-N162 PolarHBondContact O-N 3.14Å; G160-N162 PolarHBondContact O-ND2 2.77Å; N162-I164 HydrophobicContact CB-CD1 3.74Å; N162-I164 HydrophobicContact CB-CG1 3.82Å; N162-I164 PolarHBondContact O-N 2.75Å |
| 163 | P | 91.7 | Very high | 81 | Confident | 38 Ų | 38 | 42.7 Ų | 42.7 | 25% | 0.247 | 21% | 0.213 | C | C | . | . | trans | -76.7 | 54.3 | 176.9 | 34 | -37.3 | 0 | 0 | 0 | 112.4 | L141 K142 H165 H190 | L141-P163 CarbonylContact O-C 3.57Å; L141-P163 VanDerWaalsContact O-CD 3.29Å; L141-P163 WeakPolarHBondContact O-CD 3.45Å; K142-P163 HydrophobicContact CG-CG 4.14Å; P163-H165 PolarHBondContact O-N 3.03Å; P163-H190 HydrophobicContact CB-CB 4.32Å | ||
| 164 | I | 88.8 | Confident | 80.8 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -61.4 | 122.4 | -173 | -57.3 | -67 | 0 | 0 | 0 | 110.6 | L141 I144 N162 V187 H190 | L141-I164 HydrophobicContact CB-CD1 4.32Å; L141-I164 WeakPolarHBondContact O-CD1 3.48Å; I144-I164 HydrophobicContact CG1-CD1 4.32Å; N162-I164 HydrophobicContact CB-CD1 3.74Å; N162-I164 HydrophobicContact CB-CG1 3.82Å; N162-I164 PolarHBondContact O-N 2.75Å; I164-V187 HydrophobicContact CG1-CG1 4.32Å; I164-H190 WeakPolarHBondContact O-CB 3.43Å; I164-H190 PolarHBondContact O-N 3.41Å | ||
| 165 | H | 89.2 | Confident | 80.2 | Confident | 55 Ų | 55 | 41.3 Ų | 41.3 | 26% | 0.255 | 21% | 0.211 | S | C | . | . | B | Isolated β-bridge | trans | -79.9 | 126.9 | 164.1 | -175.6 | 63.1 | 0 | 0 | 0 | 108.2 | K142 P163 P167 S191 | K142-H165 WeakPolarHBondContact O-CB 3.22Å; K142-H165 PolarHBondContact O-N 3.32Å; P163-H165 PolarHBondContact O-N 3.03Å; H165-P167 WeakPolarHBondContact O-CD 3.32Å; H165-S191 CarbonylContact C-O 3.53Å; H165-S191 WeakPolarHBondContact CA-O 3.47Å; H165-S191 WeakPolarHBondContact CA-OG 3.19Å; H165-S191 WeakPolarHBondContact CB-OG 3.47Å; H165-S191 PolarHBondContact ND1-O 2.83Å; H165-S191 PolarHBondContact ND1-OG 2.92Å |
| 166 | C | 86.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -105.2 | 80.7 | 176.4 | -66.1 | 0 | 0 | 0 | 0 | 108.6 | C189 S191 P192 V195 W245 H247 | C166-C189 HydrophobicContact CB-CB 3.64Å; C166-C189 WeakPolarHBondContact CB-SG 3.46Å; C166-C189 WeakPolarHBondContact SG-CA 3.3Å; C166-C189 WeakPolarHBondContact SG-CB 3.16Å; C166-C189 CovalentContact SG-SG 2.02Å; C166-C189 PolarHBondContact SG-SG 2.73Å; C166-S191 PolarHBondContact N-O 3.32Å; C166-P192 WeakPolarHBondContact O-CD 3.49Å; C166-V195 HydrophobicContact CB-CG2 4.2Å; C166-W245 HydrophobicContact CB-CH2 3.83Å; C166-W245 HydrophobicContact CB-CZ3 3.67Å; C166-W245 WeakPolarHBondContact O-CZ3 3.41Å; C166-H247 PolarHBondContact O-NE2 3.08Å; C166-H247 VanDerWaalsContact O-NE2 3.08Å | ||
| 167 | P | 82.1 | Confident | 78.7 | Confident | 24 Ų | 24 | 33 Ų | 33 | 16% | 0.156 | 19% | 0.185 | C | C | . | . | trans | -77.5 | 177.5 | 178.6 | 39.8 | -42.7 | 0 | 0 | 0 | 110.5 | H165 E169 L170 W245 | H165-P167 WeakPolarHBondContact O-CD 3.32Å; P167-E169 WeakPolarHBondContact CB-OE2 3.34Å; P167-E169 HydrophobicContact CG-CB 4.33Å; P167-E169 PolarHBondContact O-N 2.8Å; P167-L170 HydrophobicContact CG-CB 4.44Å; P167-L170 WeakPolarHBondContact O-CB 3.4Å; P167-L170 PolarHBondContact O-N 2.93Å; P167-L170 VanDerWaalsContact O-N 3.1Å; P167-W245 WeakPolarHBondContact O-CZ3 3.24Å | ||
| 168 | C | 73.9 | Confident | 77.6 | Confident | 35 Ų | 35 | 36 Ų | 36 | 24% | 0.236 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -23.2 | 179.4 | -59.7 | 0 | 0 | 0 | 0 | 113.3 | L170 V171 C248 | C168-L170 PolarHBondContact O-N 3.2Å; C168-V171 WeakPolarHBondContact O-CB 3.4Å; C168-V171 WeakPolarHBondContact O-CG2 3.45Å; C168-V171 PolarHBondContact O-N 3.17Å; C168-C248 WeakPolarHBondContact CA-SG 3.08Å; C168-C248 HydrophobicContact CB-CB 3.87Å; C168-C248 WeakPolarHBondContact CB-SG 3.23Å; C168-C248 WeakPolarHBondContact SG-CA 3.25Å; C168-C248 WeakPolarHBondContact SG-CB 3.47Å; C168-C248 CovalentContact SG-SG 2.04Å; C168-C248 PolarHBondContact SG-SG 3.24Å |
| 169 | E | 67.3 | Low | 76.3 | Confident | 98 Ų | 98 | 41.5 Ų | 41.5 | 46% | 0.458 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -19.6 | 173.8 | -65.1 | 76.9 | -173.2 | 0 | 0 | 112.5 | P167 V171 R344 | P167-E169 WeakPolarHBondContact CB-OE2 3.34Å; P167-E169 HydrophobicContact CG-CB 4.33Å; P167-E169 PolarHBondContact O-N 2.8Å; E169-V171 VanDerWaalsContact C-N 3.27Å; E169-V171 PolarHBondContact O-N 3.22Å; E169-R344 IonicContact OE1-CZ 3Å; E169-R344 VanDerWaalsContact OE1-CZ 3.22Å; E169-R344 IonicContact OE1-NE 3.56Å; E169-R344 PolarHBondContact OE1-NE 3.19Å; E169-R344 IonicContact OE1-NH2 3.24Å; E169-R344 PolarHBondContact OE1-NH2 3.45Å |
| 170 | L | 75.3 | Confident | 75 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.079 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -82 | -6.8 | 179.9 | -143.5 | 99.5 | 0 | 0 | 0 | 112.8 | I144 P167 C168 F173 S174 L200 W245 | I144-L170 HydrophobicContact CD1-CD1 4.32Å; P167-L170 HydrophobicContact CG-CB 4.44Å; P167-L170 WeakPolarHBondContact O-CB 3.4Å; P167-L170 PolarHBondContact O-N 2.93Å; P167-L170 VanDerWaalsContact O-N 3.1Å; C168-L170 PolarHBondContact O-N 3.2Å; L170-F173 HydrophobicContact CD1-CD1 4.46Å; L170-F173 HydrophobicContact CG-CD1 4.36Å; L170-F173 PolarHBondContact O-N 2.8Å; L170-S174 VanDerWaalsContact O-CB 3.25Å; L170-S174 WeakPolarHBondContact O-CB 3.34Å; L170-S174 PolarHBondContact O-N 3.06Å; L170-L200 HydrophobicContact CD2-CD1 3.33Å; L170-L200 HydrophobicContact CD2-CD2 3.49Å; L170-L200 VanDerWaalsContact CD2-CD2 3.49Å; L170-L200 HydrophobicContact CD2-CG 4.02Å; L170-W245 HydrophobicContact CB-CH2 4.07Å; L170-W245 HydrophobicContact CD2-CH2 4.26Å |
| 171 | V | 71.2 | Confident | 73.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -44 | -172.8 | -179.4 | 0 | 0 | 0 | 0 | 111.4 | C168 E169 S174 L207 W245 F253 | C168-V171 WeakPolarHBondContact O-CB 3.4Å; C168-V171 WeakPolarHBondContact O-CG2 3.45Å; C168-V171 PolarHBondContact O-N 3.17Å; E169-V171 VanDerWaalsContact C-N 3.27Å; E169-V171 PolarHBondContact O-N 3.22Å; V171-S174 PolarHBondContact O-N 3.18Å; V171-S174 PolarHBondContact O-OG 3.06Å; V171-L207 HydrophobicContact CG1-CD1 4.03Å; V171-L207 HydrophobicContact CG1-CD2 3.32Å; V171-L207 HydrophobicContact CG1-CG 4.26Å; V171-W245 HydrophobicContact CG2-CB 4.27Å; V171-W245 HydrophobicContact CG2-CD2 3.4Å; V171-W245 HydrophobicContact CG2-CE3 3.81Å; V171-W245 HydrophobicContact CG2-CG 3.57Å; V171-W245 HydrophobicContact CG2-CH2 4.49Å; V171-W245 HydrophobicContact CG2-CZ2 4.12Å; V171-W245 HydrophobicContact CG2-CZ3 4.33Å; V171-F253 HydrophobicContact CB-CE1 3.67Å; V171-F253 HydrophobicContact CB-CZ 3.69Å; V171-F253 HydrophobicContact CG1-CD1 4.32Å; V171-F253 HydrophobicContact CG1-CE1 3.26Å; V171-F253 HydrophobicContact CG1-CZ 3.58Å; V171-F253 HydrophobicContact CG2-CE1 4.14Å; V171-F253 HydrophobicContact CG2-CZ 3.61Å |
| 172 | D | 63.1 | Low | 72 | Confident | 101 Ų | 101 | 40.5 Ų | 40.5 | 54% | 0.54 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.2 | -46 | 177.8 | -62.9 | -34.6 | 0 | 0 | 0 | 111.1 | S174 L175 | D172-S174 PolarHBondContact O-N 3Å; D172-L175 WeakPolarHBondContact O-CB 3.46Å; D172-L175 PolarHBondContact O-N 3.1Å |
| 173 | F | 69.5 | Low | 70.1 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 10% | 0.096 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -29.2 | 176.3 | -175.6 | -117.9 | 0 | 0 | 0 | 113 | I144 V148 E149 L170 L175 S176 L177 | I144-F173 HydrophobicContact CB-CE1 4.45Å; I144-F173 HydrophobicContact CD1-CD1 4.43Å; I144-F173 HydrophobicContact CD1-CE1 3.88Å; I144-F173 HydrophobicContact CG2-CE1 3.91Å; I144-F173 HydrophobicContact CG2-CZ 4.28Å; V148-F173 HydrophobicContact CB-CZ 4.45Å; V148-F173 HydrophobicContact CG1-CZ 3.97Å; E149-F173 HydrophobicContact CB-CD2 4.01Å; E149-F173 HydrophobicContact CB-CE2 3.87Å; E149-F173 HydrophobicContact CG-CD2 4Å; E149-F173 HydrophobicContact CG-CE2 4.22Å; L170-F173 HydrophobicContact CD1-CD1 4.46Å; L170-F173 HydrophobicContact CG-CD1 4.36Å; L170-F173 PolarHBondContact O-N 2.8Å; F173-L175 PolarHBondContact O-N 3.4Å; F173-S176 WeakPolarHBondContact O-CB 3.29Å; F173-S176 PolarHBondContact O-N 3.27Å; F173-L177 HydrophobicContact CD1-CD1 3.69Å; F173-L177 HydrophobicContact CD1-CD2 4.49Å; F173-L177 HydrophobicContact CD1-CG 3.92Å; F173-L177 HydrophobicContact CE1-CD1 3.48Å; F173-L177 VanDerWaalsContact CE1-CD1 3.48Å; F173-L177 HydrophobicContact CE1-CD2 3.64Å; F173-L177 HydrophobicContact CE1-CG 3.56Å; F173-L177 HydrophobicContact CE2-CD2 4.41Å; F173-L177 HydrophobicContact CE2-CG 4.44Å; F173-L177 HydrophobicContact CZ-CD1 4.26Å; F173-L177 HydrophobicContact CZ-CD2 3.59Å; F173-L177 HydrophobicContact CZ-CG 3.84Å; F173-L177 PolarHBondContact O-N 2.86Å |
| 174 | S | 71.6 | Confident | 68 | Low | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.9 | -30.2 | 178.3 | 77.9 | 0 | 0 | 0 | 0 | 112.6 | L170 V171 D172 A204 | L170-S174 VanDerWaalsContact O-CB 3.25Å; L170-S174 WeakPolarHBondContact O-CB 3.34Å; L170-S174 PolarHBondContact O-N 3.06Å; V171-S174 PolarHBondContact O-N 3.18Å; V171-S174 PolarHBondContact O-OG 3.06Å; D172-S174 PolarHBondContact O-N 3Å; S174-A204 WeakPolarHBondContact O-CB 3.42Å |
| 175 | L | 66.5 | Low | 66.3 | Low | 58 Ų | 58 | 54.7 Ų | 54.7 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.1 | -39.3 | 173.8 | -67.5 | 171.8 | 0 | 0 | 0 | 111.6 | D172 F173 M178 Y179 L207 R208 | D172-L175 WeakPolarHBondContact O-CB 3.46Å; D172-L175 PolarHBondContact O-N 3.1Å; F173-L175 PolarHBondContact O-N 3.4Å; L175-M178 WeakPolarHBondContact O-CB 3.08Å; L175-M178 PolarHBondContact O-N 3.27Å; L175-Y179 WeakPolarHBondContact O-CD2 3.33Å; L175-L207 HydrophobicContact CD1-CD2 3.92Å; L175-L207 HydrophobicContact CD2-CD2 4.02Å; L175-L207 HydrophobicContact CG-CD2 3.87Å; L175-R208 HydrophobicContact CD2-CB 4.13Å |
| 176 | S | 62.8 | Low | 65.1 | Low | 57 Ų | 57 | 60.7 Ų | 60.7 | 40% | 0.399 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.1 | -38.2 | 176.6 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | F173 M178 Y179 | F173-S176 WeakPolarHBondContact O-CB 3.29Å; F173-S176 PolarHBondContact O-N 3.27Å; S176-M178 VanDerWaalsContact C-N 3.26Å; S176-M178 PolarHBondContact O-N 3.34Å; S176-Y179 PolarHBondContact O-N 3.4Å |
| 177 | L | 66.1 | Low | 64.9 | Low | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.7 | -24.1 | 179.4 | -72.9 | 176.4 | 0 | 0 | 0 | 114.4 | I144 L157 F173 Y179 V180 E181 L200 | I144-L177 HydrophobicContact CD1-CD1 4.46Å; L157-L177 HydrophobicContact CD2-CD2 3.57Å; F173-L177 HydrophobicContact CD1-CD1 3.69Å; F173-L177 HydrophobicContact CD1-CD2 4.49Å; F173-L177 HydrophobicContact CD1-CG 3.92Å; F173-L177 HydrophobicContact CE1-CD1 3.48Å; F173-L177 VanDerWaalsContact CE1-CD1 3.48Å; F173-L177 HydrophobicContact CE1-CD2 3.64Å; F173-L177 HydrophobicContact CE1-CG 3.56Å; F173-L177 HydrophobicContact CE2-CD2 4.41Å; F173-L177 HydrophobicContact CE2-CG 4.44Å; F173-L177 HydrophobicContact CZ-CD1 4.26Å; F173-L177 HydrophobicContact CZ-CD2 3.59Å; F173-L177 HydrophobicContact CZ-CG 3.84Å; F173-L177 PolarHBondContact O-N 2.86Å; L177-Y179 PolarHBondContact O-N 2.71Å; L177-Y179 VanDerWaalsContact O-N 3.09Å; L177-V180 PolarHBondContact O-N 2.97Å; L177-V180 VanDerWaalsContact O-N 3.17Å; L177-E181 PolarHBondContact O-N 3.08Å; L177-L200 HydrophobicContact CD1-CD2 3.25Å; L177-L200 HydrophobicContact CD1-CG 4.26Å |
| 178 | M | 62.8 | Low | 65.1 | Low | 65 Ų | 65 | 62.3 Ų | 62.3 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23.9 | 177.6 | -67.6 | -171.7 | 68.7 | 0 | 0 | 113.4 | L175 S176 A204 | L175-M178 WeakPolarHBondContact O-CB 3.08Å; L175-M178 PolarHBondContact O-N 3.27Å; S176-M178 VanDerWaalsContact C-N 3.26Å; S176-M178 PolarHBondContact O-N 3.34Å; M178-A204 HydrophobicContact CG-CB 3.4Å; M178-A204 VanDerWaalsContact CG-CB 3.4Å; M178-A204 HydrophobicContact SD-CB 3.53Å; M178-A204 VanDerWaalsContact SD-CB 3.53Å |
| 179 | Y | 60.2 | Low | 65.8 | Low | 142 Ų | 142 | 60.6 Ų | 60.6 | 56% | 0.557 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -15.8 | -176.9 | -62.8 | -85.2 | 0 | 0 | 0 | 113.5 | L175 S176 L177 | L175-Y179 WeakPolarHBondContact O-CD2 3.33Å; S176-Y179 PolarHBondContact O-N 3.4Å; L177-Y179 PolarHBondContact O-N 2.71Å; L177-Y179 VanDerWaalsContact O-N 3.09Å |
| 180 | V | 61 | Low | 66.9 | Low | 27 Ų | 27 | 60.1 Ų | 60.1 | 16% | 0.164 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -16.6 | -171.4 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | L154 L157 L177 S182 | L154-V180 HydrophobicContact CB-CG1 4.16Å; L154-V180 HydrophobicContact CD2-CG1 3.91Å; L154-V180 HydrophobicContact CG-CG1 3.78Å; L154-V180 WeakPolarHBondContact O-CG1 3.43Å; L157-V180 HydrophobicContact CB-CG1 3.72Å; L157-V180 PolarHBondContact N-O 3.41Å; L177-V180 PolarHBondContact O-N 2.97Å; L177-V180 VanDerWaalsContact O-N 3.17Å; V180-S182 PolarHBondContact O-N 2.68Å |
| 181 | E | 58.4 | Low | 67.4 | Low | 38 Ų | 38 | 61 Ų | 61 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | trans | -79.8 | 116 | 179.4 | -83.9 | -170.4 | 152.6 | 0 | 0 | 113.1 | L177 V187 | L177-E181 PolarHBondContact O-N 3.08Å; E181-V187 WeakPolarHBondContact OE1-CB 3.12Å; E181-V187 WeakPolarHBondContact OE1-CG2 3.49Å | ||
| 182 | S | 52.4 | Low | 68.1 | Low | 53 Ų | 53 | 62.2 Ų | 62.2 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | trans | -55.8 | 135.7 | 162.6 | 161.3 | 0 | 0 | 0 | 0 | 110 | V180 S184 S185 | V180-S182 PolarHBondContact O-N 2.68Å; S182-S184 PolarHBondContact O-N 3.21Å; S182-S185 PolarHBondContact O-N 3.06Å; S182-S185 PolarHBondContact O-OG 3.48Å | ||
| 183 | K | 51.7 | Low | 69.2 | Low | 226 Ų | 226 | 61.9 Ų | 61.9 | 98% | 0.983 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 0.7 | 177.8 | -75.9 | -177.7 | 175.6 | 177.4 | 0 | 115.8 | ||
| 184 | S | 47.4 | Very low | 69.9 | Low | 104 Ų | 104 | 65.8 Ų | 65.8 | 73% | 0.727 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | -10.4 | -176.1 | -144 | 0 | 0 | 0 | 0 | 115.9 | S182 | S182-S184 PolarHBondContact O-N 3.21Š|
| 185 | S | 54.3 | Low | 70.7 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 15% | 0.147 | 34% | 0.342 | C | S | . | . | trans | -100 | 108.5 | 179.5 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | S182 V187 | S182-S185 PolarHBondContact O-N 3.06Å; S182-S185 PolarHBondContact O-OG 3.48Å; S185-V187 PolarHBondContact O-N 2.81Å; S185-V187 VanDerWaalsContact O-N 3.17Å | ||
| 186 | R | 64.5 | Low | 71.8 | Confident | 182 Ų | 182 | 69.2 Ų | 69.2 | 69% | 0.687 | 35% | 0.351 | S | S | * | . | trans | -83.4 | 72.2 | -179.7 | -59.3 | 175.7 | -171.7 | 172.3 | 2.4 | 111.8 | T188 | R186-T188 PolarHBondContact O-N 3.1Å; R186-T188 VanDerWaalsContact O-N 3.16Å | ||
| 187 | V | 80.2 | Confident | 73 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.024 | 36% | 0.362 | C | S | . | . | trans | -71.4 | 112.9 | 175 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | L159 I164 E181 S185 R199 L200 | L159-V187 HydrophobicContact CB-CG1 4.39Å; L159-V187 HydrophobicContact CB-CG2 3.66Å; I164-V187 HydrophobicContact CG1-CG1 4.32Å; E181-V187 WeakPolarHBondContact OE1-CB 3.12Å; E181-V187 WeakPolarHBondContact OE1-CG2 3.49Å; S185-V187 PolarHBondContact O-N 2.81Å; S185-V187 VanDerWaalsContact O-N 3.17Å; V187-R199 VanDerWaalsContact O-CA 3.32Å; V187-R199 WeakPolarHBondContact O-CA 3.44Å; V187-L200 PolarHBondContact O-N 3.16Å | ||
| 188 | T | 86.5 | Confident | 74 | Confident | 53 Ų | 53 | 73.5 Ų | 73.5 | 33% | 0.325 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -109.9 | 139.6 | 176.4 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | R186 H190 V198 R199 | R186-T188 PolarHBondContact O-N 3.1Å; R186-T188 VanDerWaalsContact O-N 3.16Å; T188-H190 PolarHBondContact O-N 3.05Å; T188-V198 WeakPolarHBondContact CA-O 3.31Å; T188-R199 HydrophobicContact CG2-CG 4.1Å |
| 189 | C | 88.6 | Confident | 74.9 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | trans | -67 | 126.8 | 173.1 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | C166 V195 R196 N197 V198 | C166-C189 HydrophobicContact CB-CB 3.64Å; C166-C189 WeakPolarHBondContact CB-SG 3.46Å; C166-C189 WeakPolarHBondContact SG-CA 3.3Å; C166-C189 WeakPolarHBondContact SG-CB 3.16Å; C166-C189 CovalentContact SG-SG 2.02Å; C166-C189 PolarHBondContact SG-SG 2.73Å; C189-V195 HydrophobicContact CB-CB 4.4Å; C189-V195 HydrophobicContact CB-CG2 3.96Å; C189-V195 VanDerWaalsContact CB-O 3.29Å; C189-V195 WeakPolarHBondContact CB-O 3.31Å; C189-R196 CarbonylContact O-C 3.53Å; C189-R196 VanDerWaalsContact O-CA 3.31Å; C189-R196 WeakPolarHBondContact O-CA 3.2Å; C189-N197 PolarHBondContact O-N 3.31Å; C189-V198 PolarHBondContact N-O 3.18Å | ||
| 190 | H | 91.6 | Very high | 75.9 | Confident | 88 Ų | 88 | 68.9 Ų | 68.9 | 41% | 0.407 | 35% | 0.348 | S | S | . | . | trans | -83.2 | -31.8 | 173.3 | -178.4 | 75.2 | 0 | 0 | 0 | 111.8 | P163 I164 T188 R196 | P163-H190 HydrophobicContact CB-CB 4.32Å; I164-H190 WeakPolarHBondContact O-CB 3.43Å; I164-H190 PolarHBondContact O-N 3.41Å; T188-H190 PolarHBondContact O-N 3.05Å; H190-R196 PolarHBondContact O-NE 3.36Å | ||
| 191 | S | 85.9 | Confident | 76.5 | Confident | 33 Ų | 33 | 69.5 Ų | 69.5 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -152.5 | 160.4 | -179.3 | 56.4 | 0 | 0 | 0 | 0 | 109.8 | H165 C166 | H165-S191 CarbonylContact C-O 3.53Å; H165-S191 WeakPolarHBondContact CA-O 3.47Å; H165-S191 WeakPolarHBondContact CA-OG 3.19Å; H165-S191 WeakPolarHBondContact CB-OG 3.47Å; H165-S191 PolarHBondContact ND1-O 2.83Å; H165-S191 PolarHBondContact ND1-OG 2.92Å; C166-S191 PolarHBondContact N-O 3.32Å |
| 192 | P | 84.9 | Confident | 77.6 | Confident | 26 Ų | 26 | 71 Ų | 71 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | S | Bend | cis | -71.4 | 168.5 | -4.8 | 33.5 | -35.6 | 0 | 0 | 0 | 112.2 | C166 Q194 V195 R196 H247 | C166-P192 WeakPolarHBondContact O-CD 3.49Å; P192-Q194 VanDerWaalsContact CB-OE1 3.31Å; P192-Q194 PolarHBondContact O-N 2.89Å; P192-Q194 VanDerWaalsContact O-N 3.08Å; P192-V195 HydrophobicContact CG-CG2 4.21Å; P192-V195 PolarHBondContact O-N 2.95Å; P192-V195 VanDerWaalsContact O-N 3.15Å; P192-R196 PolarHBondContact O-N 2.99Å; P192-H247 HydrophobicContact CG-CB 4.16Å; P192-H247 WeakPolarHBondContact CG-CD2 3.47Å; P192-H247 VanDerWaalsContact CG-CG 3.48Å; P192-H247 WeakPolarHBondContact CG-NE2 3.33Å |
| 193 | S | 86 | Confident | 79 | Confident | 94 Ų | 94 | 68.6 Ų | 68.6 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -57.7 | -27.9 | -167.8 | 51.6 | 0 | 0 | 0 | 0 | 114 | V195 R196 | S193-V195 VanDerWaalsContact C-N 3.3Å; S193-V195 PolarHBondContact O-N 3.03Å; S193-R196 WeakPolarHBondContact O-CB 3.17Å; S193-R196 PolarHBondContact O-N 3.2Å |
| 194 | Q | 85.3 | Confident | 80.2 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -68.8 | -25.6 | -177.9 | -56 | 87.3 | -23.2 | 0 | 0 | 113.6 | P192 P246 H247 | P192-Q194 VanDerWaalsContact CB-OE1 3.31Å; P192-Q194 PolarHBondContact O-N 2.89Å; P192-Q194 VanDerWaalsContact O-N 3.08Å; Q194-P246 HydrophobicContact CB-CG 3.94Å; Q194-H247 HydrophobicContact CB-CB 4.15Å; Q194-H247 HydrophobicContact CG-CB 4.04Å |
| 195 | V | 86.9 | Confident | 81.5 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -116.8 | 12 | 175.7 | -65.8 | 0 | 0 | 0 | 0 | 111.9 | C166 C189 P192 S193 N197 V198 L203 P246 H247 | C166-V195 HydrophobicContact CB-CG2 4.2Å; C189-V195 HydrophobicContact CB-CB 4.4Å; C189-V195 HydrophobicContact CB-CG2 3.96Å; C189-V195 VanDerWaalsContact CB-O 3.29Å; C189-V195 WeakPolarHBondContact CB-O 3.31Å; P192-V195 HydrophobicContact CG-CG2 4.21Å; P192-V195 PolarHBondContact O-N 2.95Å; P192-V195 VanDerWaalsContact O-N 3.15Å; S193-V195 VanDerWaalsContact C-N 3.3Å; S193-V195 PolarHBondContact O-N 3.03Å; V195-N197 PolarHBondContact O-N 2.88Å; V195-V198 HydrophobicContact CB-CB 4.39Å; V195-V198 HydrophobicContact CB-CG2 4.33Å; V195-V198 VanDerWaalsContact O-CB 3.25Å; V195-V198 WeakPolarHBondContact O-CB 3.21Å; V195-V198 WeakPolarHBondContact O-CG2 3.46Å; V195-V198 PolarHBondContact O-N 3.16Å; V195-L203 HydrophobicContact CB-CD1 4.14Å; V195-L203 HydrophobicContact CG1-CD1 4.1Å; V195-L203 HydrophobicContact CG1-CD2 3.97Å; V195-P246 HydrophobicContact CG1-CG 4.25Å; V195-H247 VanDerWaalsContact CG2-CE1 3.49Å; V195-H247 WeakPolarHBondContact CG2-CE1 3.29Å |
| 196 | R | 89.8 | Confident | 82.7 | Confident | 129 Ų | 129 | 59.5 Ų | 59.5 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 133.8 | 178.9 | 176.8 | 177.9 | -91.1 | -166.3 | -6.8 | 110.2 | C189 H190 P192 S193 V198 | C189-R196 CarbonylContact O-C 3.53Å; C189-R196 VanDerWaalsContact O-CA 3.31Å; C189-R196 WeakPolarHBondContact O-CA 3.2Å; H190-R196 PolarHBondContact O-NE 3.36Å; P192-R196 PolarHBondContact O-N 2.99Å; S193-R196 WeakPolarHBondContact O-CB 3.17Å; S193-R196 PolarHBondContact O-N 3.2Å; R196-V198 PolarHBondContact O-N 2.91Å |
| 197 | N | 87.8 | Confident | 83.1 | Confident | 120 Ų | 120 | 51 Ų | 51 | 64% | 0.642 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.2 | 7 | -176.1 | -57.7 | -32.8 | 0 | 0 | 0 | 115.4 | C189 V195 | C189-N197 PolarHBondContact O-N 3.31Å; V195-N197 PolarHBondContact O-N 2.88Å |
| 198 | V | 87.2 | Confident | 82.5 | Confident | 32 Ų | 32 | 55.1 Ų | 55.1 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | trans | -79.1 | 135.6 | 171.5 | -173.1 | 0 | 0 | 0 | 0 | 108.6 | T188 C189 V195 R196 D202 L203 | T188-V198 WeakPolarHBondContact CA-O 3.31Å; C189-V198 PolarHBondContact N-O 3.18Å; V195-V198 HydrophobicContact CB-CB 4.39Å; V195-V198 HydrophobicContact CB-CG2 4.33Å; V195-V198 VanDerWaalsContact O-CB 3.25Å; V195-V198 WeakPolarHBondContact O-CB 3.21Å; V195-V198 WeakPolarHBondContact O-CG2 3.46Å; V195-V198 PolarHBondContact O-N 3.16Å; R196-V198 PolarHBondContact O-N 2.91Å; V198-D202 HydrophobicContact CG1-CB 4.39Å; V198-L203 HydrophobicContact CB-CG 4.47Å; V198-L203 HydrophobicContact CG1-CD1 4.31Å; V198-L203 HydrophobicContact CG1-CD2 3.76Å; V198-L203 HydrophobicContact CG1-CG 3.72Å | ||
| 199 | R | 83.2 | Confident | 81.6 | Confident | 109 Ų | 109 | 56.2 Ų | 56.2 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -71.6 | 139 | 175.3 | -62.5 | 179.1 | -177.9 | 179.7 | 3.9 | 109.6 | V187 T188 S201 D202 L203 | V187-R199 VanDerWaalsContact O-CA 3.32Å; V187-R199 WeakPolarHBondContact O-CA 3.44Å; T188-R199 HydrophobicContact CG2-CG 4.1Å; R199-S201 VanDerWaalsContact C-N 3.25Å; R199-S201 PolarHBondContact O-N 2.98Å; R199-D202 HydrophobicContact CB-CB 4.35Å; R199-D202 WeakPolarHBondContact O-CB 3.41Å; R199-D202 PolarHBondContact O-N 3.33Å; R199-L203 PolarHBondContact O-N 2.02Å |
| 200 | L | 80.4 | Confident | 80.5 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.7 | -34.8 | -178.8 | -165.8 | 63.7 | 0 | 0 | 0 | 112.2 | L170 L177 V187 D202 L203 A204 W245 | L170-L200 HydrophobicContact CD2-CD1 3.33Å; L170-L200 HydrophobicContact CD2-CD2 3.49Å; L170-L200 VanDerWaalsContact CD2-CD2 3.49Å; L170-L200 HydrophobicContact CD2-CG 4.02Å; L177-L200 HydrophobicContact CD1-CD2 3.25Å; L177-L200 HydrophobicContact CD1-CG 4.26Å; V187-L200 PolarHBondContact O-N 3.16Å; L200-D202 VanDerWaalsContact C-N 3.26Å; L200-D202 PolarHBondContact O-N 2.86Å; L200-L203 HydrophobicContact CD1-CD1 4.3Å; L200-L203 PolarHBondContact O-N 2.78Å; L200-A204 PolarHBondContact O-N 2.86Å; L200-W245 HydrophobicContact CD1-CH2 3.73Å; L200-W245 HydrophobicContact CD1-CZ2 3.91Å |
| 201 | S | 74.6 | Confident | 79.1 | Confident | 39 Ų | 39 | 56.1 Ų | 56.1 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -54.3 | -38.1 | 169.3 | 63.1 | 0 | 0 | 0 | 0 | 113.7 | R199 G205 | R199-S201 VanDerWaalsContact C-N 3.25Å; R199-S201 PolarHBondContact O-N 2.98Å; S201-G205 PolarHBondContact O-N 3Å |
| 202 | D | 81.2 | Confident | 77.7 | Confident | 71 Ų | 71 | 60 Ų | 60 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -74.7 | -37.7 | -177.5 | -61.2 | -13 | 0 | 0 | 0 | 110.7 | V198 R199 L200 R206 | V198-D202 HydrophobicContact CG1-CB 4.39Å; R199-D202 HydrophobicContact CB-CB 4.35Å; R199-D202 WeakPolarHBondContact O-CB 3.41Å; R199-D202 PolarHBondContact O-N 3.33Å; L200-D202 VanDerWaalsContact C-N 3.26Å; L200-D202 PolarHBondContact O-N 2.86Å; D202-R206 WeakPolarHBondContact O-CB 3.49Å; D202-R206 WeakPolarHBondContact O-CD 3.41Å; D202-R206 WeakPolarHBondContact O-CG 3.25Å; D202-R206 PolarHBondContact O-N 2.96Å; D202-R206 VanDerWaalsContact O-N 3.14Å |
| 203 | L | 82.1 | Confident | 76.1 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 174.4 | -66.7 | 175.2 | 0 | 0 | 0 | 111.2 | V195 V198 R199 L200 R206 L207 P244 W245 | V195-L203 HydrophobicContact CB-CD1 4.14Å; V195-L203 HydrophobicContact CG1-CD1 4.1Å; V195-L203 HydrophobicContact CG1-CD2 3.97Å; V198-L203 HydrophobicContact CB-CG 4.47Å; V198-L203 HydrophobicContact CG1-CD1 4.31Å; V198-L203 HydrophobicContact CG1-CD2 3.76Å; V198-L203 HydrophobicContact CG1-CG 3.72Å; R199-L203 PolarHBondContact O-N 2.02Å; L200-L203 HydrophobicContact CD1-CD1 4.3Å; L200-L203 PolarHBondContact O-N 2.78Å; L203-R206 PolarHBondContact O-N 3.41Å; L203-L207 PolarHBondContact O-N 3.05Å; L203-P244 WeakPolarHBondContact CD2-O 3.46Å; L203-W245 HydrophobicContact CB-CZ2 3.74Å; L203-W245 HydrophobicContact CD1-CD2 4.22Å; L203-W245 HydrophobicContact CD1-CE3 4.32Å; L203-W245 HydrophobicContact CD1-CH2 3.71Å; L203-W245 HydrophobicContact CD1-CZ2 3.62Å; L203-W245 HydrophobicContact CD1-CZ3 4.09Å; L203-W245 HydrophobicContact CG-CZ2 4.28Å |
| 204 | A | 76.6 | Confident | 74.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S174 M178 L200 R206 L207 R208 | S174-A204 WeakPolarHBondContact O-CB 3.42Å; M178-A204 HydrophobicContact CG-CB 3.4Å; M178-A204 VanDerWaalsContact CG-CB 3.4Å; M178-A204 HydrophobicContact SD-CB 3.53Å; M178-A204 VanDerWaalsContact SD-CB 3.53Å; L200-A204 PolarHBondContact O-N 2.86Å; A204-R206 VanDerWaalsContact C-N 3.33Å; A204-R206 PolarHBondContact O-N 3.34Å; A204-L207 WeakPolarHBondContact O-CB 3.34Å; A204-L207 PolarHBondContact O-N 2.99Å; A204-R208 PolarHBondContact O-N 2.76Å |
| 205 | G | 73.6 | Confident | 72.8 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S201 T209 | S201-G205 PolarHBondContact O-N 3Å; G205-T209 PolarHBondContact O-N 3.37Å; G205-T209 VanDerWaalsContact O-N 3.16Å; G205-T209 PolarHBondContact O-OG1 3.02Å |
| 206 | R | 79.1 | Confident | 71.1 | Confident | 138 Ų | 138 | 66 Ų | 66 | 52% | 0.521 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 174.7 | -71.8 | 170.9 | -169 | -168.2 | 3.2 | 111.9 | D202 L203 A204 T209 L210 P244 | D202-R206 WeakPolarHBondContact O-CB 3.49Å; D202-R206 WeakPolarHBondContact O-CD 3.41Å; D202-R206 WeakPolarHBondContact O-CG 3.25Å; D202-R206 PolarHBondContact O-N 2.96Å; D202-R206 VanDerWaalsContact O-N 3.14Å; L203-R206 PolarHBondContact O-N 3.41Å; A204-R206 VanDerWaalsContact C-N 3.33Å; A204-R206 PolarHBondContact O-N 3.34Å; R206-T209 PolarHBondContact O-N 3Å; R206-L210 PolarHBondContact O-N 3.23Å; R206-P244 HydrophobicContact CB-CB 3.61Å; R206-P244 HydrophobicContact CB-CG 3.76Å |
| 207 | L | 74.2 | Confident | 69.3 | Low | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 175.9 | -176.1 | 73.2 | 0 | 0 | 0 | 112.2 | V171 L175 L203 A204 T209 L210 V211 W243 P244 | V171-L207 HydrophobicContact CG1-CD1 4.03Å; V171-L207 HydrophobicContact CG1-CD2 3.32Å; V171-L207 HydrophobicContact CG1-CG 4.26Å; L175-L207 HydrophobicContact CD1-CD2 3.92Å; L175-L207 HydrophobicContact CD2-CD2 4.02Å; L175-L207 HydrophobicContact CG-CD2 3.87Å; L203-L207 PolarHBondContact O-N 3.05Å; A204-L207 WeakPolarHBondContact O-CB 3.34Å; A204-L207 PolarHBondContact O-N 2.99Å; L207-T209 PolarHBondContact O-N 3.44Å; L207-L210 PolarHBondContact O-N 3.22Å; L207-L210 VanDerWaalsContact O-N 3.07Å; L207-V211 HydrophobicContact CD1-CG2 4.34Å; L207-V211 HydrophobicContact CG-CG2 4.23Å; L207-V211 WeakPolarHBondContact O-CG2 3.1Å; L207-V211 PolarHBondContact O-N 2.79Å; L207-W243 HydrophobicContact CD1-CH2 3.48Å; L207-W243 VanDerWaalsContact CD1-CH2 3.48Å; L207-W243 HydrophobicContact CD1-CZ2 4.01Å; L207-W243 HydrophobicContact CD1-CZ3 4.25Å; L207-P244 HydrophobicContact CB-CG 4.43Å |
| 208 | R | 68 | Low | 67.5 | Low | 89 Ų | 89 | 59.2 Ų | 59.2 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56 | -40.4 | 177.7 | -172.4 | 177.5 | -177.2 | -175.6 | 0.6 | 111.9 | L175 A204 N212 | L175-R208 HydrophobicContact CD2-CB 4.13Å; A204-R208 PolarHBondContact O-N 2.76Å; R208-N212 WeakPolarHBondContact O-CB 3.33Å; R208-N212 VanDerWaalsContact O-CG 3.23Å; R208-N212 PolarHBondContact O-N 2.77Å; R208-N212 VanDerWaalsContact O-N 3.07Å; R208-N212 PolarHBondContact O-ND2 3.19Å |
| 209 | T | 66.7 | Low | 65.9 | Low | 77 Ų | 77 | 60.7 Ų | 60.7 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.4 | -55 | 0 | 0 | 0 | 0 | 111.6 | G205 R206 L207 Q213 | G205-T209 PolarHBondContact O-N 3.37Å; G205-T209 VanDerWaalsContact O-N 3.16Å; G205-T209 PolarHBondContact O-OG1 3.02Å; R206-T209 PolarHBondContact O-N 3Å; L207-T209 PolarHBondContact O-N 3.44Å; T209-Q213 WeakPolarHBondContact O-CG 3.31Å; T209-Q213 PolarHBondContact O-N 3.18Å |
| 210 | L | 65.2 | Low | 64.5 | Low | 36 Ų | 36 | 58.7 Ų | 58.7 | 19% | 0.188 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.4 | -43.2 | 179.8 | -175.8 | 68 | 0 | 0 | 0 | 112.5 | R206 L207 N212 Q213 T214 L216 W243 P244 | R206-L210 PolarHBondContact O-N 3.23Å; L207-L210 PolarHBondContact O-N 3.22Å; L207-L210 VanDerWaalsContact O-N 3.07Å; L210-N212 VanDerWaalsContact C-N 3.35Å; L210-N212 PolarHBondContact O-N 2.95Å; L210-Q213 PolarHBondContact O-N 2.77Å; L210-T214 HydrophobicContact CD1-CG2 4.15Å; L210-T214 VanDerWaalsContact O-CG2 3.31Å; L210-T214 WeakPolarHBondContact O-CG2 2.94Å; L210-T214 PolarHBondContact O-N 2.84Å; L210-T214 PolarHBondContact O-OG1 3.44Å; L210-L216 HydrophobicContact CD2-CD1 4.04Å; L210-L216 HydrophobicContact CG-CD1 3.96Å; L210-W243 HydrophobicContact CD2-CD2 4.43Å; L210-W243 HydrophobicContact CD2-CE3 3.24Å; L210-W243 HydrophobicContact CD2-CH2 4.33Å; L210-W243 HydrophobicContact CD2-CZ3 3.21Å; L210-P244 HydrophobicContact CD2-CG 4.35Å |
| 211 | V | 62.9 | Low | 63 | Low | 49 Ų | 49 | 60.6 Ų | 60.6 | 30% | 0.297 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | L207 Q213 T214 | L207-V211 HydrophobicContact CD1-CG2 4.34Å; L207-V211 HydrophobicContact CG-CG2 4.23Å; L207-V211 WeakPolarHBondContact O-CG2 3.1Å; L207-V211 PolarHBondContact O-N 2.79Å; V211-Q213 PolarHBondContact O-N 2.78Å; V211-Q213 VanDerWaalsContact O-N 3.13Å; V211-T214 PolarHBondContact O-N 2.82Å |
| 212 | N | 56.4 | Low | 62.1 | Low | 115 Ų | 115 | 60.2 Ų | 60.2 | 62% | 0.615 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.3 | -21.7 | 177.8 | -76.6 | -9.2 | 0 | 0 | 0 | 114 | R208 L210 | R208-N212 WeakPolarHBondContact O-CB 3.33Å; R208-N212 VanDerWaalsContact O-CG 3.23Å; R208-N212 PolarHBondContact O-N 2.77Å; R208-N212 VanDerWaalsContact O-N 3.07Å; R208-N212 PolarHBondContact O-ND2 3.19Å; L210-N212 VanDerWaalsContact C-N 3.35Å; L210-N212 PolarHBondContact O-N 2.95Å |
| 213 | Q | 51.8 | Low | 60.8 | Low | 122 Ų | 122 | 60 Ų | 60 | 57% | 0.57 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -1.1 | -176.9 | -70.5 | 179.3 | -13.5 | 0 | 0 | 113.9 | T209 L210 V211 | T209-Q213 WeakPolarHBondContact O-CG 3.31Å; T209-Q213 PolarHBondContact O-N 3.18Å; L210-Q213 PolarHBondContact O-N 2.77Å; V211-Q213 PolarHBondContact O-N 2.78Å; V211-Q213 VanDerWaalsContact O-N 3.13Å |
| 214 | T | 51.2 | Low | 59.5 | Low | 16 Ų | 16 | 66.5 Ų | 66.5 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -142.1 | 162.2 | -168.7 | 62.3 | 0 | 0 | 0 | 0 | 112 | L210 V211 L216 P258 | L210-T214 HydrophobicContact CD1-CG2 4.15Å; L210-T214 VanDerWaalsContact O-CG2 3.31Å; L210-T214 WeakPolarHBondContact O-CG2 2.94Å; L210-T214 PolarHBondContact O-N 2.84Å; L210-T214 PolarHBondContact O-OG1 3.44Å; V211-T214 PolarHBondContact O-N 2.82Å; T214-L216 HydrophobicContact CG2-CD1 4.16Å; T214-L216 PolarHBondContact O-N 2.94Å; T214-L216 WeakPolarHBondContact OG1-CB 3.22Å; T214-L216 WeakPolarHBondContact OG1-CD1 3.25Å; T214-L216 WeakPolarHBondContact OG1-CG 3.19Å; T214-P258 HydrophobicContact CG2-CB 3.55Å; T214-P258 HydrophobicContact CG2-CG 4.08Å |
| 215 | R | 50 | Low | 58.6 | Low | 198 Ų | 198 | 70.7 Ų | 70.7 | 75% | 0.747 | 36% | 0.364 | S | S | * | . | trans | -81.6 | 27.5 | 170.2 | -65.6 | -175.2 | 176.8 | 176 | 0.9 | 113.1 | L217 L261 | R215-L217 PolarHBondContact O-N 2.81Å; R215-L261 HydrophobicContact CG-CD2 4.08Å | ||
| 216 | L | 51.8 | Low | 58 | Low | 16 Ų | 16 | 72.6 Ų | 72.6 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | trans | -74.6 | 89.2 | -174.8 | -75.8 | 170.7 | 0 | 0 | 0 | 111.4 | L210 T214 W243 P258 | L210-L216 HydrophobicContact CD2-CD1 4.04Å; L210-L216 HydrophobicContact CG-CD1 3.96Å; T214-L216 HydrophobicContact CG2-CD1 4.16Å; T214-L216 PolarHBondContact O-N 2.94Å; T214-L216 WeakPolarHBondContact OG1-CB 3.22Å; T214-L216 WeakPolarHBondContact OG1-CD1 3.25Å; T214-L216 WeakPolarHBondContact OG1-CG 3.19Å; L216-W243 HydrophobicContact CD1-CZ3 4.36Å; L216-P258 HydrophobicContact CD1-CG 4.43Å | ||
| 217 | L | 51 | Low | 56.8 | Low | 104 Ų | 104 | 68.1 Ų | 68.1 | 55% | 0.545 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -136.2 | 5.2 | 169.1 | -73.6 | 176.9 | 0 | 0 | 0 | 115.7 | R215 Y219 | R215-L217 PolarHBondContact O-N 2.81Å; L217-Y219 HydrophobicContact CB-CD1 4.28Å; L217-Y219 HydrophobicContact CB-CE1 3.57Å; L217-Y219 HydrophobicContact CD1-CE1 4.49Å; L217-Y219 WeakPolarHBondContact CD1-OH 3.34Å; L217-Y219 WeakPolarHBondContact O-CD1 3.36Å; L217-Y219 VanDerWaalsContact O-CE1 3.29Å; L217-Y219 WeakPolarHBondContact O-CE1 3.41Å; L217-Y219 PolarHBondContact O-N 2.89Å |
| 218 | G | 51.2 | Low | 55.9 | Low | 3 Ų | 3 | 73.9 Ų | 73.9 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 86.5 | -0.2 | 165 | 0 | 0 | 0 | 0 | 0 | 118.8 | G254 R345 | G218-G254 WeakPolarHBondContact CA-O 3.35Å; G218-G254 PolarHBondContact N-O 3.05Å; G218-R345 PolarHBondContact O-NH1 2.99Å |
| 219 | Y | 52.2 | Low | 55.3 | Low | 63 Ų | 63 | 79.3 Ų | 79.3 | 25% | 0.247 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 151.3 | 177.8 | 50.4 | -93.3 | 0 | 0 | 0 | 110.9 | L217 L331 T336 | L217-Y219 HydrophobicContact CB-CD1 4.28Å; L217-Y219 HydrophobicContact CB-CE1 3.57Å; L217-Y219 HydrophobicContact CD1-CE1 4.49Å; L217-Y219 WeakPolarHBondContact CD1-OH 3.34Å; L217-Y219 WeakPolarHBondContact O-CD1 3.36Å; L217-Y219 VanDerWaalsContact O-CE1 3.29Å; L217-Y219 WeakPolarHBondContact O-CE1 3.41Å; L217-Y219 PolarHBondContact O-N 2.89Å; Y219-L331 VanDerWaalsContact CB-CD1 3.49Å; Y219-L331 HydrophobicContact CD1-CD1 4.47Å; Y219-L331 HydrophobicContact CD2-CD1 3.79Å; Y219-L331 HydrophobicContact CG-CD1 3.68Å; Y219-T336 HydrophobicContact CD2-CG2 4.34Å; Y219-T336 HydrophobicContact CE2-CG2 3.8Å |
| 220 | Q | 54.6 | Low | 54.7 | Low | 66 Ų | 66 | 77.8 Ų | 77.8 | 31% | 0.308 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 112.8 | 171.7 | -80 | 178.4 | -6.6 | 0 | 0 | 109.7 | V230 W329 L331 | Q220-V230 VanDerWaalsContact OE1-CG1 3.22Å; Q220-W329 PolarHBondContact N-O 2.92Å; Q220-L331 PolarHBondContact O-N 3.06Å |
| 221 | A | 48.7 | Very low | 53.9 | Low | 43 Ų | 43 | 78.6 Ų | 78.6 | 36% | 0.355 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 112.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | T336 | A221-T336 HydrophobicContact CB-CG2 3.96Å |
| 222 | I | 56.3 | Low | 53.3 | Low | 31 Ų | 31 | 86 Ų | 86 | 16% | 0.159 | 42% | 0.422 | C | S | . | . | trans | -134.5 | 146.8 | -179.4 | 47.3 | 178.8 | 0 | 0 | 0 | 110.2 | R227 V230 I330 V333 | I222-R227 HydrophobicContact CD1-CB 4.49Å; I222-R227 HydrophobicContact CD1-CG 4.47Å; I222-V230 HydrophobicContact CD1-CB 4.14Å; I222-V230 HydrophobicContact CD1-CG1 4.39Å; I222-V230 HydrophobicContact CD1-CG2 4.04Å; I222-V230 HydrophobicContact CG2-CG2 4.35Å; I222-I330 HydrophobicContact CD1-CG2 3.68Å; I222-I330 HydrophobicContact CG1-CG2 3.67Å; I222-V333 WeakPolarHBondContact O-CG2 3.36Å | ||
| 223 | N | 53.9 | Low | 52.9 | Low | 67 Ų | 67 | 83.9 Ų | 83.9 | 36% | 0.358 | 42% | 0.416 | S | S | . | . | trans | -66.4 | 155.7 | 177.4 | 78.6 | 34.9 | 0 | 0 | 0 | 109.9 | A225 D226 R227 V333 | N223-A225 PolarHBondContact O-N 2.7Å; N223-A225 VanDerWaalsContact O-N 3.15Å; N223-A225 VanDerWaalsContact OD1-CA 3.32Å; N223-A225 WeakPolarHBondContact OD1-CA 3.24Å; N223-A225 WeakPolarHBondContact OD1-CB 3.47Å; N223-A225 PolarHBondContact OD1-N 3.36Å; N223-D226 PolarHBondContact ND2-OD2 3.06Å; N223-D226 PolarHBondContact O-N 3.35Å; N223-D226 WeakPolarHBondContact OD1-CB 3.12Å; N223-D226 PolarHBondContact OD1-N 3.19Å; N223-D226 PolarHBondContact OD1-OD2 2.71Å; N223-R227 PolarHBondContact O-N 2.89Å; N223-V333 HydrophobicContact CB-CG2 3.94Å; N223-V333 VanDerWaalsContact N-CG2 3.32Å | ||
| 224 | N | 55.1 | Low | 52.2 | Low | 136 Ų | 136 | 86 Ų | 86 | 73% | 0.727 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.7 | -179.4 | -82.7 | -15.1 | 0 | 0 | 0 | 113.2 | ||
| 225 | A | 56.9 | Low | 51.6 | Low | 88 Ų | 88 | 91.2 Ų | 91.2 | 73% | 0.727 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -29.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N223 | N223-A225 PolarHBondContact O-N 2.7Å; N223-A225 VanDerWaalsContact O-N 3.15Å; N223-A225 VanDerWaalsContact OD1-CA 3.32Å; N223-A225 WeakPolarHBondContact OD1-CA 3.24Å; N223-A225 WeakPolarHBondContact OD1-CB 3.47Å; N223-A225 PolarHBondContact OD1-N 3.36Å |
| 226 | D | 60.3 | Low | 50.6 | Low | 64 Ų | 64 | 92 Ų | 92 | 34% | 0.342 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -6.9 | -175.6 | -70 | -37.6 | 0 | 0 | 0 | 113.2 | N223 N228 R229 V230 | N223-D226 PolarHBondContact ND2-OD2 3.06Å; N223-D226 PolarHBondContact O-N 3.35Å; N223-D226 WeakPolarHBondContact OD1-CB 3.12Å; N223-D226 PolarHBondContact OD1-N 3.19Å; N223-D226 PolarHBondContact OD1-OD2 2.71Å; D226-N228 VanDerWaalsContact C-N 3.26Å; D226-N228 PolarHBondContact O-N 3.48Å; D226-R229 PolarHBondContact O-N 3.42Å; D226-V230 PolarHBondContact O-N 2.71Å |
| 227 | R | 54.2 | Low | 49.7 | Very low | 43 Ų | 43 | 99.1 Ų | 99.1 | 16% | 0.162 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -55.2 | -37.2 | -176.2 | -166.9 | 169.6 | 171.5 | -151.8 | -9.6 | 113.5 | I222 N223 I330 S360 T362 E375 | I222-R227 HydrophobicContact CD1-CB 4.49Å; I222-R227 HydrophobicContact CD1-CG 4.47Å; N223-R227 PolarHBondContact O-N 2.89Å; R227-I330 HydrophobicContact CG-CG2 4.46Å; R227-S360 PolarHBondContact NH1-OG 2.8Å; R227-S360 PolarHBondContact NH2-OG 3.35Å; R227-T362 PolarHBondContact NE-OG1 3.4Å; R227-T362 VanDerWaalsContact NE-OG1 3.17Å; R227-T362 PolarHBondContact NH2-OG1 3.33Å; R227-E375 IonicContact CZ-OE1 3.43Å; R227-E375 VanDerWaalsContact CZ-OE1 3.24Å; R227-E375 IonicContact NH1-OE1 3.85Å; R227-E375 PolarHBondContact NH1-OE1 3.16Å; R227-E375 IonicContact NH2-OE1 2.8Å; R227-E375 PolarHBondContact NH2-OE1 3.06Å; R227-E375 IonicContact NH2-OE2 3.87Å |
| 228 | N | 56.2 | Low | 48.8 | Very low | 125 Ų | 125 | 101 Ų | 101 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -76.7 | -26.8 | 178.6 | -73.3 | -15.9 | 0 | 0 | 0 | 113.8 | D226 Y232 | D226-N228 VanDerWaalsContact C-N 3.26Å; D226-N228 PolarHBondContact O-N 3.48Å; N228-Y232 WeakPolarHBondContact O-CD2 3.36Å |
| 229 | R | 55.8 | Low | 47.9 | Very low | 204 Ų | 204 | 107.9 Ų | 107.9 | 77% | 0.77 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.8 | -33.2 | 178.8 | -99.4 | -180 | 169 | 178.2 | -4.4 | 112.4 | D226 | D226-R229 PolarHBondContact O-N 3.42Å |
| 230 | V | 52.8 | Low | 47.1 | Very low | 44 Ų | 44 | 114.9 Ų | 114.9 | 27% | 0.267 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -78.6 | -28.3 | -174.7 | 178.3 | 0 | 0 | 0 | 0 | 112.8 | Q220 I222 D226 Y232 | Q220-V230 VanDerWaalsContact OE1-CG1 3.22Å; I222-V230 HydrophobicContact CD1-CB 4.14Å; I222-V230 HydrophobicContact CD1-CG1 4.39Å; I222-V230 HydrophobicContact CD1-CG2 4.04Å; I222-V230 HydrophobicContact CG2-CG2 4.35Å; D226-V230 PolarHBondContact O-N 2.71Å; V230-Y232 PolarHBondContact O-N 2.81Å |
| 231 | L | 49.4 | Very low | 46.8 | Very low | 54 Ų | 54 | 114.2 Ų | 114.2 | 28% | 0.283 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | -13.8 | -178.9 | -75.4 | 162.6 | 0 | 0 | 0 | 114 | I330 V364 T373 | L231-I330 HydrophobicContact CD2-CD1 4.23Å; L231-V364 HydrophobicContact CD2-CG2 4.32Å; L231-T373 HydrophobicContact CD2-CG2 4.07Å |
| 232 | Y | 49.6 | Very low | 47.2 | Very low | 205 Ų | 205 | 123.5 Ų | 123.5 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 14.3 | -170.2 | -62.2 | -75.2 | 0 | 0 | 0 | 115.9 | N228 V230 | N228-Y232 WeakPolarHBondContact O-CD2 3.36Å; V230-Y232 PolarHBondContact O-N 2.81Å |
| 233 | S | 47.1 | Very low | 47.8 | Very low | 69 Ų | 69 | 123.1 Ų | 123.1 | 48% | 0.483 | 60% | 0.601 | S | S | . | * | trans | -93.2 | 126.8 | 177.9 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 234 | E | 38.8 | Very low | 48.7 | Very low | 168 Ų | 168 | 120.3 Ų | 120.3 | 79% | 0.785 | 59% | 0.586 | S | S | * | * | trans | -59.1 | 150.4 | -178.4 | -73.9 | -160.7 | 156.6 | 0 | 0 | 115.4 | ||||
| 235 | P | 36.9 | Very low | 49.8 | Very low | 124 Ų | 124 | 113.8 Ų | 113.8 | 81% | 0.805 | 55% | 0.551 | S | S | * | * | trans | -90.2 | 110.9 | -179.8 | 32.3 | -26.8 | 0 | 0 | 0 | 113.1 | ||||
| 236 | Y | 30.1 | Very low | 50.7 | Low | 215 Ų | 215 | 113.5 Ų | 113.5 | 84% | 0.843 | 54% | 0.542 | S | S | * | . | trans | -74.1 | 135.7 | 171.1 | -92.9 | -93.4 | 0 | 0 | 0 | 113.3 | ||||
| 237 | Q | 32.3 | Very low | 51.6 | Low | 166 Ų | 166 | 112.4 Ų | 112.4 | 78% | 0.776 | 54% | 0.535 | S | S | * | . | trans | -81.3 | 156.5 | -177.6 | -76.4 | 179.2 | -18.8 | 0 | 0 | 114.7 | ||||
| 238 | Q | 32.3 | Very low | 52.6 | Low | 143 Ų | 143 | 110.6 Ų | 110.6 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | trans | 78 | 105.5 | 153.9 | -74.2 | 170.2 | 10.9 | 0 | 0 | 120.4 | ||||
| 239 | L | 31.5 | Very low | 52.9 | Low | 148 Ų | 148 | 107.4 Ų | 107.4 | 78% | 0.775 | 52% | 0.515 | S | S | * | . | trans | -158.5 | 122 | 139.1 | -101 | 150.9 | 0 | 0 | 0 | 109 | ||||
| 240 | Y | 35.4 | Very low | 52.9 | Low | 210 Ų | 210 | 102.7 Ų | 102.7 | 82% | 0.824 | 50% | 0.497 | S | S | * | . | trans | -92 | 116.9 | -169.7 | -84.7 | -98.9 | 0 | 0 | 0 | 112.5 | ||||
| 241 | G | 49.4 | Very low | 52.8 | Low | 51 Ų | 51 | 106.1 Ų | 106.1 | 53% | 0.526 | 51% | 0.51 | S | S | . | . | trans | -141.4 | 136.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | W243 R250 | G241-W243 PolarHBondContact O-N 2.68Å; G241-R250 PolarHBondContact O-NH2 2.89Å | ||
| 242 | Y | 57.5 | Low | 52.8 | Low | 238 Ų | 238 | 106.6 Ų | 106.6 | 93% | 0.933 | 51% | 0.513 | S | S | * | . | trans | -59.9 | 121.8 | -170.7 | -80.5 | -93.3 | 0 | 0 | 0 | 112.6 | ||||
| 243 | W | 67.5 | Low | 52.9 | Low | 24 Ų | 24 | 98.2 Ų | 98.2 | 9% | 0.091 | 48% | 0.481 | C | S | . | . | trans | -77.6 | 134.2 | 177.4 | 172 | -111.6 | 0 | 0 | 0 | 109.9 | L207 L210 L216 G241 W245 C248 R250 F253 | L207-W243 HydrophobicContact CD1-CH2 3.48Å; L207-W243 VanDerWaalsContact CD1-CH2 3.48Å; L207-W243 HydrophobicContact CD1-CZ2 4.01Å; L207-W243 HydrophobicContact CD1-CZ3 4.25Å; L210-W243 HydrophobicContact CD2-CD2 4.43Å; L210-W243 HydrophobicContact CD2-CE3 3.24Å; L210-W243 HydrophobicContact CD2-CH2 4.33Å; L210-W243 HydrophobicContact CD2-CZ3 3.21Å; L216-W243 HydrophobicContact CD1-CZ3 4.36Å; G241-W243 PolarHBondContact O-N 2.68Å; W243-W245 VanDerWaalsContact C-N 3.26Å; W243-W245 VanDerWaalsContact CD1-C 3.46Å; W243-W245 PolarHBondContact NE1-O 3.45Å; W243-W245 PolarHBondContact O-N 3.29Å; W243-C248 PolarHBondContact NE1-O 2.9Å; W243-R250 HydrophobicContact CB-CG 3.77Å; W243-R250 HydrophobicContact CD2-CG 3.9Å; W243-R250 HydrophobicContact CE3-CG 4.15Å; W243-R250 HydrophobicContact CG-CG 3.67Å; W243-F253 AromaticContact CE2-CD2 3.72Å; W243-F253 AromaticContact CE2-CE2 3.72Å; W243-F253 HydrophobicContact CH2-CB 3.76Å; W243-F253 AromaticContact CH2-CD1 3.65Å; W243-F253 HydrophobicContact CH2-CD1 3.65Å; W243-F253 AromaticContact CH2-CD2 3.31Å; W243-F253 HydrophobicContact CH2-CD2 3.31Å; W243-F253 HydrophobicContact CH2-CE1 4.14Å; W243-F253 AromaticContact CH2-CE2 3.84Å; W243-F253 HydrophobicContact CH2-CE2 3.84Å; W243-F253 AromaticContact CH2-CG 3.21Å; W243-F253 HydrophobicContact CH2-CG 3.21Å; W243-F253 HydrophobicContact CH2-CZ 4.22Å; W243-F253 HydrophobicContact CZ2-CB 4.38Å; W243-F253 AromaticContact CZ2-CD1 3.84Å; W243-F253 HydrophobicContact CZ2-CD1 3.84Å; W243-F253 AromaticContact CZ2-CD2 3.01Å; W243-F253 HydrophobicContact CZ2-CD2 3.01Å; W243-F253 AromaticContact CZ2-CE1 3.89Å; W243-F253 HydrophobicContact CZ2-CE1 3.89Å; W243-F253 AromaticContact CZ2-CE2 3.07Å; W243-F253 HydrophobicContact CZ2-CE2 3.07Å; W243-F253 AromaticContact CZ2-CG 3.43Å; W243-F253 HydrophobicContact CZ2-CG 3.43Å; W243-F253 VanDerWaalsContact CZ2-CG 3.43Å; W243-F253 AromaticContact CZ2-CZ 3.53Å; W243-F253 HydrophobicContact CZ2-CZ 3.53Å; W243-F253 HydrophobicContact CZ3-CB 4.3Å; W243-F253 HydrophobicContact CZ3-CD2 4.24Å; W243-F253 HydrophobicContact CZ3-CG 4.17Å; W243-F253 AromaticContact NE1-CE2 3.95Å | ||
| 244 | P | 72.9 | Confident | 52.8 | Low | 7 Ų | 7 | 95.9 Ų | 95.9 | 5% | 0.045 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -59.6 | -31.9 | -171.4 | -28.7 | 36.4 | 0 | 0 | 0 | 115.1 | L203 R206 L207 L210 P246 | L203-P244 WeakPolarHBondContact CD2-O 3.46Å; R206-P244 HydrophobicContact CB-CB 3.61Å; R206-P244 HydrophobicContact CB-CG 3.76Å; L207-P244 HydrophobicContact CB-CG 4.43Å; L210-P244 HydrophobicContact CD2-CG 4.35Å; P244-P246 WeakPolarHBondContact O-CD 3.29Å |
| 245 | W | 79.8 | Confident | 53.1 | Low | 0 Ų | 0 | 89.4 Ų | 89.4 | 0% | 0 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -112 | 78.6 | -178.7 | -73 | 83.1 | 0 | 0 | 0 | 109.8 | C166 P167 L170 V171 L200 L203 W243 H247 C248 | C166-W245 HydrophobicContact CB-CH2 3.83Å; C166-W245 HydrophobicContact CB-CZ3 3.67Å; C166-W245 WeakPolarHBondContact O-CZ3 3.41Å; P167-W245 WeakPolarHBondContact O-CZ3 3.24Å; L170-W245 HydrophobicContact CB-CH2 4.07Å; L170-W245 HydrophobicContact CD2-CH2 4.26Å; V171-W245 HydrophobicContact CG2-CB 4.27Å; V171-W245 HydrophobicContact CG2-CD2 3.4Å; V171-W245 HydrophobicContact CG2-CE3 3.81Å; V171-W245 HydrophobicContact CG2-CG 3.57Å; V171-W245 HydrophobicContact CG2-CH2 4.49Å; V171-W245 HydrophobicContact CG2-CZ2 4.12Å; V171-W245 HydrophobicContact CG2-CZ3 4.33Å; L200-W245 HydrophobicContact CD1-CH2 3.73Å; L200-W245 HydrophobicContact CD1-CZ2 3.91Å; L203-W245 HydrophobicContact CB-CZ2 3.74Å; L203-W245 HydrophobicContact CD1-CD2 4.22Å; L203-W245 HydrophobicContact CD1-CE3 4.32Å; L203-W245 HydrophobicContact CD1-CH2 3.71Å; L203-W245 HydrophobicContact CD1-CZ2 3.62Å; L203-W245 HydrophobicContact CD1-CZ3 4.09Å; L203-W245 HydrophobicContact CG-CZ2 4.28Å; W243-W245 VanDerWaalsContact C-N 3.26Å; W243-W245 VanDerWaalsContact CD1-C 3.46Å; W243-W245 PolarHBondContact NE1-O 3.45Å; W243-W245 PolarHBondContact O-N 3.29Å; W245-H247 AromaticContact CE3-CE1 3.4Å; W245-H247 VanDerWaalsContact CE3-CE1 3.4Å; W245-H247 AromaticContact CE3-NE2 3.69Å; W245-H247 AromaticContact CZ3-CE1 3.96Å; W245-H247 PolarHBondContact O-N 2.86Å; W245-C248 HydrophobicContact CB-CB 3.87Å; W245-C248 WeakPolarHBondContact O-CA 2.96Å; W245-C248 WeakPolarHBondContact O-CB 3.46Å; W245-C248 PolarHBondContact O-N 3.29Å |
| 246 | P | 74.7 | Confident | 53.5 | Low | 82 Ų | 82 | 90 Ų | 90 | 53% | 0.532 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -23.4 | -165.7 | 22.2 | -35 | 0 | 0 | 0 | 115.1 | Q194 V195 P244 | Q194-P246 HydrophobicContact CB-CG 3.94Å; V195-P246 HydrophobicContact CG1-CG 4.25Å; P244-P246 WeakPolarHBondContact O-CD 3.29Å |
| 247 | H | 79.7 | Confident | 54.2 | Low | 40 Ų | 40 | 83 Ų | 83 | 19% | 0.185 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -8.5 | 174 | 60.8 | -80.4 | 0 | 0 | 0 | 114.2 | C166 P192 Q194 V195 W245 | C166-H247 PolarHBondContact O-NE2 3.08Å; C166-H247 VanDerWaalsContact O-NE2 3.08Å; P192-H247 HydrophobicContact CG-CB 4.16Å; P192-H247 WeakPolarHBondContact CG-CD2 3.47Å; P192-H247 VanDerWaalsContact CG-CG 3.48Å; P192-H247 WeakPolarHBondContact CG-NE2 3.33Å; Q194-H247 HydrophobicContact CB-CB 4.15Å; Q194-H247 HydrophobicContact CG-CB 4.04Å; V195-H247 VanDerWaalsContact CG2-CE1 3.49Å; V195-H247 WeakPolarHBondContact CG2-CE1 3.29Å; W245-H247 AromaticContact CE3-CE1 3.4Å; W245-H247 VanDerWaalsContact CE3-CE1 3.4Å; W245-H247 AromaticContact CE3-NE2 3.69Å; W245-H247 AromaticContact CZ3-CE1 3.96Å; W245-H247 PolarHBondContact O-N 2.86Å |
| 248 | C | 74.6 | Confident | 54.7 | Low | 5 Ų | 5 | 77.8 Ų | 77.8 | 3% | 0.034 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -98.6 | 128.9 | -179.7 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | C168 W243 W245 R250 F253 | C168-C248 WeakPolarHBondContact CA-SG 3.08Å; C168-C248 HydrophobicContact CB-CB 3.87Å; C168-C248 WeakPolarHBondContact CB-SG 3.23Å; C168-C248 WeakPolarHBondContact SG-CA 3.25Å; C168-C248 WeakPolarHBondContact SG-CB 3.47Å; C168-C248 CovalentContact SG-SG 2.04Å; C168-C248 PolarHBondContact SG-SG 3.24Å; W243-C248 PolarHBondContact NE1-O 2.9Å; W245-C248 HydrophobicContact CB-CB 3.87Å; W245-C248 WeakPolarHBondContact O-CA 2.96Å; W245-C248 WeakPolarHBondContact O-CB 3.46Å; W245-C248 PolarHBondContact O-N 3.29Å; C248-R250 PolarHBondContact O-N 3.04Å; C248-F253 HydrophobicContact CB-CE2 4.05Å |
| 249 | P | 62.1 | Low | 55.3 | Low | 59 Ų | 59 | 77.7 Ų | 77.7 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | trans | -55.9 | 126.6 | 175.6 | -20.7 | 29.6 | 0 | 0 | 0 | 110.5 | Q251 D252 F253 | P249-Q251 PolarHBondContact O-N 2.91Å; P249-Q251 VanDerWaalsContact O-N 3.12Å; P249-D252 HydrophobicContact CB-CB 4.4Å; P249-D252 VanDerWaalsContact CD-OD2 3.24Å; P249-D252 WeakPolarHBondContact CD-OD2 3.4Å; P249-D252 VanDerWaalsContact CG-OD2 3.25Å; P249-D252 WeakPolarHBondContact CG-OD2 3.3Å; P249-D252 WeakPolarHBondContact O-CB 3.45Å; P249-D252 PolarHBondContact O-N 2.84Å; P249-F253 WeakPolarHBondContact O-CD2 3.31Å | ||
| 250 | R | 57.5 | Low | 56 | Low | 104 Ų | 104 | 77.2 Ų | 77.2 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -55.5 | -31.4 | 173.4 | -68.8 | -178.2 | -175.8 | 168.2 | 0.8 | 112 | G241 W243 C248 D252 F253 | G241-R250 PolarHBondContact O-NH2 2.89Å; W243-R250 HydrophobicContact CB-CG 3.77Å; W243-R250 HydrophobicContact CD2-CG 3.9Å; W243-R250 HydrophobicContact CE3-CG 4.15Å; W243-R250 HydrophobicContact CG-CG 3.67Å; C248-R250 PolarHBondContact O-N 3.04Å; R250-D252 PolarHBondContact O-N 3.24Å; R250-F253 PolarHBondContact O-N 2.91Å; R250-F253 VanDerWaalsContact O-N 3.15Å |
| 251 | Q | 50.5 | Low | 56.3 | Low | 116 Ų | 116 | 72.5 Ų | 72.5 | 54% | 0.542 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -66.9 | -24.5 | 179.7 | -67.3 | 155.9 | -18.3 | 0 | 0 | 112.5 | P249 F253 G254 Q326 | P249-Q251 PolarHBondContact O-N 2.91Å; P249-Q251 VanDerWaalsContact O-N 3.12Å; Q251-F253 PolarHBondContact O-N 2.89Å; Q251-G254 WeakPolarHBondContact O-CA 3.32Å; Q251-G254 PolarHBondContact O-N 2.96Å; Q251-Q326 HydrophobicContact CB-CG 4.45Å; Q251-Q326 VanDerWaalsContact CB-NE2 3.28Å |
| 252 | D | 48.2 | Very low | 55.9 | Low | 65 Ų | 65 | 75.4 Ų | 75.4 | 35% | 0.348 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -69.2 | -12.7 | 174.7 | -67.3 | -8.6 | 0 | 0 | 0 | 112.2 | P249 R250 R345 | P249-D252 HydrophobicContact CB-CB 4.4Å; P249-D252 VanDerWaalsContact CD-OD2 3.24Å; P249-D252 WeakPolarHBondContact CD-OD2 3.4Å; P249-D252 VanDerWaalsContact CG-OD2 3.25Å; P249-D252 WeakPolarHBondContact CG-OD2 3.3Å; P249-D252 WeakPolarHBondContact O-CB 3.45Å; P249-D252 PolarHBondContact O-N 2.84Å; R250-D252 PolarHBondContact O-N 3.24Å; D252-R345 VanDerWaalsContact O-CZ 3.3Å; D252-R345 PolarHBondContact O-NE 3.22Å; D252-R345 PolarHBondContact O-NH2 2.9Å |
| 253 | F | 53.3 | Low | 54.8 | Low | 28 Ų | 28 | 69 Ų | 69 | 12% | 0.123 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -99 | -0.9 | 173.5 | -59 | -84.9 | 0 | 0 | 0 | 113.1 | V171 W243 C248 P249 R250 Q251 G255 R345 | V171-F253 HydrophobicContact CB-CE1 3.67Å; V171-F253 HydrophobicContact CB-CZ 3.69Å; V171-F253 HydrophobicContact CG1-CD1 4.32Å; V171-F253 HydrophobicContact CG1-CE1 3.26Å; V171-F253 HydrophobicContact CG1-CZ 3.58Å; V171-F253 HydrophobicContact CG2-CE1 4.14Å; V171-F253 HydrophobicContact CG2-CZ 3.61Å; W243-F253 AromaticContact CE2-CD2 3.72Å; W243-F253 AromaticContact CE2-CE2 3.72Å; W243-F253 HydrophobicContact CH2-CB 3.76Å; W243-F253 AromaticContact CH2-CD1 3.65Å; W243-F253 HydrophobicContact CH2-CD1 3.65Å; W243-F253 AromaticContact CH2-CD2 3.31Å; W243-F253 HydrophobicContact CH2-CD2 3.31Å; W243-F253 HydrophobicContact CH2-CE1 4.14Å; W243-F253 AromaticContact CH2-CE2 3.84Å; W243-F253 HydrophobicContact CH2-CE2 3.84Å; W243-F253 AromaticContact CH2-CG 3.21Å; W243-F253 HydrophobicContact CH2-CG 3.21Å; W243-F253 HydrophobicContact CH2-CZ 4.22Å; W243-F253 HydrophobicContact CZ2-CB 4.38Å; W243-F253 AromaticContact CZ2-CD1 3.84Å; W243-F253 HydrophobicContact CZ2-CD1 3.84Å; W243-F253 AromaticContact CZ2-CD2 3.01Å; W243-F253 HydrophobicContact CZ2-CD2 3.01Å; W243-F253 AromaticContact CZ2-CE1 3.89Å; W243-F253 HydrophobicContact CZ2-CE1 3.89Å; W243-F253 AromaticContact CZ2-CE2 3.07Å; W243-F253 HydrophobicContact CZ2-CE2 3.07Å; W243-F253 AromaticContact CZ2-CG 3.43Å; W243-F253 HydrophobicContact CZ2-CG 3.43Å; W243-F253 VanDerWaalsContact CZ2-CG 3.43Å; W243-F253 AromaticContact CZ2-CZ 3.53Å; W243-F253 HydrophobicContact CZ2-CZ 3.53Å; W243-F253 HydrophobicContact CZ3-CB 4.3Å; W243-F253 HydrophobicContact CZ3-CD2 4.24Å; W243-F253 HydrophobicContact CZ3-CG 4.17Å; W243-F253 AromaticContact NE1-CE2 3.95Å; C248-F253 HydrophobicContact CB-CE2 4.05Å; P249-F253 WeakPolarHBondContact O-CD2 3.31Å; R250-F253 PolarHBondContact O-N 2.91Å; R250-F253 VanDerWaalsContact O-N 3.15Å; Q251-F253 PolarHBondContact O-N 2.89Å; F253-G255 PolarHBondContact O-N 3.43Å; F253-R345 VanDerWaalsContact CA-NH2 3.32Å; F253-R345 PolarHBondContact O-NH2 3.42Å |
| 254 | G | 44.4 | Very low | 53.2 | Low | 21 Ų | 21 | 72.3 Ų | 72.3 | 22% | 0.216 | 41% | 0.412 | C | S | . | . | trans | 64.7 | 34.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | G218 Q251 R345 | G218-G254 WeakPolarHBondContact CA-O 3.35Å; G218-G254 PolarHBondContact N-O 3.05Å; Q251-G254 WeakPolarHBondContact O-CA 3.32Å; Q251-G254 PolarHBondContact O-N 2.96Å; G254-R345 VanDerWaalsContact CA-CZ 3.46Å; G254-R345 VanDerWaalsContact CA-NH2 3.28Å; G254-R345 VanDerWaalsContact N-NH2 3.11Å | ||
| 255 | G | 44.4 | Very low | 51.6 | Low | 31 Ų | 31 | 80.1 Ų | 80.1 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | trans | -111 | 152.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | F253 | F253-G255 PolarHBondContact O-N 3.43Š| ||
| 256 | K | 44.7 | Very low | 49.3 | Very low | 136 Ų | 136 | 85 Ų | 85 | 59% | 0.591 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -47.5 | 161.3 | 147.1 | -67.1 | -178.2 | 174.7 | -176.8 | 0 | 109 | ||
| 257 | T | 46.7 | Very low | 47.5 | Very low | 69 Ų | 69 | 88.8 Ų | 88.8 | 42% | 0.423 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -37.5 | 130.5 | 175.9 | -7 | 0 | 0 | 0 | 0 | 110.9 | Q259 | T257-Q259 PolarHBondContact O-N 3.28Š|
| 258 | P | 41.3 | Very low | 45.1 | Very low | 57 Ų | 57 | 97.3 Ų | 97.3 | 37% | 0.37 | 54% | 0.536 | S | S | . | . | trans | -37.3 | 99.5 | 177.4 | -38 | 40 | 0 | 0 | 0 | 113.3 | T214 L216 | T214-P258 HydrophobicContact CG2-CB 3.55Å; T214-P258 HydrophobicContact CG2-CG 4.08Å; L216-P258 HydrophobicContact CD1-CG 4.43Å | ||
| 259 | Q | 45.9 | Very low | 43.3 | Very low | 140 Ų | 140 | 106 Ų | 106 | 65% | 0.654 | 58% | 0.576 | S | S | * | * | trans | -81.6 | 118.1 | 165.6 | -73.8 | -175.5 | -14.9 | 0 | 0 | 106.5 | T257 L261 | T257-Q259 PolarHBondContact O-N 3.28Å; Q259-L261 PolarHBondContact O-N 3.09Å | ||
| 260 | L | 46.2 | Very low | 41.8 | Very low | 139 Ų | 139 | 108.5 Ų | 108.5 | 73% | 0.728 | 59% | 0.59 | S | S | * | * | trans | -54.9 | 138.4 | 170.4 | -99.1 | 91.5 | 0 | 0 | 0 | 108.6 | T262 | L260-T262 VanDerWaalsContact C-N 3.26Å; L260-T262 PolarHBondContact O-N 2.67Å | ||
| 261 | L | 41.1 | Very low | 40.9 | Very low | 110 Ų | 110 | 112.8 Ų | 112.8 | 58% | 0.576 | 61% | 0.614 | S | S | * | * | trans | -65.8 | 85.5 | 169.3 | -68.7 | 164.8 | 0 | 0 | 0 | 109 | R215 Q259 | R215-L261 HydrophobicContact CG-CD2 4.08Å; Q259-L261 PolarHBondContact O-N 3.09Å | ||
| 262 | T | 40.7 | Very low | 40 | Very low | 112 Ų | 112 | 114.7 Ų | 114.7 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | trans | -84.4 | 126 | 168.7 | 49 | 0 | 0 | 0 | 0 | 109.6 | L260 S264 | L260-T262 VanDerWaalsContact C-N 3.26Å; L260-T262 PolarHBondContact O-N 2.67Å; T262-S264 PolarHBondContact O-N 2.8Å; T262-S264 VanDerWaalsContact O-N 3.11Å | ||
| 263 | A | 34.1 | Very low | 39.4 | Very low | 104 Ų | 104 | 116.4 Ų | 116.4 | 86% | 0.86 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -80.1 | 82.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 264 | S | 35.3 | Very low | 38.5 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | trans | 168.6 | 116.5 | 160.4 | 33.2 | 0 | 0 | 0 | 0 | 108.1 | T262 | T262-S264 PolarHBondContact O-N 2.8Å; T262-S264 VanDerWaalsContact O-N 3.11Å | ||
| 265 | D | 37.7 | Very low | 38.1 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 91% | 0.914 | 71% | 0.708 | S | S | * | * | trans | -170.9 | 68.3 | 151.5 | -93.8 | -22 | 0 | 0 | 0 | 108.1 | ||||
| 266 | S | 31.6 | Very low | 37.6 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -100.6 | 101.2 | 152.7 | 52.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 267 | N | 37.2 | Very low | 37.3 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | -174.3 | 132.9 | 146.7 | -90.3 | -18.6 | 0 | 0 | 0 | 111.3 | ||||
| 268 | Y | 29.8 | Very low | 36.7 | Very low | 218 Ų | 218 | 135.8 Ų | 135.8 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | -55 | 148.1 | 166.7 | -76.8 | -107.7 | 0 | 0 | 0 | 110.9 | ||||
| 269 | E | 36.5 | Very low | 36.4 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | 179.2 | 146.2 | 113 | -95.5 | 171.6 | -172 | 0 | 0 | 113.2 | |||||
| 270 | T | 31.6 | Very low | 35.8 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | -63.2 | 147.7 | 178.8 | 45.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 271 | H | 37.3 | Very low | 35.4 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | -170.9 | 154 | 132.3 | -93.4 | -54.9 | 0 | 0 | 0 | 113.1 | ||||
| 272 | D | 33 | Very low | 35.1 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -88.3 | 160.4 | -156.4 | -147.8 | 16 | 0 | 0 | 0 | 113.8 | ||||
| 273 | P | 34.2 | Very low | 34.7 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | trans | -106 | 138.9 | -172.3 | 37 | -25.6 | 0 | 0 | 0 | 113.9 | ||||
| 274 | T | 34.4 | Very low | 34.7 | Very low | 138 Ų | 138 | 141.4 Ų | 141.4 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -157.5 | 121.5 | 158.7 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 275 | S | 37.2 | Very low | 34.6 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | 157.3 | 108.7 | 127.2 | 50.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 276 | D | 32.4 | Very low | 34.3 | Very low | 153 Ų | 153 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -70.5 | 144.8 | 154.1 | -81.2 | -45.5 | 0 | 0 | 0 | 109 | ||||
| 277 | D | 38.6 | Very low | 34.4 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | -175.5 | 118.6 | 134.9 | -94 | -22.6 | 0 | 0 | 0 | 112.6 | ||||
| 278 | L | 35.5 | Very low | 34.4 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | 57.1 | 145.4 | 127.6 | -51.8 | 163.4 | 0 | 0 | 0 | 119.4 | |||||
| 279 | I | 35 | Very low | 34.7 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | cis | -179 | 146.9 | -3.8 | -108.6 | 177.5 | 0 | 0 | 0 | 106.3 | ||||
| 280 | N | 32.6 | Very low | 35 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | trans | 48.3 | 131.2 | 152.2 | -68.6 | -21.7 | 0 | 0 | 0 | 123.8 | ||||
| 281 | N | 37.7 | Very low | 35.9 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | -168.9 | 124.4 | 111.6 | -91.1 | -36.3 | 0 | 0 | 0 | 113.9 | |||||
| 282 | G | 34.7 | Very low | 36.7 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | 95.3 | 116.1 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 283 | P | 32.1 | Very low | 38 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | trans | -95.8 | 145.4 | 176.1 | 36.1 | -29.1 | 0 | 0 | 0 | 113 | ||||
| 284 | V | 34.7 | Very low | 39.6 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 90% | 0.903 | 74% | 0.737 | S | S | * | * | trans | -128.3 | 128.6 | 163.8 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 285 | Q | 32.1 | Very low | 41.3 | Very low | 168 Ų | 168 | 128.1 Ų | 128.1 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -76.9 | 166.8 | -172 | -66.1 | 173.4 | -33.5 | 0 | 0 | 114 | ||||
| 286 | N | 31.4 | Very low | 43.2 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | trans | 89.2 | 101.4 | 155.4 | -60.8 | -20.3 | 0 | 0 | 0 | 117 | ||||
| 287 | N | 34.3 | Very low | 45.5 | Very low | 138 Ų | 138 | 119.5 Ų | 119.5 | 74% | 0.738 | 66% | 0.659 | S | S | * | * | 169.4 | 125.3 | 96.6 | -84.3 | -39.6 | 0 | 0 | 0 | 112.1 | |||||
| 288 | Q | 37.1 | Very low | 47.4 | Very low | 178 Ų | 178 | 113.7 Ų | 113.7 | 83% | 0.832 | 63% | 0.628 | S | S | * | * | trans | 54.8 | 112.4 | 145.9 | -69.3 | 170.2 | -31.7 | 0 | 0 | 119 | N290 | Q288-N290 PolarHBondContact O-N 3.14Š| ||
| 289 | D | 36.4 | Very low | 49.4 | Very low | 176 Ų | 176 | 110.3 Ų | 110.3 | 94% | 0.941 | 61% | 0.613 | S | S | * | * | trans | -49.4 | 90.8 | 167.9 | -70 | -51.7 | 0 | 0 | 0 | 112.4 | ||||
| 290 | N | 43.2 | Very low | 51.2 | Low | 83 Ų | 83 | 106 Ų | 106 | 44% | 0.444 | 59% | 0.593 | S | S | . | * | trans | -92.4 | 121 | 166.4 | -163.8 | 14.3 | 0 | 0 | 0 | 108.3 | Q288 E292 | Q288-N290 PolarHBondContact O-N 3.14Å; N290-E292 PolarHBondContact ND2-OE2 3.36Å; N290-E292 PolarHBondContact O-N 2.89Å | ||
| 291 | P | 50.4 | Low | 53.4 | Low | 105 Ų | 105 | 105.2 Ų | 105.2 | 68% | 0.682 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -6.6 | -179.8 | -22.6 | 32 | 0 | 0 | 0 | 115.2 | ||
| 292 | E | 53 | Low | 55.6 | Low | 104 Ų | 104 | 97.8 Ų | 97.8 | 49% | 0.486 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -13 | -171.2 | -62.7 | -179 | 152.4 | 0 | 0 | 114.7 | N290 K294 | N290-E292 PolarHBondContact ND2-OE2 3.36Å; N290-E292 PolarHBondContact O-N 2.89Å; E292-K294 PolarHBondContact O-N 2.83Å |
| 293 | N | 61.3 | Low | 57.7 | Low | 88 Ų | 88 | 99.1 Ų | 99.1 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | trans | -99.5 | 62.2 | -175.8 | -66.5 | -19.3 | 0 | 0 | 0 | 113.4 | Y369 | N293-Y369 HydrophobicContact CB-CD1 4.16Å; N293-Y369 HydrophobicContact CB-CE1 3.81Å; N293-Y369 PolarHBondContact OD1-OH 3.11Å; N293-Y369 VanDerWaalsContact OD1-OH 3.07Å | ||
| 294 | K | 67.2 | Low | 60.2 | Low | 149 Ų | 149 | 97.9 Ų | 97.9 | 65% | 0.648 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -130.3 | 153.7 | 179.1 | -69 | -176.1 | 179.8 | 179 | 0 | 112.5 | E292 N367 | E292-K294 PolarHBondContact O-N 2.83Å; K294-N367 PolarHBondContact O-ND2 3.16Å |
| 295 | A | 69.7 | Low | 62.3 | Low | 37 Ų | 37 | 91.1 Ų | 91.1 | 31% | 0.306 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 149.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 296 | P | 78.3 | Confident | 64.5 | Low | 1 Ų | 1 | 88.4 Ų | 88.4 | 1% | 0.006 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 139 | -176 | 26.4 | -29.2 | 0 | 0 | 0 | 110.4 | E320 L365 N367 G370 T372 | P296-E320 CarbonylContact C-O 3.54Å; P296-L365 HydrophobicContact CB-CB 4.03Å; P296-L365 HydrophobicContact CG-CB 3.73Å; P296-L365 WeakPolarHBondContact CG-O 3.4Å; P296-N367 WeakPolarHBondContact CD-ND2 3.43Å; P296-G370 WeakPolarHBondContact CD-O 3.4Å; P296-T372 WeakPolarHBondContact O-CB 3.33Å; P296-T372 PolarHBondContact O-OG1 3.07Å |
| 297 | T | 81.3 | Confident | 66.5 | Low | 94 Ų | 94 | 82.8 Ų | 82.8 | 58% | 0.577 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.7 | 176.6 | -53.9 | 0 | 0 | 0 | 0 | 109.5 | V299 G319 E320 | T297-V299 PolarHBondContact O-N 3.2Å; T297-G319 CarbonylContact O-C 3.43Å; T297-G319 WeakPolarHBondContact O-CA 3.16Å; T297-E320 PolarHBondContact N-O 3.38Å; T297-E320 PolarHBondContact O-N 3.22Å |
| 298 | I | 77.3 | Confident | 68.1 | Low | 17 Ų | 17 | 76.6 Ų | 76.6 | 9% | 0.087 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 117.6 | 176.5 | -71 | -179.9 | 0 | 0 | 0 | 109.5 | V300 Q301 L365 T372 T373 | I298-V300 VanDerWaalsContact CG2-C 3.44Å; I298-V300 WeakPolarHBondContact CG2-O 3.09Å; I298-Q301 HydrophobicContact CG2-CG 4.37Å; I298-L365 HydrophobicContact CD1-CD1 3.95Å; I298-L365 HydrophobicContact CG1-CD1 3.43Å; I298-L365 VanDerWaalsContact CG1-CD1 3.43Å; I298-T372 HydrophobicContact CB-CG2 4.48Å; I298-T372 HydrophobicContact CD1-CG2 3.73Å; I298-T372 HydrophobicContact CG1-CG2 3.71Å; I298-T373 WeakPolarHBondContact CD1-O 3.31Å |
| 299 | V | 78.2 | Confident | 69.5 | Low | 67 Ų | 67 | 70.5 Ų | 70.5 | 41% | 0.406 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -37.7 | 177.3 | -179.7 | 0 | 0 | 0 | 0 | 110.3 | T297 R318 E320 | T297-V299 PolarHBondContact O-N 3.2Å; V299-R318 PolarHBondContact N-O 2.79Å; V299-E320 HydrophobicContact CG2-CB 3.52Å; V299-E320 VanDerWaalsContact CG2-CD 3.48Å; V299-E320 HydrophobicContact CG2-CG 3.44Å; V299-E320 VanDerWaalsContact CG2-CG 3.44Å |
| 300 | V | 72.8 | Confident | 70.7 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 104.7 | 179.4 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | I298 R318 | I298-V300 VanDerWaalsContact CG2-C 3.44Å; I298-V300 WeakPolarHBondContact CG2-O 3.09Å; V300-R318 HydrophobicContact CB-CB 3.99Å; V300-R318 HydrophobicContact CG2-CB 3.8Å; V300-R318 PolarHBondContact N-O 3.13Å; V300-R318 VanDerWaalsContact N-O 3.12Å |
| 301 | Q | 78.5 | Confident | 71.9 | Confident | 116 Ų | 116 | 62.2 Ų | 62.2 | 54% | 0.542 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 132.8 | 169.9 | -67.5 | -65.9 | -22.9 | 0 | 0 | 109 | I298 Q303 S374 | I298-Q301 HydrophobicContact CG2-CG 4.37Å; Q301-Q303 PolarHBondContact O-N 2.83Å; Q301-S374 WeakPolarHBondContact CA-OG 3.39Å; Q301-S374 PolarHBondContact OE1-OG 3.26Å |
| 302 | L | 82.7 | Confident | 72.5 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 131.9 | 173.4 | -84.6 | 71.2 | 0 | 0 | 0 | 108.5 | F315 C317 W329 C363 S374 | L302-F315 HydrophobicContact CD2-CB 4.45Å; L302-F315 HydrophobicContact CD2-CD1 4.14Å; L302-C317 HydrophobicContact CD1-CB 3.99Å; L302-W329 HydrophobicContact CD1-CH2 4.41Å; L302-W329 HydrophobicContact CD2-CH2 3.72Å; L302-W329 HydrophobicContact CD2-CZ3 3.43Å; L302-W329 VanDerWaalsContact CD2-CZ3 3.43Å; L302-W329 HydrophobicContact CG-CH2 4.22Å; L302-W329 HydrophobicContact CG-CZ3 4.41Å; L302-C363 HydrophobicContact CD1-CB 3.59Å; L302-C363 HydrophobicContact CD2-CB 4.2Å; L302-S374 PolarHBondContact N-OG 3.42Å |
| 303 | Q | 80.1 | Confident | 73.5 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 48% | 0.477 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 154.4 | 173.3 | -63.8 | -174.7 | -4.5 | 0 | 0 | 109.7 | Q301 V305 L468 | Q301-Q303 PolarHBondContact O-N 2.83Å; Q303-V305 PolarHBondContact O-N 3.41Å; Q303-L468 HydrophobicContact CB-CD2 4.4Å; Q303-L468 HydrophobicContact CG-CD2 4.15Å |
| 304 | N | 85.1 | Confident | 74.4 | Confident | 102 Ų | 102 | 56.4 Ų | 56.4 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 128.6 | 169.7 | -66.1 | -19.7 | 0 | 0 | 0 | 109.2 | I377 | N304-I377 CarbonylContact C-O 3.57Å; N304-I377 WeakPolarHBondContact CA-O 3.08Å; N304-I377 WeakPolarHBondContact OD1-CB 3.27Å; N304-I377 PolarHBondContact OD1-N 3.47Å |
| 305 | V | 78.1 | Confident | 75.1 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.8 | -179.5 | 175.7 | 0 | 0 | 0 | 0 | 107.9 | Q303 A313 F315 I377 L378 Q379 A469 | Q303-V305 PolarHBondContact O-N 3.41Å; V305-A313 HydrophobicContact CG1-CB 3.97Å; V305-F315 HydrophobicContact CB-CE1 4.09Å; V305-F315 HydrophobicContact CB-CZ 3.99Å; V305-F315 HydrophobicContact CG2-CD1 3.8Å; V305-F315 HydrophobicContact CG2-CE1 3.53Å; V305-F315 HydrophobicContact CG2-CE2 4.39Å; V305-F315 HydrophobicContact CG2-CG 4.35Å; V305-F315 HydrophobicContact CG2-CZ 3.85Å; V305-I377 PolarHBondContact N-O 2.87Å; V305-L378 HydrophobicContact CB-CD1 3.75Å; V305-L378 HydrophobicContact CG1-CD1 3.58Å; V305-L378 CarbonylContact O-C 3.58Å; V305-L378 WeakPolarHBondContact O-CA 3.5Å; V305-Q379 PolarHBondContact O-N 2.81Å; V305-A469 HydrophobicContact CB-CB 4.23Å; V305-A469 HydrophobicContact CG1-CB 3.67Å; V305-A469 HydrophobicContact CG2-CB 4.01Å |
| 306 | K | 78.4 | Confident | 75.6 | Confident | 111 Ų | 111 | 48.9 Ų | 48.9 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 119.7 | 171.2 | -57.3 | -172 | 175.8 | 178.1 | 0 | 109.3 | Q379 I381 | K306-Q379 VanDerWaalsContact CA-O 3.3Å; K306-Q379 WeakPolarHBondContact CA-O 3.25Å; K306-Q379 HydrophobicContact CG-CB 4.38Å; K306-I381 HydrophobicContact CB-CD1 3.36Å; K306-I381 HydrophobicContact CB-CG1 3.58Å; K306-I381 HydrophobicContact CD-CD1 4.14Å; K306-I381 HydrophobicContact CD-CG1 4.39Å; K306-I381 HydrophobicContact CG-CD1 4.39Å; K306-I381 HydrophobicContact CG-CG1 4.49Å |
| 307 | V | 72.6 | Confident | 75.7 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.1 | -173.7 | 70 | 0 | 0 | 0 | 0 | 109.3 | E311 A313 A353 L378 Q379 L380 I381 | V307-E311 HydrophobicContact CG2-CB 3.48Å; V307-E311 VanDerWaalsContact CG2-CB 3.48Å; V307-A313 HydrophobicContact CB-CB 4.17Å; V307-A313 HydrophobicContact CG1-CB 4.02Å; V307-A313 HydrophobicContact CG2-CB 4.2Å; V307-A353 HydrophobicContact CB-CB 4.48Å; V307-A353 HydrophobicContact CG1-CB 3.47Å; V307-A353 VanDerWaalsContact CG1-CB 3.47Å; V307-A353 HydrophobicContact CG2-CB 4.13Å; V307-L378 HydrophobicContact CB-CD1 4.48Å; V307-L378 HydrophobicContact CG1-CD1 3.69Å; V307-L378 HydrophobicContact CG1-CG 4.27Å; V307-Q379 PolarHBondContact N-O 3.39Å; V307-L380 HydrophobicContact CG1-CD2 3.66Å; V307-L380 CarbonylContact O-C 3.44Å; V307-L380 VanDerWaalsContact O-CA 3.22Å; V307-L380 WeakPolarHBondContact O-CA 3.41Å; V307-I381 PolarHBondContact O-N 3.44Å |
| 308 | V | 68.8 | Low | 75.6 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 137.6 | 173.8 | -170.3 | 0 | 0 | 0 | 0 | 108.7 | G310 E311 I381 P383 L414 R501 | V308-G310 PolarHBondContact O-N 3.04Å; V308-E311 HydrophobicContact CB-CG 4.33Å; V308-E311 WeakPolarHBondContact O-CB 3.14Å; V308-E311 PolarHBondContact O-N 3.42Å; V308-I381 WeakPolarHBondContact CG1-O 3.17Å; V308-I381 HydrophobicContact CG2-CB 4.48Å; V308-P383 HydrophobicContact CG1-CB 3.53Å; V308-P383 HydrophobicContact CG1-CG 3.85Å; V308-L414 HydrophobicContact CG2-CB 4.41Å; V308-R501 VanDerWaalsContact C-NH2 3.3Å; V308-R501 PolarHBondContact O-NH2 3.12Å |
| 309 | A | 67.1 | Low | 75.4 | Confident | 50 Ų | 50 | 51.2 Ų | 51.2 | 41% | 0.413 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 124.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A353 L380 R501 | A309-A353 CarbonylContact C-O 3.18Å; A309-A353 VanDerWaalsContact C-O 3.28Å; A309-A353 WeakPolarHBondContact CA-O 3.32Å; A309-L380 HydrophobicContact CB-CD1 4.29Å; A309-L380 HydrophobicContact CB-CD2 4.34Å; A309-R501 PolarHBondContact O-NH1 3.4Å; A309-R501 PolarHBondContact O-NH2 3.16Å |
| 310 | G | 61.5 | Low | 75 | Confident | 26 Ų | 26 | 54.3 Ų | 54.3 | 27% | 0.268 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99 | -13.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V308 A353 | V308-G310 PolarHBondContact O-N 3.04Å; G310-A353 PolarHBondContact N-O 3.39Å |
| 311 | E | 66.7 | Low | 74.5 | Confident | 59 Ų | 59 | 54.3 Ų | 54.3 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -82.6 | 164.6 | 173.5 | -67.4 | -67.9 | 152.3 | 0 | 0 | 111.3 | V307 V308 A353 P415 R501 | V307-E311 HydrophobicContact CG2-CB 3.48Å; V307-E311 VanDerWaalsContact CG2-CB 3.48Å; V308-E311 HydrophobicContact CB-CG 4.33Å; V308-E311 WeakPolarHBondContact O-CB 3.14Å; V308-E311 PolarHBondContact O-N 3.42Å; E311-A353 VanDerWaalsContact O-CB 3.26Å; E311-A353 WeakPolarHBondContact O-CB 3.33Å; E311-A353 PolarHBondContact O-N 3.26Å; E311-P415 HydrophobicContact CG-CB 4.33Å; E311-P415 HydrophobicContact CG-CG 4Å; E311-P415 VanDerWaalsContact OE1-CB 3.26Å; E311-P415 WeakPolarHBondContact OE1-CB 3.34Å; E311-P415 WeakPolarHBondContact OE1-CG 3.04Å; E311-R501 IonicContact OE1-CZ 2.73Å |
| 312 | I | 64.6 | Low | 73.5 | Confident | 88 Ų | 88 | 51.6 Ų | 51.6 | 45% | 0.451 | 28% | 0.281 | S | S | . | . | trans | -76.8 | 132.9 | 176.6 | -61 | 169.5 | 0 | 0 | 0 | 109.3 | R314 E349 I350 T351 | I312-R314 HydrophobicContact CG2-CG 4.21Å; I312-E349 HydrophobicContact CG2-CG 3.53Å; I312-I350 CarbonylContact C-O 3.59Å; I312-I350 VanDerWaalsContact CA-O 3.24Å; I312-I350 WeakPolarHBondContact CA-O 3.34Å; I312-I350 WeakPolarHBondContact CG2-O 3.29Å; I312-T351 WeakPolarHBondContact CG1-O 3.49Å | ||
| 313 | A | 74.3 | Confident | 72.6 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 2% | 0.017 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 135.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | V305 V307 E349 I350 A353 L378 | V305-A313 HydrophobicContact CG1-CB 3.97Å; V307-A313 HydrophobicContact CB-CB 4.17Å; V307-A313 HydrophobicContact CG1-CB 4.02Å; V307-A313 HydrophobicContact CG2-CB 4.2Å; A313-E349 CarbonylContact O-C 3.54Å; A313-E349 WeakPolarHBondContact O-CA 3.35Å; A313-I350 HydrophobicContact CB-CB 4.23Å; A313-I350 HydrophobicContact CB-CD1 4Å; A313-I350 PolarHBondContact N-O 2.93Å; A313-I350 PolarHBondContact O-N 3.48Å; A313-A353 HydrophobicContact CB-CB 4.45Å; A313-L378 HydrophobicContact CB-CD1 3.57Å |
| 314 | R | 78.5 | Confident | 71.8 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 32% | 0.321 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.6 | -179.3 | -70.1 | 174.6 | 178.4 | 162.1 | 1 | 111.5 | I312 I347 L348 E349 | I312-R314 HydrophobicContact CG2-CG 4.21Å; R314-I347 HydrophobicContact CB-CG2 4.47Å; R314-I347 HydrophobicContact CG-CG2 4.4Å; R314-L348 CarbonylContact C-O 3.54Å; R314-L348 VanDerWaalsContact CA-O 3.26Å; R314-L348 WeakPolarHBondContact CA-O 3.47Å; R314-E349 HydrophobicContact CG-CB 4.03Å; R314-E349 HydrophobicContact CG-CG 3.86Å; R314-E349 IonicContact CZ-OE2 3.24Å; R314-E349 IonicContact NE-OE2 2.8Å; R314-E349 PolarHBondContact NE-OE2 3.18Å; R314-E349 IonicContact NH2-OE2 4Å; R314-E349 PolarHBondContact NH2-OE2 3.32Å |
| 315 | F | 81.8 | Confident | 70.9 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 1% | 0.013 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 133.9 | 164.9 | -66.9 | -85.4 | 0 | 0 | 0 | 109.7 | L302 V305 W329 I347 L348 I350 Y361 L378 | L302-F315 HydrophobicContact CD2-CB 4.45Å; L302-F315 HydrophobicContact CD2-CD1 4.14Å; V305-F315 HydrophobicContact CB-CE1 4.09Å; V305-F315 HydrophobicContact CB-CZ 3.99Å; V305-F315 HydrophobicContact CG2-CD1 3.8Å; V305-F315 HydrophobicContact CG2-CE1 3.53Å; V305-F315 HydrophobicContact CG2-CE2 4.39Å; V305-F315 HydrophobicContact CG2-CG 4.35Å; V305-F315 HydrophobicContact CG2-CZ 3.85Å; F315-W329 HydrophobicContact CB-CH2 3.33Å; F315-W329 HydrophobicContact CB-CZ2 4.34Å; F315-W329 HydrophobicContact CB-CZ3 3.53Å; F315-W329 HydrophobicContact CG-CH2 4.41Å; F315-W329 HydrophobicContact CG-CZ3 4.17Å; F315-I347 CarbonylContact O-C 3.58Å; F315-I347 WeakPolarHBondContact O-CA 3.33Å; F315-L348 HydrophobicContact CB-CB 4.38Å; F315-L348 HydrophobicContact CD2-CD2 4Å; F315-L348 PolarHBondContact N-O 2.97Å; F315-L348 PolarHBondContact O-N 3.26Å; F315-I350 HydrophobicContact CE2-CD1 4.46Å; F315-Y361 HydrophobicContact CD2-CD1 4.09Å; F315-Y361 HydrophobicContact CD2-CD2 4.29Å; F315-Y361 AromaticContact CD2-CG 3.92Å; F315-Y361 HydrophobicContact CD2-CG 3.92Å; F315-Y361 AromaticContact CE2-CD1 3.97Å; F315-Y361 HydrophobicContact CE2-CD1 3.97Å; F315-Y361 AromaticContact CE2-CD2 3.43Å; F315-Y361 HydrophobicContact CE2-CD2 3.43Å; F315-Y361 VanDerWaalsContact CE2-CD2 3.43Å; F315-Y361 HydrophobicContact CE2-CE1 4.33Å; F315-Y361 AromaticContact CE2-CE2 3.85Å; F315-Y361 HydrophobicContact CE2-CE2 3.85Å; F315-Y361 AromaticContact CE2-CG 3.52Å; F315-Y361 HydrophobicContact CE2-CG 3.52Å; F315-Y361 AromaticContact CZ-CD2 3.59Å; F315-Y361 HydrophobicContact CZ-CD2 3.59Å; F315-Y361 HydrophobicContact CZ-CE2 4.26Å; F315-Y361 AromaticContact CZ-CG 3.91Å; F315-Y361 HydrophobicContact CZ-CG 3.91Å; F315-L378 HydrophobicContact CE2-CB 4.16Å; F315-L378 HydrophobicContact CE2-CD1 4.28Å; F315-L378 HydrophobicContact CZ-CB 3.86Å; F315-L378 HydrophobicContact CZ-CD1 4.3Å |
| 316 | I | 80.5 | Confident | 70.5 | Confident | 26 Ų | 26 | 53.5 Ų | 53.5 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.7 | 178.7 | -53.9 | 177.1 | 0 | 0 | 0 | 108.3 | Q346 I347 I467 | I316-Q346 CarbonylContact C-O 3.58Å; I316-Q346 VanDerWaalsContact CA-O 3.32Å; I316-Q346 WeakPolarHBondContact CA-O 3.35Å; I316-I347 HydrophobicContact CG1-CG1 4.36Å; I316-I467 HydrophobicContact CD1-CB 4.44Å; I316-I467 HydrophobicContact CD1-CG1 4.49Å; I316-I467 HydrophobicContact CD1-CG2 4.38Å |
| 317 | C | 80.8 | Confident | 70.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -118.6 | 120.3 | 174.5 | -173.2 | 0 | 0 | 0 | 0 | 110.4 | L302 W329 Q346 C363 | L302-C317 HydrophobicContact CD1-CB 3.99Å; C317-W329 HydrophobicContact CB-CH2 3.96Å; C317-W329 HydrophobicContact CB-CZ2 3.6Å; C317-Q346 PolarHBondContact N-O 3.26Å; C317-Q346 WeakPolarHBondContact O-CA 2.99Å; C317-Q346 WeakPolarHBondContact O-CB 3.3Å; C317-Q346 WeakPolarHBondContact O-CG 3.24Å; C317-C363 HydrophobicContact CB-CB 3.49Å; C317-C363 VanDerWaalsContact CB-CB 3.49Å; C317-C363 WeakPolarHBondContact CB-SG 3.19Å; C317-C363 WeakPolarHBondContact SG-CB 3.48Å; C317-C363 CovalentContact SG-SG 2Å; C317-C363 PolarHBondContact SG-SG 2.89Å | ||
| 318 | R | 78.2 | Confident | 70.3 | Confident | 134 Ų | 134 | 50.4 Ų | 50.4 | 51% | 0.506 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 126.9 | 176.8 | -164.3 | 178.9 | -171.9 | 165.3 | 2.6 | 109.2 | V299 V300 | V299-R318 PolarHBondContact N-O 2.79Å; V300-R318 HydrophobicContact CB-CB 3.99Å; V300-R318 HydrophobicContact CG2-CB 3.8Å; V300-R318 PolarHBondContact N-O 3.13Å; V300-R318 VanDerWaalsContact N-O 3.12Å |
| 319 | G | 73.6 | Confident | 70.7 | Confident | 26 Ų | 26 | 50 Ų | 50 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 153.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | T297 | T297-G319 CarbonylContact O-C 3.43Å; T297-G319 WeakPolarHBondContact O-CA 3.16Å |
| 320 | E | 69.9 | Low | 71.2 | Confident | 132 Ų | 132 | 48.1 Ų | 48.1 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.8 | 171 | -97.9 | 167.3 | -156.8 | 0 | 0 | 108.7 | P296 T297 V299 | P296-E320 CarbonylContact C-O 3.54Å; T297-E320 PolarHBondContact N-O 3.38Å; T297-E320 PolarHBondContact O-N 3.22Å; V299-E320 HydrophobicContact CG2-CB 3.52Å; V299-E320 VanDerWaalsContact CG2-CD 3.48Å; V299-E320 HydrophobicContact CG2-CG 3.44Å; V299-E320 VanDerWaalsContact CG2-CG 3.44Å |
| 321 | S | 62.8 | Low | 72.1 | Confident | 40 Ų | 40 | 47 Ų | 47 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | trans | -154.6 | 137 | 175.1 | 168.9 | 0 | 0 | 0 | 0 | 107.7 | V323 S325 N367 | S321-V323 WeakPolarHBondContact CB-O 3.49Å; S321-V323 PolarHBondContact O-N 3.18Å; S321-V323 WeakPolarHBondContact OG-CG2 3.1Å; S321-V323 PolarHBondContact OG-N 3.49Å; S321-V323 VanDerWaalsContact OG-N 3.13Å; S321-V323 PolarHBondContact OG-O 2.78Å; S321-S325 WeakPolarHBondContact CB-OG 3.47Å; S321-S325 PolarHBondContact OG-OG 3.04Å; S321-N367 PolarHBondContact OG-ND2 2.89Å | ||
| 322 | G | 57 | Low | 72.6 | Confident | 59 Ų | 59 | 45 Ų | 45 | 61% | 0.608 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -63.9 | -12.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 323 | V | 64.8 | Low | 72.6 | Confident | 31 Ų | 31 | 44.5 Ų | 44.5 | 19% | 0.188 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -127.9 | 156.4 | 177.8 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | S321 S325 N367 Y369 | S321-V323 WeakPolarHBondContact CB-O 3.49Å; S321-V323 PolarHBondContact O-N 3.18Å; S321-V323 WeakPolarHBondContact OG-CG2 3.1Å; S321-V323 PolarHBondContact OG-N 3.49Å; S321-V323 VanDerWaalsContact OG-N 3.13Å; S321-V323 PolarHBondContact OG-O 2.78Å; V323-S325 PolarHBondContact O-N 2.72Å; V323-S325 PolarHBondContact O-OG 3.46Å; V323-N367 HydrophobicContact CG2-CB 4.06Å; V323-N367 VanDerWaalsContact CG2-ND2 3.32Å; V323-N367 WeakPolarHBondContact CG2-ND2 3.32Å; V323-Y369 HydrophobicContact CG1-CE2 4.09Å; V323-Y369 HydrophobicContact CG2-CD2 3.8Å; V323-Y369 HydrophobicContact CG2-CE2 3.95Å |
| 324 | P | 62.2 | Low | 72.2 | Confident | 126 Ų | 126 | 52 Ų | 52 | 82% | 0.818 | 29% | 0.286 | S | S | * | . | trans | -53.3 | 127.3 | 179.8 | -25.4 | 34.3 | 0 | 0 | 0 | 112.3 | N367 | P324-N367 WeakPolarHBondContact O-CB 3.43Š| ||
| 325 | S | 67.8 | Low | 71.6 | Confident | 42 Ų | 42 | 47.9 Ų | 47.9 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | trans | -119.2 | 142.3 | 179.2 | -54.2 | 0 | 0 | 0 | 0 | 110.6 | S321 V323 S366 | S321-S325 WeakPolarHBondContact CB-OG 3.47Å; S321-S325 PolarHBondContact OG-OG 3.04Å; V323-S325 PolarHBondContact O-N 2.72Å; V323-S325 PolarHBondContact O-OG 3.46Å; S325-S366 CarbonylContact C-O 3.6Å; S325-S366 VanDerWaalsContact CA-O 3.22Å; S325-S366 WeakPolarHBondContact CA-O 3.4Å | ||
| 326 | Q | 68.8 | Low | 70.6 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 140.8 | 175.4 | -70.1 | 170.1 | 18.4 | 0 | 0 | 110.4 | Q251 L365 S366 | Q251-Q326 HydrophobicContact CB-CG 4.45Å; Q251-Q326 VanDerWaalsContact CB-NE2 3.28Å; Q326-L365 CarbonylContact O-C 3.58Å; Q326-L365 VanDerWaalsContact O-CA 3.28Å; Q326-L365 WeakPolarHBondContact O-CA 3.32Å; Q326-S366 PolarHBondContact N-O 3.4Å; Q326-S366 PolarHBondContact O-N 3.02Å |
| 327 | I | 73.7 | Confident | 69.6 | Low | 18 Ų | 18 | 57.6 Ų | 57.6 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.6 | 173.7 | -65.5 | 171.4 | 0 | 0 | 0 | 108.8 | R345 Q346 V364 L365 | I327-R345 HydrophobicContact CB-CB 4.31Å; I327-R345 HydrophobicContact CG2-CB 4.14Å; I327-R345 VanDerWaalsContact CG2-O 3.32Å; I327-R345 WeakPolarHBondContact CG2-O 3.26Å; I327-R345 VanDerWaalsContact O-CD 3.22Å; I327-R345 WeakPolarHBondContact O-CD 3.37Å; I327-Q346 HydrophobicContact CD1-CB 4.39Å; I327-Q346 HydrophobicContact CD1-CG 3.52Å; I327-V364 WeakPolarHBondContact CA-O 3.49Å; I327-L365 HydrophobicContact CD1-CD2 4.21Å; I327-L365 HydrophobicContact CG1-CD2 3.64Å; I327-L365 HydrophobicContact CG1-CG 4.07Å |
| 328 | T | 73.1 | Confident | 68.8 | Low | 40 Ų | 40 | 62.1 Ų | 62.1 | 25% | 0.245 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144.6 | 174 | -52.8 | 0 | 0 | 0 | 0 | 110 | V364 | T328-V364 PolarHBondContact N-O 3.43Å; T328-V364 PolarHBondContact O-N 2.93Å |
| 329 | W | 77 | Confident | 68.3 | Low | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.3 | 176.2 | -70.1 | 88.2 | 0 | 0 | 0 | 111.8 | Q220 L302 F315 C317 L331 L341 R345 L348 T362 C363 | Q220-W329 PolarHBondContact N-O 2.92Å; L302-W329 HydrophobicContact CD1-CH2 4.41Å; L302-W329 HydrophobicContact CD2-CH2 3.72Å; L302-W329 HydrophobicContact CD2-CZ3 3.43Å; L302-W329 VanDerWaalsContact CD2-CZ3 3.43Å; L302-W329 HydrophobicContact CG-CH2 4.22Å; L302-W329 HydrophobicContact CG-CZ3 4.41Å; F315-W329 HydrophobicContact CB-CH2 3.33Å; F315-W329 HydrophobicContact CB-CZ2 4.34Å; F315-W329 HydrophobicContact CB-CZ3 3.53Å; F315-W329 HydrophobicContact CG-CH2 4.41Å; F315-W329 HydrophobicContact CG-CZ3 4.17Å; C317-W329 HydrophobicContact CB-CH2 3.96Å; C317-W329 HydrophobicContact CB-CZ2 3.6Å; W329-L331 HydrophobicContact CB-CD2 3.91Å; W329-L341 HydrophobicContact CG-CD2 4.29Å; W329-R345 PolarHBondContact NE1-O 2.97Å; W329-L348 HydrophobicContact CB-CD1 3.94Å; W329-L348 HydrophobicContact CD2-CB 3.82Å; W329-L348 HydrophobicContact CD2-CD1 3.68Å; W329-L348 HydrophobicContact CD2-CG 4.41Å; W329-L348 HydrophobicContact CE3-CB 4.05Å; W329-L348 HydrophobicContact CE3-CD1 3.78Å; W329-L348 HydrophobicContact CG-CB 4.41Å; W329-L348 HydrophobicContact CG-CD1 3.74Å; W329-L348 HydrophobicContact CH2-CB 4.1Å; W329-L348 HydrophobicContact CZ2-CB 3.84Å; W329-L348 HydrophobicContact CZ3-CB 4.15Å; W329-T362 CarbonylContact C-O 3.54Å; W329-T362 WeakPolarHBondContact CA-O 3.24Å; W329-C363 HydrophobicContact CE3-CB 4.47Å; W329-C363 HydrophobicContact CH2-CB 4.16Å; W329-C363 HydrophobicContact CZ2-CB 4.34Å; W329-C363 HydrophobicContact CZ3-CB 4.27Å |
| 330 | I | 77.7 | Confident | 67.7 | Low | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.051 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.3 | 167.1 | -56.4 | 175.6 | 0 | 0 | 0 | 107.3 | I222 R227 L231 Y361 T362 V364 | I222-I330 HydrophobicContact CD1-CG2 3.68Å; I222-I330 HydrophobicContact CG1-CG2 3.67Å; R227-I330 HydrophobicContact CG-CG2 4.46Å; L231-I330 HydrophobicContact CD2-CD1 4.23Å; I330-Y361 WeakPolarHBondContact O-CA 3.1Å; I330-T362 PolarHBondContact N-O 3.32Å; I330-T362 PolarHBondContact O-N 3.34Å; I330-V364 HydrophobicContact CD1-CG2 3.8Å; I330-V364 HydrophobicContact CG1-CG2 4.07Å |
| 331 | L | 80.3 | Confident | 67.4 | Low | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 157.3 | -174 | -46 | 179.5 | 0 | 0 | 0 | 110.9 | Y219 Q220 W329 A335 I339 L348 Y361 | Y219-L331 VanDerWaalsContact CB-CD1 3.49Å; Y219-L331 HydrophobicContact CD1-CD1 4.47Å; Y219-L331 HydrophobicContact CD2-CD1 3.79Å; Y219-L331 HydrophobicContact CG-CD1 3.68Å; Q220-L331 PolarHBondContact O-N 3.06Å; W329-L331 HydrophobicContact CB-CD2 3.91Å; L331-A335 WeakPolarHBondContact CD1-O 3.42Å; L331-I339 HydrophobicContact CD1-CD1 3.68Å; L331-L348 HydrophobicContact CD2-CD1 3.28Å; L331-Y361 HydrophobicContact CD2-CD1 3.44Å; L331-Y361 VanDerWaalsContact CD2-CD1 3.44Å; L331-Y361 HydrophobicContact CD2-CE1 3.66Å |
| 332 | P | 78.1 | Confident | 67 | Low | 18 Ų | 18 | 58.2 Ų | 58.2 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | trans | -55.9 | 143.4 | 165.4 | -22 | 32.4 | 0 | 0 | 0 | 111.4 | K334 A335 S360 Y361 | P332-K334 PolarHBondContact O-N 3.27Å; P332-A335 HydrophobicContact CB-CB 3.94Å; P332-A335 HydrophobicContact CG-CB 4.09Å; P332-A335 WeakPolarHBondContact O-CB 3.45Å; P332-A335 PolarHBondContact O-N 3.37Å; P332-S360 WeakPolarHBondContact CD-O 3.34Å; P332-Y361 HydrophobicContact CG-CE2 4.11Å | ||
| 333 | V | 65 | Low | 67.2 | Low | 76 Ų | 76 | 61.2 Ų | 61.2 | 46% | 0.461 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -37.8 | -173.4 | 179.8 | 0 | 0 | 0 | 0 | 113.9 | I222 N223 | I222-V333 WeakPolarHBondContact O-CG2 3.36Å; N223-V333 HydrophobicContact CB-CG2 3.94Å; N223-V333 VanDerWaalsContact N-CG2 3.32Å |
| 334 | K | 65.1 | Low | 67 | Low | 159 Ų | 159 | 68 Ų | 68 | 69% | 0.691 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -12.6 | -175.9 | -60.6 | -176.9 | 179.1 | 179.8 | 0 | 113.5 | P332 T336 Y356 | P332-K334 PolarHBondContact O-N 3.27Å; K334-T336 VanDerWaalsContact C-N 3.34Å; K334-T336 PolarHBondContact O-N 2.64Å; K334-Y356 WeakPolarHBondContact O-CD2 3.45Å |
| 335 | A | 65.6 | Low | 67.3 | Low | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 68.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L331 P332 I339 Y361 | L331-A335 WeakPolarHBondContact CD1-O 3.42Å; P332-A335 HydrophobicContact CB-CB 3.94Å; P332-A335 HydrophobicContact CG-CB 4.09Å; P332-A335 WeakPolarHBondContact O-CB 3.45Å; P332-A335 PolarHBondContact O-N 3.37Å; A335-I339 HydrophobicContact CB-CD1 4.34Å; A335-I339 WeakPolarHBondContact O-CD1 3.5Å; A335-Y361 WeakPolarHBondContact CB-OH 3.38Å |
| 336 | T | 61.4 | Low | 67.6 | Low | 54 Ų | 54 | 64.4 Ų | 64.4 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -20.4 | 178.9 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | Y219 A221 K334 | Y219-T336 HydrophobicContact CD2-CG2 4.34Å; Y219-T336 HydrophobicContact CE2-CG2 3.8Å; A221-T336 HydrophobicContact CB-CG2 3.96Å; K334-T336 VanDerWaalsContact C-N 3.34Å; K334-T336 PolarHBondContact O-N 2.64Å |
| 337 | R | 58.9 | Low | 67.8 | Low | 179 Ų | 179 | 62.8 Ų | 62.8 | 68% | 0.675 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -81.5 | 158.1 | 174.3 | -67 | -174.6 | 175.6 | -168.1 | -1.8 | 109.7 | I339 Y356 H357 | R337-I339 PolarHBondContact O-N 3.07Å; R337-Y356 HydrophobicContact CB-CE2 4.39Å; R337-H357 PolarHBondContact O-NE2 3.4Å |
| 338 | Y | 64.4 | Low | 68.2 | Low | 95 Ų | 95 | 61.9 Ų | 61.9 | 37% | 0.373 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 59 | 4.9 | 177.3 | -54.1 | -76.3 | 0 | 0 | 0 | 116.3 | I350 T351 E352 H354 Y356 H357 | Y338-I350 CarbonylContact O-C 3.22Å; Y338-I350 VanDerWaalsContact O-CA 3.32Å; Y338-I350 WeakPolarHBondContact O-CA 3.11Å; Y338-T351 WeakPolarHBondContact CB-OG1 3.34Å; Y338-T351 PolarHBondContact O-N 3.45Å; Y338-T351 PolarHBondContact O-OG1 3.37Å; Y338-E352 HydrophobicContact CD1-CB 3.74Å; Y338-E352 HydrophobicContact CE1-CB 4.11Å; Y338-E352 WeakPolarHBondContact CE1-OE2 3.29Å; Y338-E352 HydrophobicContact CG-CB 3.97Å; Y338-H354 AromaticContact CD2-CE1 3.89Å; Y338-H354 AromaticContact CD2-ND1 3.83Å; Y338-H354 AromaticContact CE2-CE1 3.43Å; Y338-H354 VanDerWaalsContact CE2-CE1 3.43Å; Y338-H354 WeakPolarHBondContact CE2-CE1 3.31Å; Y338-H354 AromaticContact CE2-ND1 3.79Å; Y338-H354 AromaticContact CZ-CE1 3.76Å; Y338-Y356 VanDerWaalsContact CD2-OH 3.26Å; Y338-Y356 WeakPolarHBondContact CD2-OH 3.27Å; Y338-Y356 WeakPolarHBondContact CE2-OH 3.17Å; Y338-H357 AromaticContact CD2-CE1 3.9Å |
| 339 | I | 67.3 | Low | 68.5 | Low | 23 Ų | 23 | 60.5 Ų | 60.5 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.5 | 179 | -68.9 | 174.8 | 0 | 0 | 0 | 110.8 | L331 A335 R337 L348 E349 I350 Y361 | L331-I339 HydrophobicContact CD1-CD1 3.68Å; A335-I339 HydrophobicContact CB-CD1 4.34Å; A335-I339 WeakPolarHBondContact O-CD1 3.5Å; R337-I339 PolarHBondContact O-N 3.07Å; I339-L348 HydrophobicContact CG2-CD1 3.96Å; I339-L348 HydrophobicContact CG2-CD2 4.19Å; I339-L348 HydrophobicContact CG2-CG 3.82Å; I339-E349 CarbonylContact C-O 3.54Å; I339-E349 VanDerWaalsContact CA-O 3.23Å; I339-E349 WeakPolarHBondContact CA-O 3.5Å; I339-I350 HydrophobicContact CD1-CG1 4.3Å; I339-I350 HydrophobicContact CG1-CG1 3.75Å; I339-Y361 HydrophobicContact CD1-CE1 4.16Å |
| 340 | R | 60.2 | Low | 68.5 | Low | 119 Ų | 119 | 60.5 Ų | 60.5 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.8 | 171.9 | -66.6 | -175.4 | 179.6 | 163.7 | -0.9 | 109.6 | Y342 E349 T351 | R340-Y342 HydrophobicContact CB-CD2 4.31Å; R340-Y342 HydrophobicContact CB-CE2 3.57Å; R340-Y342 WeakPolarHBondContact CD-OH 3.43Å; R340-E349 PolarHBondContact N-O 3.04Å; R340-E349 PolarHBondContact O-N 2.97Å; R340-T351 HydrophobicContact CG-CG2 4.05Å |
| 341 | L | 63.7 | Low | 67.9 | Low | 35 Ų | 35 | 61.7 Ų | 61.7 | 18% | 0.183 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.1 | 176.3 | -64.1 | 176.9 | 0 | 0 | 0 | 108.4 | W329 R345 I347 L348 | W329-L341 HydrophobicContact CG-CD2 4.29Å; L341-R345 HydrophobicContact CB-CG 4.32Å; L341-R345 HydrophobicContact CD1-CB 4.44Å; L341-R345 HydrophobicContact CD1-CG 4.06Å; L341-I347 CarbonylContact C-O 3.5Å; L341-I347 VanDerWaalsContact CA-O 3.31Å; L341-I347 WeakPolarHBondContact CA-O 3.43Å; L341-L348 HydrophobicContact CD2-CB 3.82Å; L341-L348 HydrophobicContact CD2-CD1 3.97Å; L341-L348 HydrophobicContact CD2-CG 3.95Å |
| 342 | Y | 55.5 | Low | 67.3 | Low | 72 Ų | 72 | 65 Ų | 65 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 166.5 | 178.3 | -59.4 | -84.9 | 0 | 0 | 0 | 111.3 | R340 R344 R345 Q346 I347 E349 | R340-Y342 HydrophobicContact CB-CD2 4.31Å; R340-Y342 HydrophobicContact CB-CE2 3.57Å; R340-Y342 WeakPolarHBondContact CD-OH 3.43Å; Y342-R344 PolarHBondContact O-N 3.26Å; Y342-R345 CarbonylContact O-C 3.49Å; Y342-R345 WeakPolarHBondContact O-CA 3.13Å; Y342-R345 PolarHBondContact O-N 2.84Å; Y342-Q346 PolarHBondContact O-N 3.38Å; Y342-I347 HydrophobicContact CD2-CG2 4.47Å; Y342-I347 PolarHBondContact N-O 2.95Å; Y342-I347 PolarHBondContact O-N 3.45Å; Y342-I347 VanDerWaalsContact O-N 3.12Å; Y342-E349 HydrophobicContact CD2-CB 3.87Å; Y342-E349 HydrophobicContact CE2-CB 3.6Å; Y342-E349 HydrophobicContact CE2-CG 4.16Å; Y342-E349 WeakPolarHBondContact CE2-OE1 3.47Å; Y342-E349 PolarHBondContact OH-OE1 3.04Å |
| 343 | R | 61 | Low | 67.1 | Low | 122 Ų | 122 | 64.2 Ų | 64.2 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47 | 60.4 | 175.4 | -67.8 | -164.3 | 174.6 | -174.5 | -2.5 | 113.5 | R345 Q346 I347 T463 D464 | R343-R345 PolarHBondContact O-N 3.18Å; R343-Q346 HydrophobicContact CB-CB 4.22Å; R343-Q346 WeakPolarHBondContact O-CB 3.33Å; R343-Q346 WeakPolarHBondContact O-CG 3.33Å; R343-Q346 PolarHBondContact O-N 3.31Å; R343-I347 HydrophobicContact CB-CD1 4.35Å; R343-I347 HydrophobicContact CB-CG1 4.44Å; R343-I347 HydrophobicContact CG-CD1 4.03Å; R343-T463 VanDerWaalsContact NH2-CB 3.34Å; R343-T463 PolarHBondContact NH2-OG1 3.07Å; R343-D464 IonicContact NH1-OD1 2.95Å |
| 344 | R | 60.6 | Low | 67.7 | Low | 174 Ų | 174 | 62.9 Ų | 62.9 | 66% | 0.657 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 43.2 | -176.7 | -56.7 | -177.5 | -179.1 | -177.1 | -1.6 | 112.2 | E169 Y342 Q346 | E169-R344 IonicContact OE1-CZ 3Å; E169-R344 VanDerWaalsContact OE1-CZ 3.22Å; E169-R344 IonicContact OE1-NE 3.56Å; E169-R344 PolarHBondContact OE1-NE 3.19Å; E169-R344 IonicContact OE1-NH2 3.24Å; E169-R344 PolarHBondContact OE1-NH2 3.45Å; Y342-R344 PolarHBondContact O-N 3.26Å; R344-Q346 PolarHBondContact O-N 3.06Å; R344-Q346 VanDerWaalsContact O-N 3.16Å |
| 345 | R | 68.6 | Low | 68.5 | Low | 27 Ų | 27 | 60.9 Ų | 60.9 | 10% | 0.102 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 10.7 | -179.8 | -45.9 | 154.6 | 169.8 | -95.4 | -26.2 | 114.3 | G218 D252 F253 G254 I327 W329 L341 Y342 R343 I347 | G218-R345 PolarHBondContact O-NH1 2.99Å; D252-R345 VanDerWaalsContact O-CZ 3.3Å; D252-R345 PolarHBondContact O-NE 3.22Å; D252-R345 PolarHBondContact O-NH2 2.9Å; F253-R345 VanDerWaalsContact CA-NH2 3.32Å; F253-R345 PolarHBondContact O-NH2 3.42Å; G254-R345 VanDerWaalsContact CA-CZ 3.46Å; G254-R345 VanDerWaalsContact CA-NH2 3.28Å; G254-R345 VanDerWaalsContact N-NH2 3.11Å; I327-R345 HydrophobicContact CB-CB 4.31Å; I327-R345 HydrophobicContact CG2-CB 4.14Å; I327-R345 VanDerWaalsContact CG2-O 3.32Å; I327-R345 WeakPolarHBondContact CG2-O 3.26Å; I327-R345 VanDerWaalsContact O-CD 3.22Å; I327-R345 WeakPolarHBondContact O-CD 3.37Å; W329-R345 PolarHBondContact NE1-O 2.97Å; L341-R345 HydrophobicContact CB-CG 4.32Å; L341-R345 HydrophobicContact CD1-CB 4.44Å; L341-R345 HydrophobicContact CD1-CG 4.06Å; Y342-R345 CarbonylContact O-C 3.49Å; Y342-R345 WeakPolarHBondContact O-CA 3.13Å; Y342-R345 PolarHBondContact O-N 2.84Å; R343-R345 PolarHBondContact O-N 3.18Å; R345-I347 PolarHBondContact O-N 3.27Å |
| 346 | Q | 73.4 | Confident | 69.3 | Low | 65 Ų | 65 | 63.6 Ų | 63.6 | 30% | 0.304 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25 | 171.7 | -69 | 175.5 | -9.2 | 0 | 0 | 111.6 | I316 C317 I327 Y342 R343 R344 | I316-Q346 CarbonylContact C-O 3.58Å; I316-Q346 VanDerWaalsContact CA-O 3.32Å; I316-Q346 WeakPolarHBondContact CA-O 3.35Å; C317-Q346 PolarHBondContact N-O 3.26Å; C317-Q346 WeakPolarHBondContact O-CA 2.99Å; C317-Q346 WeakPolarHBondContact O-CB 3.3Å; C317-Q346 WeakPolarHBondContact O-CG 3.24Å; I327-Q346 HydrophobicContact CD1-CB 4.39Å; I327-Q346 HydrophobicContact CD1-CG 3.52Å; Y342-Q346 PolarHBondContact O-N 3.38Å; R343-Q346 HydrophobicContact CB-CB 4.22Å; R343-Q346 WeakPolarHBondContact O-CB 3.33Å; R343-Q346 WeakPolarHBondContact O-CG 3.33Å; R343-Q346 PolarHBondContact O-N 3.31Å; R344-Q346 PolarHBondContact O-N 3.06Å; R344-Q346 VanDerWaalsContact O-N 3.16Å |
| 347 | I | 73 | Confident | 70.4 | Confident | 29 Ų | 29 | 61 Ų | 61 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.7 | 179.3 | -55.9 | 175.7 | 0 | 0 | 0 | 108 | R314 F315 I316 L341 Y342 R343 R345 | R314-I347 HydrophobicContact CB-CG2 4.47Å; R314-I347 HydrophobicContact CG-CG2 4.4Å; F315-I347 CarbonylContact O-C 3.58Å; F315-I347 WeakPolarHBondContact O-CA 3.33Å; I316-I347 HydrophobicContact CG1-CG1 4.36Å; L341-I347 CarbonylContact C-O 3.5Å; L341-I347 VanDerWaalsContact CA-O 3.31Å; L341-I347 WeakPolarHBondContact CA-O 3.43Å; Y342-I347 HydrophobicContact CD2-CG2 4.47Å; Y342-I347 PolarHBondContact N-O 2.95Å; Y342-I347 PolarHBondContact O-N 3.45Å; Y342-I347 VanDerWaalsContact O-N 3.12Å; R343-I347 HydrophobicContact CB-CD1 4.35Å; R343-I347 HydrophobicContact CB-CG1 4.44Å; R343-I347 HydrophobicContact CG-CD1 4.03Å; R345-I347 PolarHBondContact O-N 3.27Å |
| 348 | L | 82.7 | Confident | 71.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.3 | 162.8 | -177.9 | 148.8 | 0 | 0 | 0 | 108 | R314 F315 W329 L331 I339 L341 I350 Y361 | R314-L348 CarbonylContact C-O 3.54Å; R314-L348 VanDerWaalsContact CA-O 3.26Å; R314-L348 WeakPolarHBondContact CA-O 3.47Å; F315-L348 HydrophobicContact CB-CB 4.38Å; F315-L348 HydrophobicContact CD2-CD2 4Å; F315-L348 PolarHBondContact N-O 2.97Å; F315-L348 PolarHBondContact O-N 3.26Å; W329-L348 HydrophobicContact CB-CD1 3.94Å; W329-L348 HydrophobicContact CD2-CB 3.82Å; W329-L348 HydrophobicContact CD2-CD1 3.68Å; W329-L348 HydrophobicContact CD2-CG 4.41Å; W329-L348 HydrophobicContact CE3-CB 4.05Å; W329-L348 HydrophobicContact CE3-CD1 3.78Å; W329-L348 HydrophobicContact CG-CB 4.41Å; W329-L348 HydrophobicContact CG-CD1 3.74Å; W329-L348 HydrophobicContact CH2-CB 4.1Å; W329-L348 HydrophobicContact CZ2-CB 3.84Å; W329-L348 HydrophobicContact CZ3-CB 4.15Å; L331-L348 HydrophobicContact CD2-CD1 3.28Å; I339-L348 HydrophobicContact CG2-CD1 3.96Å; I339-L348 HydrophobicContact CG2-CD2 4.19Å; I339-L348 HydrophobicContact CG2-CG 3.82Å; L341-L348 HydrophobicContact CD2-CB 3.82Å; L341-L348 HydrophobicContact CD2-CD1 3.97Å; L341-L348 HydrophobicContact CD2-CG 3.95Å; L348-I350 HydrophobicContact CD2-CD1 4.36Å; L348-I350 HydrophobicContact CD2-CG1 3.98Å; L348-Y361 HydrophobicContact CD1-CD1 4.07Å; L348-Y361 HydrophobicContact CD1-CE1 4.34Å; L348-Y361 HydrophobicContact CD2-CD1 3.91Å; L348-Y361 HydrophobicContact CD2-CE1 3.81Å |
| 349 | E | 79.1 | Confident | 72.7 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.051 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.2 | 175.9 | -177.5 | 178.3 | 93.1 | 0 | 0 | 109.2 | I312 A313 R314 I339 R340 Y342 T351 | I312-E349 HydrophobicContact CG2-CG 3.53Å; A313-E349 CarbonylContact O-C 3.54Å; A313-E349 WeakPolarHBondContact O-CA 3.35Å; R314-E349 HydrophobicContact CG-CB 4.03Å; R314-E349 HydrophobicContact CG-CG 3.86Å; R314-E349 IonicContact CZ-OE2 3.24Å; R314-E349 IonicContact NE-OE2 2.8Å; R314-E349 PolarHBondContact NE-OE2 3.18Å; R314-E349 IonicContact NH2-OE2 4Å; R314-E349 PolarHBondContact NH2-OE2 3.32Å; I339-E349 CarbonylContact C-O 3.54Å; I339-E349 VanDerWaalsContact CA-O 3.23Å; I339-E349 WeakPolarHBondContact CA-O 3.5Å; R340-E349 PolarHBondContact N-O 3.04Å; R340-E349 PolarHBondContact O-N 2.97Å; Y342-E349 HydrophobicContact CD2-CB 3.87Å; Y342-E349 HydrophobicContact CE2-CB 3.6Å; Y342-E349 HydrophobicContact CE2-CG 4.16Å; Y342-E349 WeakPolarHBondContact CE2-OE1 3.47Å; Y342-E349 PolarHBondContact OH-OE1 3.04Å; E349-T351 HydrophobicContact CG-CG2 4.49Å; E349-T351 WeakPolarHBondContact OE1-CG2 3.45Å |
| 350 | I | 76.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 108.1 | 163.9 | -58.4 | 153.8 | 0 | 0 | 0 | 104.9 | I312 A313 F315 Y338 I339 L348 E352 A353 H357 Y361 L378 | I312-I350 CarbonylContact C-O 3.59Å; I312-I350 VanDerWaalsContact CA-O 3.24Å; I312-I350 WeakPolarHBondContact CA-O 3.34Å; I312-I350 WeakPolarHBondContact CG2-O 3.29Å; A313-I350 HydrophobicContact CB-CB 4.23Å; A313-I350 HydrophobicContact CB-CD1 4Å; A313-I350 PolarHBondContact N-O 2.93Å; A313-I350 PolarHBondContact O-N 3.48Å; F315-I350 HydrophobicContact CE2-CD1 4.46Å; Y338-I350 CarbonylContact O-C 3.22Å; Y338-I350 VanDerWaalsContact O-CA 3.32Å; Y338-I350 WeakPolarHBondContact O-CA 3.11Å; I339-I350 HydrophobicContact CD1-CG1 4.3Å; I339-I350 HydrophobicContact CG1-CG1 3.75Å; L348-I350 HydrophobicContact CD2-CD1 4.36Å; L348-I350 HydrophobicContact CD2-CG1 3.98Å; I350-E352 WeakPolarHBondContact CG2-O 3.29Å; I350-E352 PolarHBondContact O-N 2.96Å; I350-A353 HydrophobicContact CG2-CB 4.33Å; I350-H357 HydrophobicContact CD1-CB 4.26Å; I350-Y361 HydrophobicContact CD1-CE1 4.18Å; I350-Y361 HydrophobicContact CD1-CE2 4.48Å; I350-Y361 WeakPolarHBondContact CD1-OH 3.29Å; I350-L378 HydrophobicContact CD1-CD2 3.53Å |
| 351 | T | 65.1 | Low | 74.9 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -66.1 | -20.8 | -177.2 | 59.8 | 0 | 0 | 0 | 0 | 112.4 | I312 Y338 R340 E349 | I312-T351 WeakPolarHBondContact CG1-O 3.49Å; Y338-T351 WeakPolarHBondContact CB-OG1 3.34Å; Y338-T351 PolarHBondContact O-N 3.45Å; Y338-T351 PolarHBondContact O-OG1 3.37Å; R340-T351 HydrophobicContact CG-CG2 4.05Å; E349-T351 HydrophobicContact CG-CG2 4.49Å; E349-T351 WeakPolarHBondContact OE1-CG2 3.45Å |
| 352 | E | 68 | Low | 75.9 | Confident | 73 Ų | 73 | 46.1 Ų | 46.1 | 34% | 0.341 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -153.2 | 101.6 | 177.4 | -165.9 | 179.4 | 177.3 | 0 | 0 | 110.8 | Y338 I350 H354 H357 | Y338-E352 HydrophobicContact CD1-CB 3.74Å; Y338-E352 HydrophobicContact CE1-CB 4.11Å; Y338-E352 WeakPolarHBondContact CE1-OE2 3.29Å; Y338-E352 HydrophobicContact CG-CB 3.97Å; I350-E352 WeakPolarHBondContact CG2-O 3.29Å; I350-E352 PolarHBondContact O-N 2.96Å; E352-H354 VanDerWaalsContact CG-CE1 3.5Å; E352-H354 WeakPolarHBondContact CG-CE1 3.36Å; E352-H354 PolarHBondContact O-N 3.07Å; E352-H354 PolarHBondContact O-ND1 3.31Å; E352-H354 IonicContact OE1-CE1 2.7Å; E352-H354 IonicContact OE1-NE2 3.22Å; E352-H354 IonicContact OE2-CE1 2.89Å; E352-H357 PolarHBondContact O-CE1 3.16Å; E352-H357 VanDerWaalsContact O-CE1 3.29Å |
| 353 | A | 73.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -73.9 | 114.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V307 A309 G310 E311 A313 I350 L380 | V307-A353 HydrophobicContact CB-CB 4.48Å; V307-A353 HydrophobicContact CG1-CB 3.47Å; V307-A353 VanDerWaalsContact CG1-CB 3.47Å; V307-A353 HydrophobicContact CG2-CB 4.13Å; A309-A353 CarbonylContact C-O 3.18Å; A309-A353 VanDerWaalsContact C-O 3.28Å; A309-A353 WeakPolarHBondContact CA-O 3.32Å; G310-A353 PolarHBondContact N-O 3.39Å; E311-A353 VanDerWaalsContact O-CB 3.26Å; E311-A353 WeakPolarHBondContact O-CB 3.33Å; E311-A353 PolarHBondContact O-N 3.26Å; A313-A353 HydrophobicContact CB-CB 4.45Å; I350-A353 HydrophobicContact CG2-CB 4.33Å; A353-L380 HydrophobicContact CB-CD2 4.15Å | ||
| 354 | H | 78 | Confident | 78.5 | Confident | 49 Ų | 49 | 37.7 Ų | 37.7 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | trans | -108.2 | 167.7 | 173.5 | -64.5 | 75.6 | 0 | 0 | 0 | 112.3 | Y338 E352 Y356 H357 | Y338-H354 AromaticContact CD2-CE1 3.89Å; Y338-H354 AromaticContact CD2-ND1 3.83Å; Y338-H354 AromaticContact CE2-CE1 3.43Å; Y338-H354 VanDerWaalsContact CE2-CE1 3.43Å; Y338-H354 WeakPolarHBondContact CE2-CE1 3.31Å; Y338-H354 AromaticContact CE2-ND1 3.79Å; Y338-H354 AromaticContact CZ-CE1 3.76Å; E352-H354 VanDerWaalsContact CG-CE1 3.5Å; E352-H354 WeakPolarHBondContact CG-CE1 3.36Å; E352-H354 PolarHBondContact O-N 3.07Å; E352-H354 PolarHBondContact O-ND1 3.31Å; E352-H354 IonicContact OE1-CE1 2.7Å; E352-H354 IonicContact OE1-NE2 3.22Å; E352-H354 IonicContact OE2-CE1 2.89Å; H354-Y356 VanDerWaalsContact C-N 3.25Å; H354-Y356 HydrophobicContact CB-CD1 3.72Å; H354-Y356 HydrophobicContact CB-CE1 3.25Å; H354-Y356 HydrophobicContact CB-CE2 4.25Å; H354-Y356 HydrophobicContact CB-CG 4.37Å; H354-Y356 AromaticContact CD2-CE1 3.99Å; H354-Y356 AromaticContact CG-CE1 3.66Å; H354-Y356 AromaticContact CG-CZ 3.78Å; H354-Y356 PolarHBondContact ND1-OH 2.94Å; H354-Y356 PolarHBondContact O-N 3.48Å; H354-H357 WeakPolarHBondContact CA-ND1 3.48Å; H354-H357 WeakPolarHBondContact CB-ND1 3.5Å; H354-H357 PolarHBondContact N-ND1 2.94Å; H354-H357 AromaticContact ND1-CE1 3.72Å; H354-H357 WeakPolarHBondContact O-CB 3.43Å; H354-H357 PolarHBondContact O-N 3.4Å; H354-H357 PolarHBondContact O-ND1 2.9Å | ||
| 355 | D | 82 | Confident | 79.4 | Confident | 116 Ų | 116 | 29.6 Ų | 29.6 | 62% | 0.62 | 15% | 0.151 | S | C | * | . | G | 310 helix | trans | -50 | -40.5 | 176.8 | 65.2 | -25.7 | 0 | 0 | 0 | 113.7 | H357 E358 L380 | D355-H357 PolarHBondContact O-N 3.33Å; D355-E358 WeakPolarHBondContact O-CB 3.49Å; D355-E358 PolarHBondContact O-N 3.26Å; D355-L380 VanDerWaalsContact CA-CD1 3.45Å; D355-L380 HydrophobicContact CB-CD1 4.26Å |
| 356 | Y | 82.1 | Confident | 79.7 | Confident | 58 Ų | 58 | 29.6 Ų | 29.6 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -74.8 | -4.8 | 178.3 | 61.3 | -99 | 0 | 0 | 0 | 115.1 | K334 R337 Y338 H354 | K334-Y356 WeakPolarHBondContact O-CD2 3.45Å; R337-Y356 HydrophobicContact CB-CE2 4.39Å; Y338-Y356 VanDerWaalsContact CD2-OH 3.26Å; Y338-Y356 WeakPolarHBondContact CD2-OH 3.27Å; Y338-Y356 WeakPolarHBondContact CE2-OH 3.17Å; H354-Y356 VanDerWaalsContact C-N 3.25Å; H354-Y356 HydrophobicContact CB-CD1 3.72Å; H354-Y356 HydrophobicContact CB-CE1 3.25Å; H354-Y356 HydrophobicContact CB-CE2 4.25Å; H354-Y356 HydrophobicContact CB-CG 4.37Å; H354-Y356 AromaticContact CD2-CE1 3.99Å; H354-Y356 AromaticContact CG-CE1 3.66Å; H354-Y356 AromaticContact CG-CZ 3.78Å; H354-Y356 PolarHBondContact ND1-OH 2.94Å; H354-Y356 PolarHBondContact O-N 3.48Å |
| 357 | H | 84.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -86.4 | -16.7 | 167.5 | -58 | 95.6 | 0 | 0 | 0 | 112.1 | R337 Y338 I350 E352 H354 D355 G359 Y361 L378 | R337-H357 PolarHBondContact O-NE2 3.4Å; Y338-H357 AromaticContact CD2-CE1 3.9Å; I350-H357 HydrophobicContact CD1-CB 4.26Å; E352-H357 PolarHBondContact O-CE1 3.16Å; E352-H357 VanDerWaalsContact O-CE1 3.29Å; H354-H357 WeakPolarHBondContact CA-ND1 3.48Å; H354-H357 WeakPolarHBondContact CB-ND1 3.5Å; H354-H357 PolarHBondContact N-ND1 2.94Å; H354-H357 AromaticContact ND1-CE1 3.72Å; H354-H357 WeakPolarHBondContact O-CB 3.43Å; H354-H357 PolarHBondContact O-N 3.4Å; H354-H357 PolarHBondContact O-ND1 2.9Å; D355-H357 PolarHBondContact O-N 3.33Å; H357-G359 PolarHBondContact O-N 3.47Å; H357-Y361 VanDerWaalsContact O-CE2 3.25Å; H357-Y361 WeakPolarHBondContact O-CE2 3.26Å; H357-Y361 PolarHBondContact O-OH 3.33Å; H357-L378 HydrophobicContact CB-CD2 3.61Å; H357-L378 WeakPolarHBondContact O-CD2 3.31Å |
| 358 | E | 85 | Confident | 79.5 | Confident | 93 Ų | 93 | 31.2 Ų | 31.2 | 44% | 0.435 | 18% | 0.175 | S | C | . | . | trans | -60.3 | 131.6 | 177.9 | -163.6 | 167.5 | -148.7 | 0 | 0 | 110.3 | D355 L378 L380 | D355-E358 WeakPolarHBondContact O-CB 3.49Å; D355-E358 PolarHBondContact O-N 3.26Å; E358-L378 VanDerWaalsContact CG-O 3.28Å; E358-L378 WeakPolarHBondContact CG-O 3.21Å; E358-L380 PolarHBondContact OE1-N 3.38Å | ||
| 359 | G | 86.2 | Confident | 79 | Confident | 22 Ų | 22 | 36.8 Ų | 36.8 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.9 | -169.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H357 I377 L378 | H357-G359 PolarHBondContact O-N 3.47Å; G359-I377 WeakPolarHBondContact O-CA 3.21Å; G359-L378 PolarHBondContact N-O 2.76Å; G359-L378 PolarHBondContact O-N 2.82Å |
| 360 | S | 86.8 | Confident | 78.7 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.2 | -176.7 | 169.8 | 0 | 0 | 0 | 0 | 112.2 | R227 P332 E375 | R227-S360 PolarHBondContact NH1-OG 2.8Å; R227-S360 PolarHBondContact NH2-OG 3.35Å; P332-S360 WeakPolarHBondContact CD-O 3.34Å; S360-E375 WeakPolarHBondContact CB-OE1 3.15Å; S360-E375 VanDerWaalsContact OG-CD 3.27Å; S360-E375 VanDerWaalsContact OG-CG 3.25Å; S360-E375 WeakPolarHBondContact OG-CG 3.26Å; S360-E375 PolarHBondContact OG-OE1 3.15Å |
| 361 | Y | 87.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.4 | 173.5 | -69.9 | -104 | 0 | 0 | 0 | 108.5 | F315 I330 L331 P332 A335 I339 L348 I350 H357 E375 G376 L378 | F315-Y361 HydrophobicContact CD2-CD1 4.09Å; F315-Y361 HydrophobicContact CD2-CD2 4.29Å; F315-Y361 AromaticContact CD2-CG 3.92Å; F315-Y361 HydrophobicContact CD2-CG 3.92Å; F315-Y361 AromaticContact CE2-CD1 3.97Å; F315-Y361 HydrophobicContact CE2-CD1 3.97Å; F315-Y361 AromaticContact CE2-CD2 3.43Å; F315-Y361 HydrophobicContact CE2-CD2 3.43Å; F315-Y361 VanDerWaalsContact CE2-CD2 3.43Å; F315-Y361 HydrophobicContact CE2-CE1 4.33Å; F315-Y361 AromaticContact CE2-CE2 3.85Å; F315-Y361 HydrophobicContact CE2-CE2 3.85Å; F315-Y361 AromaticContact CE2-CG 3.52Å; F315-Y361 HydrophobicContact CE2-CG 3.52Å; F315-Y361 AromaticContact CZ-CD2 3.59Å; F315-Y361 HydrophobicContact CZ-CD2 3.59Å; F315-Y361 HydrophobicContact CZ-CE2 4.26Å; F315-Y361 AromaticContact CZ-CG 3.91Å; F315-Y361 HydrophobicContact CZ-CG 3.91Å; I330-Y361 WeakPolarHBondContact O-CA 3.1Å; L331-Y361 HydrophobicContact CD2-CD1 3.44Å; L331-Y361 VanDerWaalsContact CD2-CD1 3.44Å; L331-Y361 HydrophobicContact CD2-CE1 3.66Å; P332-Y361 HydrophobicContact CG-CE2 4.11Å; A335-Y361 WeakPolarHBondContact CB-OH 3.38Å; I339-Y361 HydrophobicContact CD1-CE1 4.16Å; L348-Y361 HydrophobicContact CD1-CD1 4.07Å; L348-Y361 HydrophobicContact CD1-CE1 4.34Å; L348-Y361 HydrophobicContact CD2-CD1 3.91Å; L348-Y361 HydrophobicContact CD2-CE1 3.81Å; I350-Y361 HydrophobicContact CD1-CE1 4.18Å; I350-Y361 HydrophobicContact CD1-CE2 4.48Å; I350-Y361 WeakPolarHBondContact CD1-OH 3.29Å; H357-Y361 VanDerWaalsContact O-CE2 3.25Å; H357-Y361 WeakPolarHBondContact O-CE2 3.26Å; H357-Y361 PolarHBondContact O-OH 3.33Å; Y361-E375 CarbonylContact O-C 3.28Å; Y361-E375 WeakPolarHBondContact O-CA 3.25Å; Y361-G376 PolarHBondContact N-O 3.45Å; Y361-G376 PolarHBondContact O-N 3.16Å; Y361-L378 HydrophobicContact CD2-CB 4.13Å; Y361-L378 HydrophobicContact CE2-CB 3.7Å; Y361-L378 HydrophobicContact CE2-CD2 4.25Å |
| 362 | T | 85.8 | Confident | 79.4 | Confident | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123 | 177.1 | -31.8 | 0 | 0 | 0 | 0 | 109.9 | R227 W329 I330 V364 S374 | R227-T362 PolarHBondContact NE-OG1 3.4Å; R227-T362 VanDerWaalsContact NE-OG1 3.17Å; R227-T362 PolarHBondContact NH2-OG1 3.33Å; W329-T362 CarbonylContact C-O 3.54Å; W329-T362 WeakPolarHBondContact CA-O 3.24Å; I330-T362 PolarHBondContact N-O 3.32Å; I330-T362 PolarHBondContact O-N 3.34Å; T362-V364 HydrophobicContact CG2-CG2 4.41Å; T362-S374 CarbonylContact C-O 3.58Å; T362-S374 WeakPolarHBondContact CA-O 3.12Å |
| 363 | C | 86.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.7 | 160.6 | -179.9 | 0 | 0 | 0 | 0 | 109.9 | L302 C317 W329 T373 S374 | L302-C363 HydrophobicContact CD1-CB 3.59Å; L302-C363 HydrophobicContact CD2-CB 4.2Å; C317-C363 HydrophobicContact CB-CB 3.49Å; C317-C363 VanDerWaalsContact CB-CB 3.49Å; C317-C363 WeakPolarHBondContact CB-SG 3.19Å; C317-C363 WeakPolarHBondContact SG-CB 3.48Å; C317-C363 CovalentContact SG-SG 2Å; C317-C363 PolarHBondContact SG-SG 2.89Å; W329-C363 HydrophobicContact CE3-CB 4.47Å; W329-C363 HydrophobicContact CH2-CB 4.16Å; W329-C363 HydrophobicContact CZ2-CB 4.34Å; W329-C363 HydrophobicContact CZ3-CB 4.27Å; C363-T373 CarbonylContact O-C 3.6Å; C363-T373 WeakPolarHBondContact O-CA 3.15Å; C363-S374 PolarHBondContact N-O 3.48Å; C363-S374 PolarHBondContact O-N 3.32Å |
| 364 | V | 83.1 | Confident | 80.8 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 113.4 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | L231 I327 T328 I330 T362 V371 T373 | L231-V364 HydrophobicContact CD2-CG2 4.32Å; I327-V364 WeakPolarHBondContact CA-O 3.49Å; T328-V364 PolarHBondContact N-O 3.43Å; T328-V364 PolarHBondContact O-N 2.93Å; I330-V364 HydrophobicContact CD1-CG2 3.8Å; I330-V364 HydrophobicContact CG1-CG2 4.07Å; T362-V364 HydrophobicContact CG2-CG2 4.41Å; V364-V371 HydrophobicContact CG1-CG1 3.4Å; V364-V371 VanDerWaalsContact CG1-CG1 3.4Å; V364-T373 HydrophobicContact CB-CG2 4.26Å; V364-T373 HydrophobicContact CG1-CG2 4.08Å; V364-T373 HydrophobicContact CG2-CG2 3.89Å |
| 365 | L | 80 | Confident | 81.3 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 121.8 | 169.7 | -78.5 | 133.6 | 0 | 0 | 0 | 109 | P296 I298 Q326 I327 V371 T372 | P296-L365 HydrophobicContact CB-CB 4.03Å; P296-L365 HydrophobicContact CG-CB 3.73Å; P296-L365 WeakPolarHBondContact CG-O 3.4Å; I298-L365 HydrophobicContact CD1-CD1 3.95Å; I298-L365 HydrophobicContact CG1-CD1 3.43Å; I298-L365 VanDerWaalsContact CG1-CD1 3.43Å; Q326-L365 CarbonylContact O-C 3.58Å; Q326-L365 VanDerWaalsContact O-CA 3.28Å; Q326-L365 WeakPolarHBondContact O-CA 3.32Å; I327-L365 HydrophobicContact CD1-CD2 4.21Å; I327-L365 HydrophobicContact CG1-CD2 3.64Å; I327-L365 HydrophobicContact CG1-CG 4.07Å; L365-V371 CarbonylContact O-C 3.46Å; L365-V371 WeakPolarHBondContact O-CA 3.12Å; L365-T372 PolarHBondContact N-O 3.34Å; L365-T372 PolarHBondContact O-N 3.48Å |
| 366 | S | 75.4 | Confident | 81.5 | Confident | 28 Ų | 28 | 38.3 Ų | 38.3 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 138.6 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | S325 Q326 | S325-S366 CarbonylContact C-O 3.6Å; S325-S366 VanDerWaalsContact CA-O 3.22Å; S325-S366 WeakPolarHBondContact CA-O 3.4Å; Q326-S366 PolarHBondContact N-O 3.4Å; Q326-S366 PolarHBondContact O-N 3.02Å |
| 367 | N | 71.7 | Confident | 81.7 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.128 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | -175.5 | 165.9 | 71.4 | 14.7 | 0 | 0 | 0 | 109.2 | K294 P296 S321 V323 P324 Y369 G370 | K294-N367 PolarHBondContact O-ND2 3.16Å; P296-N367 WeakPolarHBondContact CD-ND2 3.43Å; S321-N367 PolarHBondContact OG-ND2 2.89Å; V323-N367 HydrophobicContact CG2-CB 4.06Å; V323-N367 VanDerWaalsContact CG2-ND2 3.32Å; V323-N367 WeakPolarHBondContact CG2-ND2 3.32Å; P324-N367 WeakPolarHBondContact O-CB 3.43Å; N367-Y369 PolarHBondContact O-N 3.33Å; N367-Y369 WeakPolarHBondContact OD1-CA 3.36Å; N367-Y369 PolarHBondContact OD1-N 3.46Å; N367-G370 PolarHBondContact N-O 3.49Å; N367-G370 PolarHBondContact O-N 2.91Å; N367-G370 PolarHBondContact OD1-N 2.82Å; N367-G370 PolarHBondContact OD1-O 3.11Å |
| 368 | S | 69.5 | Low | 81.9 | Confident | 104 Ų | 104 | 39.3 Ų | 39.3 | 73% | 0.727 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12.4 | 179 | 48.8 | 0 | 0 | 0 | 0 | 115 | ||
| 369 | Y | 73.2 | Confident | 81.9 | Confident | 116 Ų | 116 | 39.3 Ų | 39.3 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -5.6 | -175.4 | -58.4 | -82.9 | 0 | 0 | 0 | 113.7 | N293 V323 N367 | N293-Y369 HydrophobicContact CB-CD1 4.16Å; N293-Y369 HydrophobicContact CB-CE1 3.81Å; N293-Y369 PolarHBondContact OD1-OH 3.11Å; N293-Y369 VanDerWaalsContact OD1-OH 3.07Å; V323-Y369 HydrophobicContact CG1-CE2 4.09Å; V323-Y369 HydrophobicContact CG2-CD2 3.8Å; V323-Y369 HydrophobicContact CG2-CE2 3.95Å; N367-Y369 PolarHBondContact O-N 3.33Å; N367-Y369 WeakPolarHBondContact OD1-CA 3.36Å; N367-Y369 PolarHBondContact OD1-N 3.46Å |
| 370 | G | 71.6 | Confident | 81.5 | Confident | 24 Ų | 24 | 40 Ų | 40 | 25% | 0.247 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.5 | -178.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P296 N367 | P296-G370 WeakPolarHBondContact CD-O 3.4Å; N367-G370 PolarHBondContact N-O 3.49Å; N367-G370 PolarHBondContact O-N 2.91Å; N367-G370 PolarHBondContact OD1-N 2.82Å; N367-G370 PolarHBondContact OD1-O 3.11Å |
| 371 | V | 75.6 | Confident | 81 | Confident | 83 Ų | 83 | 42 Ų | 42 | 50% | 0.503 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 136.1 | -178.1 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | V364 L365 T373 | V364-V371 HydrophobicContact CG1-CG1 3.4Å; V364-V371 VanDerWaalsContact CG1-CG1 3.4Å; L365-V371 CarbonylContact O-C 3.46Å; L365-V371 WeakPolarHBondContact O-CA 3.12Å; V371-T373 HydrophobicContact CG1-CG2 4.36Å |
| 372 | T | 80.6 | Confident | 80.2 | Confident | 44 Ų | 44 | 50 Ų | 50 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 139.7 | 174.1 | -57 | 0 | 0 | 0 | 0 | 108.9 | P296 I298 L365 | P296-T372 WeakPolarHBondContact O-CB 3.33Å; P296-T372 PolarHBondContact O-OG1 3.07Å; I298-T372 HydrophobicContact CB-CG2 4.48Å; I298-T372 HydrophobicContact CD1-CG2 3.73Å; I298-T372 HydrophobicContact CG1-CG2 3.71Å; L365-T372 PolarHBondContact N-O 3.34Å; L365-T372 PolarHBondContact O-N 3.48Å |
| 373 | T | 85.3 | Confident | 79.7 | Confident | 66 Ų | 66 | 52.1 Ų | 52.1 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.6 | -176.5 | 61.4 | 0 | 0 | 0 | 0 | 111.9 | L231 I298 C363 V364 V371 | L231-T373 HydrophobicContact CD2-CG2 4.07Å; I298-T373 WeakPolarHBondContact CD1-O 3.31Å; C363-T373 CarbonylContact O-C 3.6Å; C363-T373 WeakPolarHBondContact O-CA 3.15Å; V364-T373 HydrophobicContact CB-CG2 4.26Å; V364-T373 HydrophobicContact CG1-CG2 4.08Å; V364-T373 HydrophobicContact CG2-CG2 3.89Å; V371-T373 HydrophobicContact CG1-CG2 4.36Å |
| 374 | S | 86.6 | Confident | 79.4 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 140.9 | 168.7 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | Q301 L302 T362 C363 | Q301-S374 WeakPolarHBondContact CA-OG 3.39Å; Q301-S374 PolarHBondContact OE1-OG 3.26Å; L302-S374 PolarHBondContact N-OG 3.42Å; T362-S374 CarbonylContact C-O 3.58Å; T362-S374 WeakPolarHBondContact CA-O 3.12Å; C363-S374 PolarHBondContact N-O 3.48Å; C363-S374 PolarHBondContact O-N 3.32Å |
| 375 | E | 88.1 | Confident | 79.1 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.9 | -169.9 | 176 | 173 | -145.4 | 0 | 0 | 109.9 | R227 S360 Y361 | R227-E375 IonicContact CZ-OE1 3.43Å; R227-E375 VanDerWaalsContact CZ-OE1 3.24Å; R227-E375 IonicContact NH1-OE1 3.85Å; R227-E375 PolarHBondContact NH1-OE1 3.16Å; R227-E375 IonicContact NH2-OE1 2.8Å; R227-E375 PolarHBondContact NH2-OE1 3.06Å; R227-E375 IonicContact NH2-OE2 3.87Å; S360-E375 WeakPolarHBondContact CB-OE1 3.15Å; S360-E375 VanDerWaalsContact OG-CD 3.27Å; S360-E375 VanDerWaalsContact OG-CG 3.25Å; S360-E375 WeakPolarHBondContact OG-CG 3.26Å; S360-E375 PolarHBondContact OG-OE1 3.15Å; Y361-E375 CarbonylContact O-C 3.28Å; Y361-E375 WeakPolarHBondContact O-CA 3.25Å |
| 376 | G | 86.2 | Confident | 79.4 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 140.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y361 | Y361-G376 PolarHBondContact N-O 3.45Å; Y361-G376 PolarHBondContact O-N 3.16Å |
| 377 | I | 87.3 | Confident | 79.9 | Confident | 79 Ų | 79 | 64.4 Ų | 64.4 | 41% | 0.405 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 128.4 | 179.7 | -58.9 | 171.3 | 0 | 0 | 0 | 109.2 | N304 V305 G359 | N304-I377 CarbonylContact C-O 3.57Å; N304-I377 WeakPolarHBondContact CA-O 3.08Å; N304-I377 WeakPolarHBondContact OD1-CB 3.27Å; N304-I377 PolarHBondContact OD1-N 3.47Å; V305-I377 PolarHBondContact N-O 2.87Å; G359-I377 WeakPolarHBondContact O-CA 3.21Å |
| 378 | L | 87.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 126.6 | 165.3 | -171 | 69.2 | 0 | 0 | 0 | 108.4 | V305 V307 A313 F315 I350 H357 E358 G359 Y361 | V305-L378 HydrophobicContact CB-CD1 3.75Å; V305-L378 HydrophobicContact CG1-CD1 3.58Å; V305-L378 CarbonylContact O-C 3.58Å; V305-L378 WeakPolarHBondContact O-CA 3.5Å; V307-L378 HydrophobicContact CB-CD1 4.48Å; V307-L378 HydrophobicContact CG1-CD1 3.69Å; V307-L378 HydrophobicContact CG1-CG 4.27Å; A313-L378 HydrophobicContact CB-CD1 3.57Å; F315-L378 HydrophobicContact CE2-CB 4.16Å; F315-L378 HydrophobicContact CE2-CD1 4.28Å; F315-L378 HydrophobicContact CZ-CB 3.86Å; F315-L378 HydrophobicContact CZ-CD1 4.3Å; I350-L378 HydrophobicContact CD1-CD2 3.53Å; H357-L378 HydrophobicContact CB-CD2 3.61Å; H357-L378 WeakPolarHBondContact O-CD2 3.31Å; E358-L378 VanDerWaalsContact CG-O 3.28Å; E358-L378 WeakPolarHBondContact CG-O 3.21Å; G359-L378 PolarHBondContact N-O 2.76Å; G359-L378 PolarHBondContact O-N 2.82Å; Y361-L378 HydrophobicContact CD2-CB 4.13Å; Y361-L378 HydrophobicContact CE2-CB 3.7Å; Y361-L378 HydrophobicContact CE2-CD2 4.25Å |
| 379 | Q | 84.7 | Confident | 81.7 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.4 | 173.6 | -173.5 | -179.9 | 13.2 | 0 | 0 | 110 | V305 K306 V307 | V305-Q379 PolarHBondContact O-N 2.81Å; K306-Q379 VanDerWaalsContact CA-O 3.3Å; K306-Q379 WeakPolarHBondContact CA-O 3.25Å; K306-Q379 HydrophobicContact CG-CB 4.38Å; V307-Q379 PolarHBondContact N-O 3.39Å |
| 380 | L | 78.7 | Confident | 82.4 | Confident | 36 Ų | 36 | 62.9 Ų | 62.9 | 19% | 0.188 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 131.5 | 174.2 | -66.4 | 177.9 | 0 | 0 | 0 | 111.5 | V307 A309 A353 D355 E358 | V307-L380 HydrophobicContact CG1-CD2 3.66Å; V307-L380 CarbonylContact O-C 3.44Å; V307-L380 VanDerWaalsContact O-CA 3.22Å; V307-L380 WeakPolarHBondContact O-CA 3.41Å; A309-L380 HydrophobicContact CB-CD1 4.29Å; A309-L380 HydrophobicContact CB-CD2 4.34Å; A353-L380 HydrophobicContact CB-CD2 4.15Å; D355-L380 VanDerWaalsContact CA-CD1 3.45Å; D355-L380 HydrophobicContact CB-CD1 4.26Å; E358-L380 PolarHBondContact OE1-N 3.38Å |
| 381 | I | 77 | Confident | 83 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 32% | 0.323 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 147.4 | 175.4 | -37.3 | 176.9 | 0 | 0 | 0 | 110.4 | K306 V307 V308 | K306-I381 HydrophobicContact CB-CD1 3.36Å; K306-I381 HydrophobicContact CB-CG1 3.58Å; K306-I381 HydrophobicContact CD-CD1 4.14Å; K306-I381 HydrophobicContact CD-CG1 4.39Å; K306-I381 HydrophobicContact CG-CD1 4.39Å; K306-I381 HydrophobicContact CG-CG1 4.49Å; V307-I381 PolarHBondContact O-N 3.44Å; V308-I381 WeakPolarHBondContact CG1-O 3.17Å; V308-I381 HydrophobicContact CG2-CB 4.48Å |
| 382 | Q | 70.4 | Confident | 83.1 | Confident | 166 Ų | 166 | 60 Ų | 60 | 78% | 0.776 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -67.2 | 132.8 | 168 | -66.8 | -146.2 | 7.2 | 0 | 0 | 111.9 | ||
| 383 | P | 75.3 | Confident | 82.9 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 32% | 0.318 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 153.8 | 177.1 | 27.9 | -30.4 | 0 | 0 | 0 | 112.5 | V308 L414 L502 | V308-P383 HydrophobicContact CG1-CB 3.53Å; V308-P383 HydrophobicContact CG1-CG 3.85Å; P383-L414 CarbonylContact C-O 3.56Å; P383-L414 WeakPolarHBondContact CA-O 3.34Å; P383-L414 WeakPolarHBondContact CB-O 3.21Å; P383-L502 HydrophobicContact CB-CD1 3.28Å; P383-L502 HydrophobicContact CB-CD2 4.1Å; P383-L502 HydrophobicContact CB-CG 3.7Å; P383-L502 HydrophobicContact CG-CD1 3.74Å; P383-L502 HydrophobicContact CG-CD2 3.83Å; P383-L502 HydrophobicContact CG-CG 4.02Å; P383-L502 WeakPolarHBondContact O-CD1 3.5Å |
| 384 | T | 80.4 | Confident | 82.3 | Confident | 67 Ų | 67 | 60.9 Ų | 60.9 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.6 | 174.3 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | L414 N500 L502 | T384-L414 PolarHBondContact N-O 3.09Å; T384-L414 CarbonylContact O-C 3.52Å; T384-L414 PolarHBondContact O-N 3.39Å; T384-L414 WeakPolarHBondContact OG1-CB 3.36Å; T384-L414 PolarHBondContact OG1-N 3.32Å; T384-N500 PolarHBondContact O-ND2 3.11Å; T384-L502 VanDerWaalsContact N-CD1 3.29Å |
| 385 | K | 76.6 | Confident | 81.4 | Confident | 143 Ų | 143 | 66 Ų | 66 | 62% | 0.622 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 152.8 | 178.7 | -71.4 | -178 | 178.9 | -175.4 | 0 | 111.4 | L502 | K385-L502 VanDerWaalsContact CE-O 3.32Å; K385-L502 WeakPolarHBondContact CE-O 3.3Å; K385-L502 HydrophobicContact CG-CB 3.77Å; K385-L502 HydrophobicContact CG-CD1 4.35Å |
| 386 | P | 85.2 | Confident | 80.4 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 140.1 | 177.2 | -16.5 | 32.4 | 0 | 0 | 0 | 111.7 | K412 P417 V498 N500 G503 | P386-K412 CarbonylContact C-O 3.49Å; P386-K412 VanDerWaalsContact CA-O 3.25Å; P386-K412 WeakPolarHBondContact CA-O 3.46Å; P386-P417 HydrophobicContact CB-CB 3.79Å; P386-P417 HydrophobicContact CB-CG 4.3Å; P386-P417 HydrophobicContact CG-CB 3.99Å; P386-V498 HydrophobicContact CB-CG1 3.78Å; P386-N500 VanDerWaalsContact CD-OD1 3.25Å; P386-N500 WeakPolarHBondContact CD-OD1 3.37Å; P386-N500 HydrophobicContact CG-CB 3.9Å; P386-N500 VanDerWaalsContact CG-CG 3.44Å; P386-N500 VanDerWaalsContact CG-N 3.28Å; P386-N500 WeakPolarHBondContact CG-OD1 3.46Å; P386-G503 WeakPolarHBondContact CD-O 3.45Å; P386-G503 WeakPolarHBondContact CG-O 3.43Å |
| 387 | T | 87.4 | Confident | 79.9 | Confident | 86 Ų | 86 | 68.9 Ų | 68.9 | 53% | 0.528 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 121.1 | 176.7 | -49.8 | 0 | 0 | 0 | 0 | 108.4 | I389 A411 K412 | T387-I389 PolarHBondContact O-N 3.3Å; T387-A411 CarbonylContact O-C 3.56Å; T387-A411 VanDerWaalsContact O-CA 3.23Å; T387-A411 WeakPolarHBondContact O-CA 3.35Å; T387-A411 WeakPolarHBondContact O-CB 3.43Å; T387-K412 PolarHBondContact N-O 2.92Å; T387-K412 PolarHBondContact O-N 3.45Å |
| 388 | I | 88.7 | Confident | 79.6 | Confident | 34 Ų | 34 | 68.6 Ų | 68.6 | 17% | 0.174 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 123.2 | 176.9 | -64.9 | 166.5 | 0 | 0 | 0 | 108.6 | E390 A391 A411 V498 A505 R506 V507 | I388-E390 WeakPolarHBondContact CG2-O 3.2Å; I388-A391 HydrophobicContact CG2-CB 3.92Å; I388-A411 HydrophobicContact CB-CB 4.46Å; I388-A411 HydrophobicContact CG1-CB 4.02Å; I388-V498 HydrophobicContact CD1-CB 4.35Å; I388-V498 HydrophobicContact CD1-CG2 3.79Å; I388-V498 HydrophobicContact CG1-CB 4.1Å; I388-V498 HydrophobicContact CG1-CG2 3.59Å; I388-A505 HydrophobicContact CD1-CB 3.92Å; I388-A505 HydrophobicContact CG1-CB 3.95Å; I388-R506 VanDerWaalsContact CD1-C 3.48Å; I388-V507 HydrophobicContact CB-CG2 4.28Å; I388-V507 HydrophobicContact CD1-CB 4.23Å; I388-V507 HydrophobicContact CD1-CG2 3.72Å; I388-V507 HydrophobicContact CG2-CG2 3.94Å |
| 389 | I | 89.7 | Confident | 79.5 | Confident | 90 Ų | 90 | 69.2 Ų | 69.2 | 46% | 0.462 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -22.7 | -179.3 | 57.9 | 170.9 | 0 | 0 | 0 | 112.7 | T387 T410 K412 E475 | T387-I389 PolarHBondContact O-N 3.3Å; I389-T410 HydrophobicContact CD1-CG2 3.7Å; I389-T410 HydrophobicContact CG1-CG2 3.73Å; I389-T410 WeakPolarHBondContact CG1-O 3.36Å; I389-T410 PolarHBondContact N-O 3.18Å; I389-K412 HydrophobicContact CG2-CB 4.19Å; I389-E475 HydrophobicContact CD1-CG 3.8Å |
| 390 | E | 88.6 | Confident | 79.4 | Confident | 89 Ų | 89 | 67.3 Ų | 67.3 | 42% | 0.416 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 137.1 | 173.8 | -169.4 | -172 | 172.7 | 0 | 0 | 108.7 | I388 C409 T410 | I388-E390 WeakPolarHBondContact CG2-O 3.2Å; E390-C409 CarbonylContact O-C 3.44Å; E390-C409 VanDerWaalsContact O-CA 3.3Å; E390-C409 WeakPolarHBondContact O-CA 3.5Å; E390-T410 PolarHBondContact N-O 3.46Å; E390-T410 PolarHBondContact O-N 3.11Å; E390-T410 PolarHBondContact OE2-OG1 3.4Å |
| 391 | A | 83.2 | Confident | 79.6 | Confident | 33 Ų | 33 | 68.6 Ų | 68.6 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | trans | -152.7 | 160.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | I388 R408 V507 | I388-A391 HydrophobicContact CG2-CB 3.92Å; A391-R408 CarbonylContact C-O 3.45Å; A391-R408 WeakPolarHBondContact CA-O 3.45Å; A391-V507 HydrophobicContact CB-CB 3.72Å; A391-V507 HydrophobicContact CB-CG1 3.49Å; A391-V507 VanDerWaalsContact CB-CG1 3.49Å; A391-V507 HydrophobicContact CB-CG2 3.98Å | ||
| 392 | P | 77.3 | Confident | 79.8 | Confident | 13 Ų | 13 | 71.3 Ų | 71.3 | 8% | 0.084 | 40% | 0.398 | C | S | . | . | trans | -64.4 | 144.7 | 176.6 | -11.5 | 28.4 | 0 | 0 | 0 | 109.5 | L407 R408 W421 T509 | P392-L407 HydrophobicContact CB-CD2 3.81Å; P392-L407 HydrophobicContact CG-CB 3.77Å; P392-L407 HydrophobicContact CG-CD2 3.94Å; P392-L407 HydrophobicContact CG-CG 4.34Å; P392-R408 WeakPolarHBondContact CD-O 3.1Å; P392-R408 WeakPolarHBondContact CG-O 3.42Å; P392-W421 HydrophobicContact CG-CH2 3.87Å; P392-W421 HydrophobicContact CG-CZ3 4.24Å; P392-T509 HydrophobicContact CB-CG2 3.88Å; P392-T509 HydrophobicContact CG-CG2 3.93Å | ||
| 393 | P | 77 | Confident | 80.5 | Confident | 74 Ų | 74 | 65.3 Ų | 65.3 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | trans | -52.9 | 144.9 | 174.6 | -23.4 | 32.6 | 0 | 0 | 0 | 111 | D395 D396 N397 T509 | P393-D395 VanDerWaalsContact C-N 3.34Å; P393-D395 PolarHBondContact O-N 3.01Å; P393-D396 HydrophobicContact CB-CB 4.02Å; P393-N397 PolarHBondContact O-ND2 2.99Å; P393-T509 WeakPolarHBondContact O-CB 3.2Å; P393-T509 PolarHBondContact O-OG1 3.09Å | ||
| 394 | A | 72.4 | Confident | 80.9 | Confident | 54 Ų | 54 | 67.1 Ų | 67.1 | 45% | 0.446 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -61.1 | -40.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | V510 | A394-V510 WeakPolarHBondContact O-CG2 3.34Å; A394-V510 PolarHBondContact O-N 3.02Å |
| 395 | D | 68.3 | Low | 81.2 | Confident | 115 Ų | 115 | 64.5 Ų | 64.5 | 62% | 0.615 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -126.7 | 7 | -167 | -60.9 | -41.9 | 0 | 0 | 0 | 115.2 | P393 | P393-D395 VanDerWaalsContact C-N 3.34Å; P393-D395 PolarHBondContact O-N 3.01Å |
| 396 | D | 66.4 | Low | 81.7 | Confident | 123 Ų | 123 | 61.3 Ų | 61.3 | 66% | 0.658 | 36% | 0.357 | S | S | * | . | trans | -123.3 | 49.9 | -168.5 | -163.8 | 22.5 | 0 | 0 | 0 | 113.4 | P393 | P393-D396 HydrophobicContact CB-CB 4.02Š| ||
| 397 | N | 75.6 | Confident | 81.9 | Confident | 29 Ų | 29 | 60.9 Ų | 60.9 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | trans | -122 | 77 | 175.5 | -52.6 | -81.5 | 0 | 0 | 0 | 110 | P393 T509 V510 I511 R512 | P393-N397 PolarHBondContact O-ND2 2.99Å; N397-T509 PolarHBondContact ND2-OG1 2.99Å; N397-V510 PolarHBondContact ND2-O 2.77Å; N397-I511 HydrophobicContact CB-CB 4.4Å; N397-I511 HydrophobicContact CB-CG2 4.05Å; N397-I511 CarbonylContact O-C 3.51Å; N397-I511 VanDerWaalsContact O-CA 3.26Å; N397-I511 WeakPolarHBondContact O-CA 3.34Å; N397-R512 PolarHBondContact O-N 3Å | ||
| 398 | S | 81.8 | Confident | 82.1 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 52% | 0.517 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 130.8 | 172.9 | 58.4 | 0 | 0 | 0 | 0 | 111.3 | R512 | S398-R512 CarbonylContact C-O 3.4Å; S398-R512 VanDerWaalsContact CA-O 3.26Å; S398-R512 WeakPolarHBondContact CA-O 3.24Å |
| 399 | V | 84.2 | Confident | 82.2 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 138.5 | -178 | 61.9 | 0 | 0 | 0 | 0 | 110 | S403 M405 V485 I511 R512 V513 L514 | V399-S403 WeakPolarHBondContact CG2-OG 3.44Å; V399-M405 HydrophobicContact CG1-SD 4.43Å; V399-M405 HydrophobicContact CG2-CB 4.14Å; V399-V485 HydrophobicContact CG1-CB 4.29Å; V399-V485 HydrophobicContact CG1-CG1 3.74Å; V399-V485 HydrophobicContact CG1-CG2 4.35Å; V399-V485 HydrophobicContact CG2-CB 4.47Å; V399-V485 HydrophobicContact CG2-CG2 4.16Å; V399-I511 HydrophobicContact CG1-CD1 4.31Å; V399-R512 PolarHBondContact N-O 2.77Å; V399-V513 HydrophobicContact CG1-CG2 4.2Å; V399-V513 CarbonylContact O-C 3.58Å; V399-V513 VanDerWaalsContact O-CA 3.29Å; V399-V513 WeakPolarHBondContact O-CA 3.47Å; V399-L514 PolarHBondContact O-N 2.6Å |
| 400 | A | 82.6 | Confident | 82.3 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 141.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | H402 S403 | A400-H402 PolarHBondContact O-N 3.1Å; A400-S403 PolarHBondContact N-OG 3.27Å; A400-S403 WeakPolarHBondContact O-CB 3.48Å; A400-S403 PolarHBondContact O-N 3.07Å; A400-S403 PolarHBondContact O-OG 2.95Å |
| 401 | E | 83.2 | Confident | 82.2 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 138.1 | 174.1 | -161.3 | 164.3 | -167.4 | 0 | 0 | 110.3 | S403 V513 L514 S515 | E401-S403 VanDerWaalsContact C-N 3.25Å; E401-S403 PolarHBondContact O-N 3.07Å; E401-V513 HydrophobicContact CB-CG1 3.63Å; E401-V513 HydrophobicContact CG-CG1 3.93Å; E401-L514 PolarHBondContact N-O 2.77Å; E401-S515 PolarHBondContact OE2-OG 2.86Å |
| 402 | H | 82.4 | Confident | 82.5 | Confident | 121 Ų | 121 | 54.9 Ų | 54.9 | 56% | 0.56 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 0.4 | -173.7 | -50.7 | -62.1 | 0 | 0 | 0 | 117.6 | A400 N484 V485 | A400-H402 PolarHBondContact O-N 3.1Å; H402-N484 WeakPolarHBondContact CA-OD1 3.15Å; H402-N484 WeakPolarHBondContact CB-OD1 3.3Å; H402-N484 PolarHBondContact ND1-OD1 3.48Å; H402-V485 PolarHBondContact N-O 3.43Å |
| 403 | S | 85.1 | Confident | 82.6 | Confident | 40 Ų | 40 | 54.3 Ų | 54.3 | 28% | 0.28 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -82.5 | -176.6 | 175.4 | 72.4 | 0 | 0 | 0 | 0 | 113 | V399 A400 E401 N484 V485 | V399-S403 WeakPolarHBondContact CG2-OG 3.44Å; A400-S403 PolarHBondContact N-OG 3.27Å; A400-S403 WeakPolarHBondContact O-CB 3.48Å; A400-S403 PolarHBondContact O-N 3.07Å; A400-S403 PolarHBondContact O-OG 2.95Å; E401-S403 VanDerWaalsContact C-N 3.25Å; E401-S403 PolarHBondContact O-N 3.07Å; S403-N484 PolarHBondContact O-N 2.83Å; S403-N484 VanDerWaalsContact O-N 3.14Å; S403-V485 PolarHBondContact O-N 3.37Å |
| 404 | V | 82.3 | Confident | 82.4 | Confident | 86 Ų | 86 | 52.1 Ų | 52.1 | 52% | 0.521 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.6 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | L481 V482 R483 | V404-L481 HydrophobicContact CG1-CD2 3.91Å; V404-V482 CarbonylContact C-O 3.52Å; V404-V482 VanDerWaalsContact CA-O 3.3Å; V404-V482 WeakPolarHBondContact CA-O 3.08Å; V404-R483 HydrophobicContact CG1-CG 4.29Å; V404-R483 HydrophobicContact CG2-CG 4.34Å |
| 405 | M | 86.6 | Confident | 82.3 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 141.3 | 177.1 | -177.8 | -179.7 | 65.8 | 0 | 0 | 110.9 | V399 L407 L481 V482 V485 Y494 I511 | V399-M405 HydrophobicContact CG1-SD 4.43Å; V399-M405 HydrophobicContact CG2-CB 4.14Å; M405-L407 HydrophobicContact CE-CD1 3.78Å; M405-L407 HydrophobicContact CE-CD2 4.45Å; M405-L407 HydrophobicContact CE-CG 3.95Å; M405-L407 HydrophobicContact CG-CD2 4.35Å; M405-L407 HydrophobicContact CG-CG 4.39Å; M405-L407 HydrophobicContact SD-CD1 4.45Å; M405-L407 HydrophobicContact SD-CD2 4.11Å; M405-L407 HydrophobicContact SD-CG 4.24Å; M405-L481 CarbonylContact O-C 3.52Å; M405-L481 VanDerWaalsContact O-CA 3.22Å; M405-L481 WeakPolarHBondContact O-CA 3.43Å; M405-V482 HydrophobicContact CB-CB 4.35Å; M405-V482 HydrophobicContact CE-CB 3.93Å; M405-V482 HydrophobicContact CE-CG2 3.4Å; M405-V482 PolarHBondContact N-O 3.42Å; M405-V482 PolarHBondContact O-N 3.32Å; M405-V485 HydrophobicContact CB-CG2 3.93Å; M405-Y494 HydrophobicContact CE-CD2 4.46Å; M405-Y494 HydrophobicContact CE-CE1 4.4Å; M405-Y494 HydrophobicContact CE-CE2 3.96Å; M405-I511 HydrophobicContact CE-CD1 3.89Å; M405-I511 HydrophobicContact CE-CG2 3.8Å; M405-I511 HydrophobicContact SD-CB 3.93Å; M405-I511 HydrophobicContact SD-CD1 3.87Å; M405-I511 HydrophobicContact SD-CG2 3.32Å; M405-I511 WeakPolarHBondContact SD-CG2 3.29Å |
| 406 | D | 88.1 | Confident | 82.5 | Confident | 75 Ų | 75 | 48.5 Ų | 48.5 | 40% | 0.401 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 129.4 | 167 | 72.9 | -50.2 | 0 | 0 | 0 | 112.7 | R408 V479 L480 L481 | D406-R408 IonicContact OD2-CZ 3.65Å; D406-R408 IonicContact OD2-NE 3.96Å; D406-R408 PolarHBondContact OD2-NE 3.22Å; D406-R408 IonicContact OD2-NH2 3.62Å; D406-R408 PolarHBondContact OD2-NH2 3.33Å; D406-V479 HydrophobicContact CB-CG1 4.03Å; D406-L480 CarbonylContact C-O 3.47Å; D406-L480 VanDerWaalsContact CA-O 3.31Å; D406-L480 WeakPolarHBondContact CA-O 3.37Å; D406-L481 HydrophobicContact CB-CD2 3.75Å; D406-L481 HydrophobicContact CB-CG 4.24Å |
| 407 | L | 89.8 | Confident | 83 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.4 | 175.8 | -62.5 | 179.9 | 0 | 0 | 0 | 108.9 | P392 M405 W421 V479 L480 Y494 T509 | P392-L407 HydrophobicContact CB-CD2 3.81Å; P392-L407 HydrophobicContact CG-CB 3.77Å; P392-L407 HydrophobicContact CG-CD2 3.94Å; P392-L407 HydrophobicContact CG-CG 4.34Å; M405-L407 HydrophobicContact CE-CD1 3.78Å; M405-L407 HydrophobicContact CE-CD2 4.45Å; M405-L407 HydrophobicContact CE-CG 3.95Å; M405-L407 HydrophobicContact CG-CD2 4.35Å; M405-L407 HydrophobicContact CG-CG 4.39Å; M405-L407 HydrophobicContact SD-CD1 4.45Å; M405-L407 HydrophobicContact SD-CD2 4.11Å; M405-L407 HydrophobicContact SD-CG 4.24Å; L407-W421 HydrophobicContact CB-CH2 3.51Å; L407-W421 HydrophobicContact CB-CZ2 4.26Å; L407-W421 HydrophobicContact CB-CZ3 3.68Å; L407-W421 HydrophobicContact CD1-CZ3 4.2Å; L407-W421 WeakPolarHBondContact O-CH2 3.37Å; L407-W421 WeakPolarHBondContact O-CZ2 3.25Å; L407-V479 CarbonylContact O-C 3.49Å; L407-V479 VanDerWaalsContact O-CA 3.27Å; L407-V479 WeakPolarHBondContact O-CA 3.37Å; L407-L480 HydrophobicContact CB-CB 4.34Å; L407-L480 HydrophobicContact CD1-CD2 4.2Å; L407-L480 PolarHBondContact N-O 3.17Å; L407-L480 PolarHBondContact O-N 3.09Å; L407-Y494 HydrophobicContact CD1-CD1 4.04Å; L407-Y494 HydrophobicContact CD1-CD2 3.94Å; L407-Y494 HydrophobicContact CD1-CG 3.58Å; L407-T509 HydrophobicContact CD1-CG2 3.95Å; L407-T509 HydrophobicContact CD2-CG2 4.32Å |
| 408 | R | 90.5 | Very high | 83.3 | Confident | 106 Ų | 106 | 47.7 Ų | 47.7 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 140.5 | -175.6 | -60.7 | 178.8 | 179.8 | -105.2 | -10.3 | 111.2 | A391 P392 D406 V479 | A391-R408 CarbonylContact C-O 3.45Å; A391-R408 WeakPolarHBondContact CA-O 3.45Å; P392-R408 WeakPolarHBondContact CD-O 3.1Å; P392-R408 WeakPolarHBondContact CG-O 3.42Å; D406-R408 IonicContact OD2-CZ 3.65Å; D406-R408 IonicContact OD2-NE 3.96Å; D406-R408 PolarHBondContact OD2-NE 3.22Å; D406-R408 IonicContact OD2-NH2 3.62Å; D406-R408 PolarHBondContact OD2-NH2 3.33Å; R408-V479 HydrophobicContact CG-CG1 4.17Å; R408-V479 HydrophobicContact CG-CG2 4.06Å |
| 409 | C | 91.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 128.1 | 173.5 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | E390 I419 W421 M477 S478 C496 | E390-C409 CarbonylContact O-C 3.44Å; E390-C409 VanDerWaalsContact O-CA 3.3Å; E390-C409 WeakPolarHBondContact O-CA 3.5Å; C409-I419 HydrophobicContact CB-CG2 4.32Å; C409-I419 VanDerWaalsContact O-CD1 3.26Å; C409-I419 WeakPolarHBondContact O-CD1 3.45Å; C409-W421 HydrophobicContact CB-CH2 3.89Å; C409-W421 HydrophobicContact CB-CZ2 3.59Å; C409-M477 CarbonylContact O-C 3.57Å; C409-M477 WeakPolarHBondContact O-CA 3.48Å; C409-S478 PolarHBondContact N-O 3.49Å; C409-S478 PolarHBondContact O-N 3.1Å; C409-C496 HydrophobicContact CB-CB 3.52Å; C409-C496 WeakPolarHBondContact CB-SG 3.45Å; C409-C496 WeakPolarHBondContact SG-CB 3.33Å; C409-C496 CovalentContact SG-SG 2Å; C409-C496 PolarHBondContact SG-SG 2.77Å |
| 410 | T | 91.3 | Very high | 83.4 | Confident | 12 Ų | 12 | 45.5 Ų | 45.5 | 7% | 0.074 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134 | 179.7 | -49.3 | 0 | 0 | 0 | 0 | 109 | I389 E390 T476 M477 | I389-T410 HydrophobicContact CD1-CG2 3.7Å; I389-T410 HydrophobicContact CG1-CG2 3.73Å; I389-T410 WeakPolarHBondContact CG1-O 3.36Å; I389-T410 PolarHBondContact N-O 3.18Å; E390-T410 PolarHBondContact N-O 3.46Å; E390-T410 PolarHBondContact O-N 3.11Å; E390-T410 PolarHBondContact OE2-OG1 3.4Å; T410-T476 CarbonylContact C-O 3.53Å; T410-T476 VanDerWaalsContact CA-O 3.25Å; T410-T476 WeakPolarHBondContact CA-O 3.43Å; T410-T476 WeakPolarHBondContact CG2-O 3.13Å; T410-M477 HydrophobicContact CG2-CB 4.12Å; T410-M477 WeakPolarHBondContact OG1-CG 3.47Å |
| 411 | A | 87.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 149.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T387 I388 P417 I419 E475 T476 V498 | T387-A411 CarbonylContact O-C 3.56Å; T387-A411 VanDerWaalsContact O-CA 3.23Å; T387-A411 WeakPolarHBondContact O-CA 3.35Å; T387-A411 WeakPolarHBondContact O-CB 3.43Å; I388-A411 HydrophobicContact CB-CB 4.46Å; I388-A411 HydrophobicContact CG1-CB 4.02Å; A411-P417 HydrophobicContact CB-CG 4.37Å; A411-I419 HydrophobicContact CB-CD1 4.27Å; A411-E475 CarbonylContact O-C 3.41Å; A411-E475 VanDerWaalsContact O-CA 3.26Å; A411-E475 WeakPolarHBondContact O-CA 3.36Å; A411-T476 PolarHBondContact N-O 3.29Å; A411-T476 PolarHBondContact O-N 3.44Å; A411-V498 HydrophobicContact CB-CB 4.07Å; A411-V498 HydrophobicContact CB-CG1 3.35Å; A411-V498 HydrophobicContact CB-CG2 3.8Å |
| 412 | K | 88.7 | Confident | 83.5 | Confident | 87 Ų | 87 | 41 Ų | 41 | 38% | 0.378 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.8 | -172.8 | -172 | 170.4 | 176.3 | 146.3 | 0 | 112.3 | P386 T387 I389 T474 E475 | P386-K412 CarbonylContact C-O 3.49Å; P386-K412 VanDerWaalsContact CA-O 3.25Å; P386-K412 WeakPolarHBondContact CA-O 3.46Å; T387-K412 PolarHBondContact N-O 2.92Å; T387-K412 PolarHBondContact O-N 3.45Å; I389-K412 HydrophobicContact CG2-CB 4.19Å; K412-T474 CarbonylContact C-O 3.6Å; K412-T474 WeakPolarHBondContact CA-O 3.47Å; K412-T474 WeakPolarHBondContact CE-OG1 3.17Å; K412-T474 WeakPolarHBondContact CG-OG1 3.17Å; K412-E475 HydrophobicContact CB-CG 3.93Å; K412-E475 HydrophobicContact CD-CG 4.1Å; K412-E475 HydrophobicContact CG-CG 3.92Å; K412-E475 IonicContact NZ-OE1 3.42Å |
| 413 | G | 80.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 167.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P415 T474 | G413-P415 CarbonylContact C-O 3.49Å; G413-P415 VanDerWaalsContact C-O 3.24Å; G413-P415 CarbonylContact O-C 3.25Å; G413-T474 PolarHBondContact N-O 3.23Å |
| 414 | L | 72.9 | Confident | 83.2 | Confident | 29 Ų | 29 | 36.1 Ų | 36.1 | 15% | 0.152 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 116.4 | 175.5 | -71.5 | 167.7 | 0 | 0 | 0 | 110 | V308 P383 T384 T474 N500 | V308-L414 HydrophobicContact CG2-CB 4.41Å; P383-L414 CarbonylContact C-O 3.56Å; P383-L414 WeakPolarHBondContact CA-O 3.34Å; P383-L414 WeakPolarHBondContact CB-O 3.21Å; T384-L414 PolarHBondContact N-O 3.09Å; T384-L414 CarbonylContact O-C 3.52Å; T384-L414 PolarHBondContact O-N 3.39Å; T384-L414 WeakPolarHBondContact OG1-CB 3.36Å; T384-L414 PolarHBondContact OG1-N 3.32Å; L414-T474 HydrophobicContact CD1-CG2 4.06Å; L414-T474 HydrophobicContact CD2-CG2 3.75Å; L414-T474 HydrophobicContact CG-CG2 3.8Å; L414-N500 PolarHBondContact N-ND2 3.39Å |
| 415 | P | 70.2 | Confident | 82.8 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 5% | 0.045 | 16% | 0.16 | C | C | . | . | S | Bend | cis | -58.9 | 160.7 | -3.1 | -20.1 | 31.9 | 0 | 0 | 0 | 112.9 | E311 G413 N500 R501 | E311-P415 HydrophobicContact CG-CB 4.33Å; E311-P415 HydrophobicContact CG-CG 4Å; E311-P415 VanDerWaalsContact OE1-CB 3.26Å; E311-P415 WeakPolarHBondContact OE1-CB 3.34Å; E311-P415 WeakPolarHBondContact OE1-CG 3.04Å; G413-P415 CarbonylContact C-O 3.49Å; G413-P415 VanDerWaalsContact C-O 3.24Å; G413-P415 CarbonylContact O-C 3.25Å; P415-N500 VanDerWaalsContact O-CB 3.32Å; P415-N500 WeakPolarHBondContact O-CB 3.22Å; P415-N500 PolarHBondContact O-ND2 2.9Å; P415-R501 HydrophobicContact CG-CG 3.84Å |
| 416 | K | 70.9 | Confident | 81.5 | Confident | 86 Ų | 86 | 40.6 Ų | 40.6 | 37% | 0.374 | 19% | 0.189 | S | C | . | . | P | Polyproline II helix | trans | -50.5 | 124.9 | 179.3 | -179.4 | 173.2 | -178.8 | 173.9 | 0 | 110.4 | E475 T476 | K416-E475 WeakPolarHBondContact CE-O 3.36Å; K416-T476 WeakPolarHBondContact CE-OG1 3.5Å; K416-T476 WeakPolarHBondContact CG-OG1 3.49Å |
| 417 | P | 78.2 | Confident | 79.8 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 147.4 | -175 | 28.4 | -33.2 | 0 | 0 | 0 | 112.3 | P386 A411 T476 V498 A499 N500 | P386-P417 HydrophobicContact CB-CB 3.79Å; P386-P417 HydrophobicContact CB-CG 4.3Å; P386-P417 HydrophobicContact CG-CB 3.99Å; A411-P417 HydrophobicContact CB-CG 4.37Å; P417-T476 WeakPolarHBondContact O-CB 3.42Å; P417-T476 WeakPolarHBondContact O-CG2 3.43Å; P417-T476 PolarHBondContact O-OG1 2.94Å; P417-V498 HydrophobicContact CB-CG1 3.49Å; P417-V498 VanDerWaalsContact CB-CG1 3.49Å; P417-V498 HydrophobicContact CG-CG1 3.98Å; P417-A499 CarbonylContact C-O 3.58Å; P417-A499 WeakPolarHBondContact CA-O 3.38Å; P417-A499 WeakPolarHBondContact CB-O 3.35Å; P417-N500 HydrophobicContact CB-CB 4.34Å |
| 418 | Y | 82.1 | Confident | 77.8 | Confident | 132 Ų | 132 | 40.1 Ų | 40.1 | 52% | 0.518 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 144.9 | 167 | 65.3 | -93.7 | 0 | 0 | 0 | 110 | V498 A499 | Y418-V498 VanDerWaalsContact O-CA 3.29Å; Y418-V498 WeakPolarHBondContact O-CA 3.4Å; Y418-A499 HydrophobicContact CD1-CB 4.36Å; Y418-A499 WeakPolarHBondContact CD1-O 3.48Å; Y418-A499 HydrophobicContact CE1-CB 3.6Å; Y418-A499 WeakPolarHBondContact CE1-O 3.44Å; Y418-A499 HydrophobicContact CE2-CB 3.88Å; Y418-A499 PolarHBondContact N-O 3.18Å; Y418-A499 PolarHBondContact O-N 3.47Å; Y418-A499 VanDerWaalsContact OH-CB 3.3Å; Y418-A499 WeakPolarHBondContact OH-CB 3.35Å |
| 419 | I | 84.9 | Confident | 76.6 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 9% | 0.092 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.3 | 176.4 | -57.3 | -174.9 | 0 | 0 | 0 | 108.8 | C409 A411 T476 C496 Y497 V498 | C409-I419 HydrophobicContact CB-CG2 4.32Å; C409-I419 VanDerWaalsContact O-CD1 3.26Å; C409-I419 WeakPolarHBondContact O-CD1 3.45Å; A411-I419 HydrophobicContact CB-CD1 4.27Å; I419-T476 HydrophobicContact CD1-CG2 4Å; I419-T476 WeakPolarHBondContact CD1-O 3.41Å; I419-T476 HydrophobicContact CG1-CG2 3.91Å; I419-C496 WeakPolarHBondContact CG2-SG 3.42Å; I419-Y497 CarbonylContact C-O 3.34Å; I419-Y497 WeakPolarHBondContact CA-O 3.36Å; I419-V498 HydrophobicContact CB-CG2 4.49Å; I419-V498 HydrophobicContact CD1-CG2 4.33Å; I419-V498 HydrophobicContact CG1-CG1 4.23Å; I419-V498 HydrophobicContact CG1-CG2 3.88Å; I419-V498 HydrophobicContact CG2-CG2 4.3Å |
| 420 | S | 82.4 | Confident | 75.8 | Confident | 22 Ų | 22 | 42.7 Ų | 42.7 | 15% | 0.154 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 146.7 | 170.6 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | Y497 | S420-Y497 PolarHBondContact N-O 2.88Å; S420-Y497 PolarHBondContact O-N 3.45Å; S420-Y497 PolarHBondContact OG-O 2.83Å |
| 421 | W | 85.5 | Confident | 75.1 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 137.1 | 173.4 | -70.8 | 90.8 | 0 | 0 | 0 | 109.3 | P392 L407 C409 L432 V440 S478 L480 I495 C496 | P392-W421 HydrophobicContact CG-CH2 3.87Å; P392-W421 HydrophobicContact CG-CZ3 4.24Å; L407-W421 HydrophobicContact CB-CH2 3.51Å; L407-W421 HydrophobicContact CB-CZ2 4.26Å; L407-W421 HydrophobicContact CB-CZ3 3.68Å; L407-W421 HydrophobicContact CD1-CZ3 4.2Å; L407-W421 WeakPolarHBondContact O-CH2 3.37Å; L407-W421 WeakPolarHBondContact O-CZ2 3.25Å; C409-W421 HydrophobicContact CB-CH2 3.89Å; C409-W421 HydrophobicContact CB-CZ2 3.59Å; W421-L432 HydrophobicContact CB-CB 4Å; W421-L432 HydrophobicContact CB-CD1 4.44Å; W421-L432 PolarHBondContact O-N 3.16Å; W421-V440 HydrophobicContact CB-CG2 4.35Å; W421-V440 HydrophobicContact CG-CG2 4.43Å; W421-S478 PolarHBondContact NE1-OG 2.93Å; W421-S478 VanDerWaalsContact NE1-OG 3.11Å; W421-L480 HydrophobicContact CB-CB 4.43Å; W421-L480 HydrophobicContact CB-CD2 4.14Å; W421-L480 HydrophobicContact CD2-CB 3.47Å; W421-L480 VanDerWaalsContact CD2-CB 3.47Å; W421-L480 HydrophobicContact CD2-CD2 3.94Å; W421-L480 HydrophobicContact CD2-CG 4.32Å; W421-L480 HydrophobicContact CE3-CB 3.95Å; W421-L480 HydrophobicContact CE3-CD2 3.76Å; W421-L480 HydrophobicContact CG-CB 3.68Å; W421-L480 HydrophobicContact CG-CD2 4.12Å; W421-L480 HydrophobicContact CG-CG 4.36Å; W421-L480 HydrophobicContact CZ2-CB 4.1Å; W421-L480 HydrophobicContact CZ3-CB 4.45Å; W421-L480 HydrophobicContact CZ3-CD2 4.48Å; W421-I495 CarbonylContact C-O 3.39Å; W421-I495 WeakPolarHBondContact CA-O 3.48Å; W421-C496 HydrophobicContact CE3-CB 4.41Å; W421-C496 HydrophobicContact CH2-CB 4.19Å; W421-C496 HydrophobicContact CZ3-CB 4.13Å |
| 422 | V | 83.1 | Confident | 74.6 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 13% | 0.127 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 125.5 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 107.5 | P429 L430 Y494 I495 | V422-P429 HydrophobicContact CG1-CB 3.39Å; V422-L430 CarbonylContact C-O 3.48Å; V422-L430 WeakPolarHBondContact CA-O 3.13Å; V422-Y494 CarbonylContact O-C 3.56Å; V422-Y494 WeakPolarHBondContact O-CA 3.43Å; V422-I495 HydrophobicContact CB-CB 4.26Å; V422-I495 PolarHBondContact N-O 3.11Å; V422-I495 PolarHBondContact O-N 3.44Å |
| 423 | W | 84.3 | Confident | 73.5 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 15% | 0.148 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.9 | 166.5 | 178.8 | 84.7 | 0 | 0 | 0 | 108.4 | K425 L430 L432 D489 R493 Y494 | W423-K425 HydrophobicContact CE3-CB 4.28Å; W423-K425 HydrophobicContact CH2-CB 3.25Å; W423-K425 HydrophobicContact CH2-CD 3.73Å; W423-K425 HydrophobicContact CH2-CG 4.1Å; W423-K425 HydrophobicContact CZ2-CB 3.58Å; W423-K425 HydrophobicContact CZ2-CD 4.18Å; W423-K425 HydrophobicContact CZ2-CG 4.44Å; W423-K425 HydrophobicContact CZ3-CB 3.62Å; W423-L430 HydrophobicContact CE3-CB 4.15Å; W423-L430 HydrophobicContact CE3-CD2 4.21Å; W423-L430 PolarHBondContact N-O 2.97Å; W423-L430 WeakPolarHBondContact O-CA 3.14Å; W423-L430 WeakPolarHBondContact O-CB 3.41Å; W423-L430 PolarHBondContact O-N 2.94Å; W423-L432 HydrophobicContact CB-CD1 3.76Å; W423-L432 HydrophobicContact CB-CD2 3.82Å; W423-L432 HydrophobicContact CB-CG 3.82Å; W423-D489 PolarHBondContact NE1-O 3.16Å; W423-R493 WeakPolarHBondContact CA-O 3.47Å; W423-Y494 HydrophobicContact CB-CD1 4.16Å; W423-Y494 HydrophobicContact CB-CE1 4.19Å; W423-Y494 AromaticContact CD1-CD1 3.75Å; W423-Y494 AromaticContact CD1-CD2 3.98Å; W423-Y494 AromaticContact CD1-CE1 3.42Å; W423-Y494 VanDerWaalsContact CD1-CE1 3.42Å; W423-Y494 AromaticContact CD1-CE2 3.64Å; W423-Y494 AromaticContact CD1-CZ 3.37Å; W423-Y494 HydrophobicContact CG-CD1 4.36Å; W423-Y494 HydrophobicContact CG-CE1 4.11Å; W423-Y494 AromaticContact NE1-CE2 3.98Å; W423-Y494 AromaticContact NE1-CZ 3.82Å |
| 424 | Q | 75.5 | Confident | 73 | Confident | 20 Ų | 20 | 52.5 Ų | 52.5 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 102.4 | -175.9 | -175.9 | -179.4 | -9.4 | 0 | 0 | 108.5 | G492 R493 I495 T578 | Q424-G492 CarbonylContact O-C 3.28Å; Q424-G492 VanDerWaalsContact O-CA 3.3Å; Q424-G492 WeakPolarHBondContact O-CA 3.39Å; Q424-R493 HydrophobicContact CB-CG 4.1Å; Q424-R493 PolarHBondContact N-O 2.81Å; Q424-R493 PolarHBondContact O-N 3.18Å; Q424-I495 HydrophobicContact CB-CD1 4.19Å; Q424-T578 PolarHBondContact NE2-OG1 2.92Å |
| 425 | K | 74.7 | Confident | 72.1 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 30% | 0.296 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.4 | 165.5 | 172.7 | 179.1 | -178.7 | 170.1 | 0 | 107.9 | W423 S427 L428 H491 | W423-K425 HydrophobicContact CE3-CB 4.28Å; W423-K425 HydrophobicContact CH2-CB 3.25Å; W423-K425 HydrophobicContact CH2-CD 3.73Å; W423-K425 HydrophobicContact CH2-CG 4.1Å; W423-K425 HydrophobicContact CZ2-CB 3.58Å; W423-K425 HydrophobicContact CZ2-CD 4.18Å; W423-K425 HydrophobicContact CZ2-CG 4.44Å; W423-K425 HydrophobicContact CZ3-CB 3.62Å; K425-S427 PolarHBondContact O-N 3.14Å; K425-L428 PolarHBondContact O-N 3.35Å; K425-H491 HydrophobicContact CD-CB 3.57Å; K425-H491 HydrophobicContact CG-CB 4.13Å; K425-H491 PolarHBondContact NZ-ND1 3.5Å; K425-H491 VanDerWaalsContact NZ-ND1 3.15Å |
| 426 | D | 60.1 | Low | 71.9 | Confident | 125 Ų | 125 | 55.9 Ų | 55.9 | 67% | 0.668 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 38.8 | 53.8 | 173 | -54.2 | -42.6 | 0 | 0 | 0 | 111 | ||
| 427 | S | 50.6 | Low | 72.3 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.6 | -10.6 | 161.9 | 82.8 | 0 | 0 | 0 | 0 | 122.9 | K425 P429 D577 T578 | K425-S427 PolarHBondContact O-N 3.14Å; S427-P429 WeakPolarHBondContact O-CD 3.38Å; S427-D577 VanDerWaalsContact CB-CB 3.42Å; S427-D577 WeakPolarHBondContact CB-OD1 3.43Å; S427-D577 WeakPolarHBondContact OG-CA 3.29Å; S427-D577 WeakPolarHBondContact OG-CB 3.1Å; S427-D577 PolarHBondContact OG-OD1 3.18Å; S427-D577 VanDerWaalsContact OG-OD1 3.11Å; S427-D577 PolarHBondContact OG-OD2 3.26Å; S427-T578 PolarHBondContact O-N 3.22Å; S427-T578 PolarHBondContact O-OG1 2.93Å |
| 428 | L | 48.6 | Very low | 72.5 | Confident | 61 Ų | 61 | 56.8 Ų | 56.8 | 32% | 0.319 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 109.2 | 166 | -82.2 | 115 | 0 | 0 | 0 | 109.4 | K425 L430 D573 R576 | K425-L428 PolarHBondContact O-N 3.35Å; L428-L430 PolarHBondContact O-N 2.98Å; L428-D573 HydrophobicContact CD1-CB 4.06Å; L428-R576 HydrophobicContact CD2-CB 4.3Å; L428-R576 HydrophobicContact CG-CB 4.14Å |
| 429 | P | 65.4 | Low | 72.4 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 109.5 | 169.8 | 29.5 | -33 | 0 | 0 | 0 | 109.3 | V422 S427 | V422-P429 HydrophobicContact CG1-CB 3.39Å; S427-P429 WeakPolarHBondContact O-CD 3.38Å |
| 430 | L | 75.1 | Confident | 72.1 | Confident | 89 Ų | 89 | 52.2 Ų | 52.2 | 47% | 0.466 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 107.5 | 166 | -177.3 | 68.7 | 0 | 0 | 0 | 108.1 | V422 W423 L428 L432 | V422-L430 CarbonylContact C-O 3.48Å; V422-L430 WeakPolarHBondContact CA-O 3.13Å; W423-L430 HydrophobicContact CE3-CB 4.15Å; W423-L430 HydrophobicContact CE3-CD2 4.21Å; W423-L430 PolarHBondContact N-O 2.97Å; W423-L430 WeakPolarHBondContact O-CA 3.14Å; W423-L430 WeakPolarHBondContact O-CB 3.41Å; W423-L430 PolarHBondContact O-N 2.94Å; L428-L430 PolarHBondContact O-N 2.98Å; L430-L432 HydrophobicContact CD2-CD2 4.01Å; L430-L432 HydrophobicContact CG-CD2 4.28Å; L430-L432 PolarHBondContact O-N 2.83Å; L430-L432 VanDerWaalsContact O-N 3.09Å |
| 431 | Q | 76.5 | Confident | 71.9 | Confident | 123 Ų | 123 | 57.4 Ų | 57.4 | 58% | 0.575 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 115.9 | 170.8 | -173.9 | 175.3 | -4.3 | 0 | 0 | 108.9 | V433 | Q431-V433 HydrophobicContact CG-CG1 4.34Å; Q431-V433 PolarHBondContact O-N 3.01Å |
| 432 | L | 77.5 | Confident | 70.9 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.037 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 116.4 | 176.3 | -61.7 | -177.9 | 0 | 0 | 0 | 108.4 | W421 W423 L430 Y438 V440 L480 Y494 | W421-L432 HydrophobicContact CB-CB 4Å; W421-L432 HydrophobicContact CB-CD1 4.44Å; W421-L432 PolarHBondContact O-N 3.16Å; W423-L432 HydrophobicContact CB-CD1 3.76Å; W423-L432 HydrophobicContact CB-CD2 3.82Å; W423-L432 HydrophobicContact CB-CG 3.82Å; L430-L432 HydrophobicContact CD2-CD2 4.01Å; L430-L432 HydrophobicContact CG-CD2 4.28Å; L430-L432 PolarHBondContact O-N 2.83Å; L430-L432 VanDerWaalsContact O-N 3.09Å; L432-Y438 HydrophobicContact CD1-CD1 4.07Å; L432-Y438 HydrophobicContact CD1-CE1 4.44Å; L432-Y438 HydrophobicContact CD2-CD1 3.92Å; L432-Y438 HydrophobicContact CD2-CD2 3.9Å; L432-Y438 HydrophobicContact CD2-CE1 4.1Å; L432-Y438 HydrophobicContact CD2-CE2 4.05Å; L432-Y438 HydrophobicContact CD2-CG 3.82Å; L432-V440 WeakPolarHBondContact O-CG2 3.47Å; L432-L480 HydrophobicContact CB-CD1 4.25Å; L432-L480 HydrophobicContact CD1-CD1 3.85Å; L432-L480 HydrophobicContact CD1-CD2 3.35Å; L432-L480 HydrophobicContact CD1-CG 4.25Å; L432-Y494 HydrophobicContact CD1-CD1 3.64Å; L432-Y494 HydrophobicContact CD1-CE1 3.74Å |
| 433 | V | 65 | Low | 69.7 | Low | 90 Ų | 90 | 65.3 Ų | 65.3 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | trans | -113.6 | 162.6 | 170.6 | -65.7 | 0 | 0 | 0 | 0 | 108.5 | Q431 G435 | Q431-V433 HydrophobicContact CG-CG1 4.34Å; Q431-V433 PolarHBondContact O-N 3.01Å; V433-G435 PolarHBondContact O-N 2.81Å | ||
| 434 | T | 70.4 | Confident | 67.7 | Low | 87 Ų | 87 | 67.4 Ų | 67.4 | 53% | 0.534 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -62.7 | 112.6 | 173.8 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | Y438 I439 V440 | T434-Y438 WeakPolarHBondContact CA-O 3.28Å; T434-I439 HydrophobicContact CG2-CG2 4.14Å; T434-V440 PolarHBondContact OG1-N 2.92Å; T434-V440 PolarHBondContact OG1-O 3.14Å |
| 435 | G | 52.4 | Low | 65.8 | Low | 34 Ų | 34 | 70.6 Ų | 70.6 | 35% | 0.351 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | 173.9 | 137.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V433 R437 Y438 | V433-G435 PolarHBondContact O-N 2.81Å; G435-R437 PolarHBondContact O-N 2.77Å; G435-Y438 CarbonylContact C-O 3.46Å; G435-Y438 PolarHBondContact N-O 2.82Å; G435-Y438 PolarHBondContact O-N 3.07Å; G435-Y438 VanDerWaalsContact O-N 3.16Å; G435-Y438 VanDerWaalsContact O-O 3.12Å |
| 436 | G | 67.6 | Low | 63.7 | Low | 72 Ų | 72 | 73.7 Ų | 73.7 | 74% | 0.742 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | -119.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 437 | R | 79.5 | Confident | 62.2 | Low | 74 Ų | 74 | 74.7 Ų | 74.7 | 28% | 0.279 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -24.7 | -179.1 | -41.5 | -161.8 | -58.1 | 154.4 | -2.7 | 113.1 | G435 V482 R483 N484 T486 D489 | G435-R437 PolarHBondContact O-N 2.77Å; R437-V482 CarbonylContact O-C 3.44Å; R437-R483 PolarHBondContact O-N 3.45Å; R437-N484 PolarHBondContact NH1-O 2.67Å; R437-N484 VanDerWaalsContact NH1-O 3.11Å; R437-T486 PolarHBondContact NH1-OG1 3.18Å; R437-D489 IonicContact CZ-OD1 3.57Å; R437-D489 IonicContact CZ-OD2 3.31Å; R437-D489 VanDerWaalsContact CZ-OD2 3.27Å; R437-D489 IonicContact NH1-OD2 3.07Å; R437-D489 PolarHBondContact NH1-OD2 3.41Å; R437-D489 IonicContact NH2-OD1 3.81Å; R437-D489 PolarHBondContact NH2-OD1 2.87Å; R437-D489 IonicContact NH2-OD2 2.76Å; R437-D489 PolarHBondContact NH2-OD2 3.47Å |
| 438 | Y | 82.5 | Confident | 61.1 | Low | 35 Ų | 35 | 82 Ų | 82 | 14% | 0.137 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.2 | -172.1 | -53.1 | -76.3 | 0 | 0 | 0 | 110.4 | L432 T434 G435 L481 V482 D489 Y494 | L432-Y438 HydrophobicContact CD1-CD1 4.07Å; L432-Y438 HydrophobicContact CD1-CE1 4.44Å; L432-Y438 HydrophobicContact CD2-CD1 3.92Å; L432-Y438 HydrophobicContact CD2-CD2 3.9Å; L432-Y438 HydrophobicContact CD2-CE1 4.1Å; L432-Y438 HydrophobicContact CD2-CE2 4.05Å; L432-Y438 HydrophobicContact CD2-CG 3.82Å; T434-Y438 WeakPolarHBondContact CA-O 3.28Å; G435-Y438 CarbonylContact C-O 3.46Å; G435-Y438 PolarHBondContact N-O 2.82Å; G435-Y438 PolarHBondContact O-N 3.07Å; G435-Y438 VanDerWaalsContact O-N 3.16Å; G435-Y438 VanDerWaalsContact O-O 3.12Å; Y438-L481 CarbonylContact C-O 3.59Å; Y438-L481 WeakPolarHBondContact CA-O 3.14Å; Y438-V482 HydrophobicContact CD1-CB 4.32Å; Y438-V482 HydrophobicContact CD1-CG1 3.87Å; Y438-V482 HydrophobicContact CD1-CG2 3.88Å; Y438-V482 HydrophobicContact CE1-CB 4.48Å; Y438-V482 HydrophobicContact CE1-CG1 3.65Å; Y438-V482 HydrophobicContact CE1-CG2 4.15Å; Y438-D489 PolarHBondContact OH-OD1 3.17Å; Y438-D489 VanDerWaalsContact OH-OD1 3.09Å; Y438-Y494 HydrophobicContact CE1-CE1 4.32Å |
| 439 | I | 78.6 | Confident | 60.1 | Low | 24 Ų | 24 | 83.8 Ų | 83.8 | 12% | 0.123 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 112.4 | 179.5 | -60.4 | 174.7 | 0 | 0 | 0 | 108.5 | T434 R441 L480 L481 R483 | T434-I439 HydrophobicContact CG2-CG2 4.14Å; I439-R441 HydrophobicContact CG2-CG 4.04Å; I439-L480 CarbonylContact O-C 3.57Å; I439-L481 HydrophobicContact CB-CB 3.98Å; I439-L481 HydrophobicContact CG2-CD1 4.43Å; I439-L481 PolarHBondContact N-O 2.91Å; I439-L481 PolarHBondContact O-N 2.74Å; I439-R483 HydrophobicContact CD1-CG 4.48Å; I439-R483 VanDerWaalsContact CD1-NE 3.27Å |
| 440 | V | 80 | Confident | 58.4 | Low | 29 Ų | 29 | 87.7 Ų | 87.7 | 18% | 0.176 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 118.9 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | W421 L432 T434 S478 V479 L480 | W421-V440 HydrophobicContact CB-CG2 4.35Å; W421-V440 HydrophobicContact CG-CG2 4.43Å; L432-V440 WeakPolarHBondContact O-CG2 3.47Å; T434-V440 PolarHBondContact OG1-N 2.92Å; T434-V440 PolarHBondContact OG1-O 3.14Å; V440-S478 WeakPolarHBondContact CG1-OG 3.45Å; V440-V479 CarbonylContact C-O 3.47Å; V440-V479 WeakPolarHBondContact CA-O 3.32Å; V440-L480 HydrophobicContact CG2-CD1 3.79Å |
| 441 | R | 77.1 | Confident | 56 | Low | 132 Ų | 132 | 93.1 Ų | 93.1 | 50% | 0.498 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 112.2 | 178.3 | -66.4 | -176.6 | 174.7 | 172.7 | -2.3 | 110.4 | I439 S478 V479 L481 | I439-R441 HydrophobicContact CG2-CG 4.04Å; R441-S478 CarbonylContact O-C 3.5Å; R441-S478 WeakPolarHBondContact O-CA 3.39Å; R441-V479 HydrophobicContact CB-CB 4.46Å; R441-V479 PolarHBondContact N-O 3.46Å; R441-V479 PolarHBondContact O-N 3.32Å; R441-L481 HydrophobicContact CG-CD1 4.42Å |
| 442 | S | 65.7 | Low | 53.8 | Low | 86 Ų | 86 | 95.8 Ų | 95.8 | 60% | 0.601 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.8 | 167.4 | -58.7 | 0 | 0 | 0 | 0 | 109.3 | M477 | S442-M477 CarbonylContact C-O 3.56Å; S442-M477 WeakPolarHBondContact CA-O 3.1Å |
| 443 | H | 56.2 | Low | 51.3 | Low | 102 Ų | 102 | 106.8 Ų | 106.8 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 112.1 | 175.8 | -101.9 | -50.3 | 0 | 0 | 0 | 109.4 | T445 M477 | H443-T445 PolarHBondContact O-N 2.62Å; H443-M477 HydrophobicContact CB-CE 3.27Å; H443-M477 PolarHBondContact N-O 2.97Å |
| 444 | S | 42.9 | Very low | 49.7 | Very low | 83 Ų | 83 | 112.6 Ų | 112.6 | 58% | 0.58 | 59% | 0.585 | S | S | * | * | trans | -76.1 | 111.7 | 151.7 | 48.2 | 0 | 0 | 0 | 0 | 107.5 | E446 | S444-E446 PolarHBondContact O-N 3.17Š| ||
| 445 | T | 35.6 | Very low | 47.7 | Very low | 86 Ų | 86 | 117 Ų | 117 | 53% | 0.528 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -66.5 | 96.1 | 171.7 | 47.9 | 0 | 0 | 0 | 0 | 109.3 | H443 K473 M477 | H443-T445 PolarHBondContact O-N 2.62Å; T445-K473 PolarHBondContact O-NZ 2.78Å; T445-M477 HydrophobicContact CG2-CE 4.43Å |
| 446 | E | 31.6 | Very low | 46.7 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 63% | 0.626 | 62% | 0.62 | S | S | * | * | trans | 167.2 | 94.4 | 137.3 | -90.9 | 164.5 | -143.6 | 0 | 0 | 111.4 | S444 K473 | S444-E446 PolarHBondContact O-N 3.17Å; E446-K473 IonicContact OE1-NZ 2.65Å; E446-K473 PolarHBondContact OE1-NZ 2.74Å; E446-K473 IonicContact OE2-NZ 3.99Å | ||
| 447 | I | 28.4 | Very low | 44.7 | Very low | 146 Ų | 146 | 127 Ų | 127 | 75% | 0.749 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -122 | 0.9 | 160.6 | -73.8 | -178.4 | 0 | 0 | 0 | 111.7 | ||
| 448 | N | 27.4 | Very low | 42.5 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 85% | 0.845 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -125 | 64.1 | -176.3 | -79.2 | -16.5 | 0 | 0 | 0 | 113.7 | ||
| 449 | S | 27.5 | Very low | 40 | Very low | 99 Ų | 99 | 133.1 Ų | 133.1 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 179.6 | 89.1 | 150.6 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 450 | L | 28.4 | Very low | 37.8 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -172.9 | 82.9 | 148.4 | -97.1 | 160.9 | 0 | 0 | 0 | 106.9 | F452 | L450-F452 VanDerWaalsContact C-N 3.28Å; L450-F452 HydrophobicContact CD2-CD2 3.83Å; L450-F452 HydrophobicContact CD2-CE2 4.07Å; L450-F452 PolarHBondContact O-N 3.47Å | ||
| 451 | Q | 25.7 | Very low | 35.4 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 95% | 0.953 | 72% | 0.719 | S | S | * | * | trans | -63.1 | 91.9 | 161 | -82.3 | 177.6 | -33.7 | 0 | 0 | 108.3 | ||||
| 452 | F | 29.3 | Very low | 33.2 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | trans | -124.4 | 117.8 | 156.1 | -90 | -82.4 | 0 | 0 | 0 | 109.3 | L450 F454 | L450-F452 VanDerWaalsContact C-N 3.28Å; L450-F452 HydrophobicContact CD2-CD2 3.83Å; L450-F452 HydrophobicContact CD2-CE2 4.07Å; L450-F452 PolarHBondContact O-N 3.47Å; F452-F454 PolarHBondContact O-N 2.83Å | ||
| 453 | R | 25.4 | Very low | 31.7 | Very low | 237 Ų | 237 | 139 Ų | 139 | 89% | 0.894 | 71% | 0.707 | S | S | * | * | trans | -57.9 | 116.7 | -176.4 | -66.1 | 170.8 | -179.4 | 168.7 | -0.5 | 111.2 | ||||
| 454 | F | 30.7 | Very low | 30.7 | Very low | 213 Ų | 213 | 138.4 Ų | 138.4 | 93% | 0.934 | 71% | 0.707 | S | S | * | * | trans | -144.2 | 118 | 143.2 | -85.3 | -73.3 | 0 | 0 | 0 | 109.9 | F452 | F452-F454 PolarHBondContact O-N 2.83Š| ||
| 455 | Q | 28.4 | Very low | 30.6 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 71% | 0.713 | S | S | * | * | trans | -73.2 | 149.8 | 175.4 | -71.2 | 169.2 | -52.6 | 0 | 0 | 110.3 | ||||
| 456 | N | 31.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 99.9 | 97.5 | 166.8 | -57.6 | -21.4 | 0 | 0 | 0 | 117.4 | ||
| 457 | N | 27.5 | Very low | 30.8 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 90% | 0.904 | 71% | 0.707 | S | S | * | * | trans | 36 | 83.1 | 143.1 | -70.5 | -9 | 0 | 0 | 0 | 117.8 | ||||
| 458 | L | 32.8 | Very low | 31.3 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 84% | 0.843 | 69% | 0.685 | S | S | * | * | trans | -132.2 | 133.9 | 165.2 | -86.9 | 153.8 | 0 | 0 | 0 | 110.9 | ||||
| 459 | S | 30.1 | Very low | 31.7 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 54% | 0.538 | 66% | 0.66 | S | S | . | * | trans | -51.2 | 147.2 | -172.9 | 51.7 | 0 | 0 | 0 | 0 | 114.8 | Y461 S462 | S459-Y461 PolarHBondContact O-N 3.23Å; S459-S462 PolarHBondContact O-N 3.22Å; S459-S462 VanDerWaalsContact O-N 3.08Å | ||
| 460 | I | 30.9 | Very low | 32.4 | Very low | 166 Ų | 166 | 134.5 Ų | 134.5 | 85% | 0.851 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 0.3 | 175.1 | -74.2 | 164.7 | 0 | 0 | 0 | 114.6 | ||
| 461 | Y | 29.7 | Very low | 33.1 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 40% | 0.396 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -121.1 | 44.7 | 172.8 | -64.4 | -93.1 | 0 | 0 | 0 | 111.4 | V98 S459 T463 | V98-Y461 HydrophobicContact CB-CE2 4.05Å; V98-Y461 HydrophobicContact CG1-CD2 4.03Å; V98-Y461 HydrophobicContact CG1-CE2 3.24Å; V98-Y461 HydrophobicContact CG2-CD2 4.12Å; V98-Y461 HydrophobicContact CG2-CE1 4.29Å; V98-Y461 HydrophobicContact CG2-CE2 3.76Å; S459-Y461 PolarHBondContact O-N 3.23Å; Y461-T463 PolarHBondContact O-N 3.26Å |
| 462 | S | 30.7 | Very low | 34.3 | Very low | 65 Ų | 65 | 129.3 Ų | 129.3 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | trans | -62.1 | 109.7 | 168.3 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | S459 D464 | S459-S462 PolarHBondContact O-N 3.22Å; S459-S462 VanDerWaalsContact O-N 3.08Å; S462-D464 PolarHBondContact O-N 2.92Å | ||
| 463 | T | 35.4 | Very low | 35.5 | Very low | 64 Ų | 64 | 125.3 Ų | 125.3 | 39% | 0.393 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.8 | 21.3 | -179.1 | 29 | 0 | 0 | 0 | 0 | 113.6 | R343 Y461 | R343-T463 VanDerWaalsContact NH2-CB 3.34Å; R343-T463 PolarHBondContact NH2-OG1 3.07Å; Y461-T463 PolarHBondContact O-N 3.26Å |
| 464 | D | 35.1 | Very low | 37.6 | Very low | 88 Ų | 88 | 115.7 Ų | 115.7 | 47% | 0.471 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93 | 1.7 | 174.3 | -69.4 | -24 | 0 | 0 | 0 | 112.7 | R343 S462 Y466 I467 | R343-D464 IonicContact NH1-OD1 2.95Å; S462-D464 PolarHBondContact O-N 2.92Å; D464-Y466 VanDerWaalsContact C-N 3.26Å; D464-Y466 PolarHBondContact O-N 3.1Å; D464-I467 HydrophobicContact CB-CD1 3.95Å; D464-I467 WeakPolarHBondContact O-CD1 3.49Å; D464-I467 WeakPolarHBondContact O-CG1 3.29Å |
| 465 | Q | 39.8 | Very low | 40 | Very low | 150 Ų | 150 | 109.7 Ų | 109.7 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 3.8 | 173.4 | -117.3 | -178 | -2.5 | 0 | 0 | 114.8 | ||
| 466 | Y | 35.2 | Very low | 42.4 | Very low | 161 Ų | 161 | 101.9 Ų | 101.9 | 63% | 0.631 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | 22.3 | 178.3 | -66.4 | -77.4 | 0 | 0 | 0 | 113.1 | D464 | D464-Y466 VanDerWaalsContact C-N 3.26Å; D464-Y466 PolarHBondContact O-N 3.1Å |
| 467 | I | 36.2 | Very low | 45 | Very low | 79 Ų | 79 | 96.6 Ų | 96.6 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | trans | -87.5 | 118.8 | -174.8 | -65.7 | 176.7 | 0 | 0 | 0 | 110.2 | I316 D464 | I316-I467 HydrophobicContact CD1-CB 4.44Å; I316-I467 HydrophobicContact CD1-CG1 4.49Å; I316-I467 HydrophobicContact CD1-CG2 4.38Å; D464-I467 HydrophobicContact CB-CD1 3.95Å; D464-I467 WeakPolarHBondContact O-CD1 3.49Å; D464-I467 WeakPolarHBondContact O-CG1 3.29Å | ||
| 468 | L | 39.4 | Very low | 47.8 | Very low | 54 Ų | 54 | 88.6 Ų | 88.6 | 28% | 0.283 | 45% | 0.452 | S | S | . | . | S | Bend | trans | 72.6 | 140 | 171.5 | -60.3 | 160.5 | 0 | 0 | 0 | 114.8 | Q303 E470 | Q303-L468 HydrophobicContact CB-CD2 4.4Å; Q303-L468 HydrophobicContact CG-CD2 4.15Å; L468-E470 PolarHBondContact O-N 3.31Å |
| 469 | A | 36.5 | Very low | 50.5 | Low | 40 Ų | 40 | 81.3 Ų | 81.3 | 33% | 0.331 | 41% | 0.414 | S | S | . | . | trans | -63.5 | 67.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | V305 N471 | V305-A469 HydrophobicContact CB-CB 4.23Å; V305-A469 HydrophobicContact CG1-CB 3.67Å; V305-A469 HydrophobicContact CG2-CB 4.01Å; A469-N471 PolarHBondContact O-N 3.04Å | ||
| 470 | E | 41.5 | Very low | 53.3 | Low | 141 Ų | 141 | 77.6 Ų | 77.6 | 66% | 0.659 | 39% | 0.389 | S | S | * | . | trans | -56.5 | 119.9 | 159.2 | -76.5 | -171.3 | 157.3 | 0 | 0 | 105.2 | L468 E472 | L468-E470 PolarHBondContact O-N 3.31Å; E470-E472 VanDerWaalsContact C-N 3.35Å; E470-E472 VanDerWaalsContact O-CA 3.28Å; E470-E472 WeakPolarHBondContact O-CA 3.45Å; E470-E472 PolarHBondContact O-N 3.23Å | ||
| 471 | N | 43.8 | Very low | 56 | Low | 137 Ų | 137 | 71.1 Ų | 71.1 | 73% | 0.733 | 36% | 0.356 | S | S | * | . | trans | -23 | 97.3 | 172.5 | -78 | -42.3 | 0 | 0 | 0 | 109.1 | A469 K473 | A469-N471 PolarHBondContact O-N 3.04Å; N471-K473 PolarHBondContact O-N 2.83Å | ||
| 472 | E | 50.3 | Low | 58.8 | Low | 108 Ų | 108 | 66.3 Ų | 66.3 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | trans | -53.2 | 111.8 | -166.7 | -100.3 | -165.4 | 157.9 | 0 | 0 | 106 | E470 T474 | E470-E472 VanDerWaalsContact C-N 3.35Å; E470-E472 VanDerWaalsContact O-CA 3.28Å; E470-E472 WeakPolarHBondContact O-CA 3.45Å; E470-E472 PolarHBondContact O-N 3.23Å; E472-T474 PolarHBondContact O-N 2.99Å | ||
| 473 | K | 54.8 | Low | 61.4 | Low | 95 Ų | 95 | 69.4 Ų | 69.4 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | trans | -53.7 | 118 | -176.7 | -80.9 | -176 | -178.1 | 174.8 | 0 | 104.3 | T445 E446 N471 E475 | T445-K473 PolarHBondContact O-NZ 2.78Å; E446-K473 IonicContact OE1-NZ 2.65Å; E446-K473 PolarHBondContact OE1-NZ 2.74Å; E446-K473 IonicContact OE2-NZ 3.99Å; N471-K473 PolarHBondContact O-N 2.83Å; K473-E475 PolarHBondContact O-N 3Å | ||
| 474 | T | 69.5 | Low | 63.8 | Low | 35 Ų | 35 | 70.2 Ų | 70.2 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -59.2 | -14.3 | -175.3 | 50.2 | 0 | 0 | 0 | 0 | 111.1 | K412 G413 L414 E472 | K412-T474 CarbonylContact C-O 3.6Å; K412-T474 WeakPolarHBondContact CA-O 3.47Å; K412-T474 WeakPolarHBondContact CE-OG1 3.17Å; K412-T474 WeakPolarHBondContact CG-OG1 3.17Å; G413-T474 PolarHBondContact N-O 3.23Å; L414-T474 HydrophobicContact CD1-CG2 4.06Å; L414-T474 HydrophobicContact CD2-CG2 3.75Å; L414-T474 HydrophobicContact CG-CG2 3.8Å; E472-T474 PolarHBondContact O-N 2.99Å |
| 475 | E | 80.6 | Confident | 66.2 | Low | 88 Ų | 88 | 66 Ų | 66 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 134.6 | -171.3 | -66.2 | 167.4 | -162.5 | 0 | 0 | 112.7 | I389 A411 K412 K416 K473 | I389-E475 HydrophobicContact CD1-CG 3.8Å; A411-E475 CarbonylContact O-C 3.41Å; A411-E475 VanDerWaalsContact O-CA 3.26Å; A411-E475 WeakPolarHBondContact O-CA 3.36Å; K412-E475 HydrophobicContact CB-CG 3.93Å; K412-E475 HydrophobicContact CD-CG 4.1Å; K412-E475 HydrophobicContact CG-CG 3.92Å; K412-E475 IonicContact NZ-OE1 3.42Å; K416-E475 WeakPolarHBondContact CE-O 3.36Å; K473-E475 PolarHBondContact O-N 3Å |
| 476 | T | 79.1 | Confident | 68.4 | Low | 16 Ų | 16 | 60.3 Ų | 60.3 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.1 | 171.3 | -57.4 | 0 | 0 | 0 | 0 | 108.5 | T410 A411 K416 P417 I419 | T410-T476 CarbonylContact C-O 3.53Å; T410-T476 VanDerWaalsContact CA-O 3.25Å; T410-T476 WeakPolarHBondContact CA-O 3.43Å; T410-T476 WeakPolarHBondContact CG2-O 3.13Å; A411-T476 PolarHBondContact N-O 3.29Å; A411-T476 PolarHBondContact O-N 3.44Å; K416-T476 WeakPolarHBondContact CE-OG1 3.5Å; K416-T476 WeakPolarHBondContact CG-OG1 3.49Å; P417-T476 WeakPolarHBondContact O-CB 3.42Å; P417-T476 WeakPolarHBondContact O-CG2 3.43Å; P417-T476 PolarHBondContact O-OG1 2.94Å; I419-T476 HydrophobicContact CD1-CG2 4Å; I419-T476 WeakPolarHBondContact CD1-O 3.41Å; I419-T476 HydrophobicContact CG1-CG2 3.91Å |
| 477 | M | 86.2 | Confident | 70.7 | Confident | 34 Ų | 34 | 55.8 Ų | 55.8 | 17% | 0.167 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.6 | 173.3 | -176.6 | 171.4 | 69.4 | 0 | 0 | 110.4 | C409 T410 S442 H443 T445 | C409-M477 CarbonylContact O-C 3.57Å; C409-M477 WeakPolarHBondContact O-CA 3.48Å; T410-M477 HydrophobicContact CG2-CB 4.12Å; T410-M477 WeakPolarHBondContact OG1-CG 3.47Å; S442-M477 CarbonylContact C-O 3.56Å; S442-M477 WeakPolarHBondContact CA-O 3.1Å; H443-M477 HydrophobicContact CB-CE 3.27Å; H443-M477 PolarHBondContact N-O 2.97Å; T445-M477 HydrophobicContact CG2-CE 4.43Å |
| 478 | S | 87 | Confident | 72.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142 | 174.4 | -175.6 | 0 | 0 | 0 | 0 | 110.7 | C409 W421 V440 R441 | C409-S478 PolarHBondContact N-O 3.49Å; C409-S478 PolarHBondContact O-N 3.1Å; W421-S478 PolarHBondContact NE1-OG 2.93Å; W421-S478 VanDerWaalsContact NE1-OG 3.11Å; V440-S478 WeakPolarHBondContact CG1-OG 3.45Å; R441-S478 CarbonylContact O-C 3.5Å; R441-S478 WeakPolarHBondContact O-CA 3.39Å |
| 479 | V | 88.9 | Confident | 75 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.2 | 179.7 | -174.2 | 0 | 0 | 0 | 0 | 109 | D406 L407 R408 V440 R441 | D406-V479 HydrophobicContact CB-CG1 4.03Å; L407-V479 CarbonylContact O-C 3.49Å; L407-V479 VanDerWaalsContact O-CA 3.27Å; L407-V479 WeakPolarHBondContact O-CA 3.37Å; R408-V479 HydrophobicContact CG-CG1 4.17Å; R408-V479 HydrophobicContact CG-CG2 4.06Å; V440-V479 CarbonylContact C-O 3.47Å; V440-V479 WeakPolarHBondContact CA-O 3.32Å; R441-V479 HydrophobicContact CB-CB 4.46Å; R441-V479 PolarHBondContact N-O 3.46Å; R441-V479 PolarHBondContact O-N 3.32Å |
| 480 | L | 88.9 | Confident | 77.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120 | 170.5 | 168.7 | 68.7 | 0 | 0 | 0 | 109.8 | D406 L407 W421 L432 I439 V440 V482 Y494 | D406-L480 CarbonylContact C-O 3.47Å; D406-L480 VanDerWaalsContact CA-O 3.31Å; D406-L480 WeakPolarHBondContact CA-O 3.37Å; L407-L480 HydrophobicContact CB-CB 4.34Å; L407-L480 HydrophobicContact CD1-CD2 4.2Å; L407-L480 PolarHBondContact N-O 3.17Å; L407-L480 PolarHBondContact O-N 3.09Å; W421-L480 HydrophobicContact CB-CB 4.43Å; W421-L480 HydrophobicContact CB-CD2 4.14Å; W421-L480 HydrophobicContact CD2-CB 3.47Å; W421-L480 VanDerWaalsContact CD2-CB 3.47Å; W421-L480 HydrophobicContact CD2-CD2 3.94Å; W421-L480 HydrophobicContact CD2-CG 4.32Å; W421-L480 HydrophobicContact CE3-CB 3.95Å; W421-L480 HydrophobicContact CE3-CD2 3.76Å; W421-L480 HydrophobicContact CG-CB 3.68Å; W421-L480 HydrophobicContact CG-CD2 4.12Å; W421-L480 HydrophobicContact CG-CG 4.36Å; W421-L480 HydrophobicContact CZ2-CB 4.1Å; W421-L480 HydrophobicContact CZ3-CB 4.45Å; W421-L480 HydrophobicContact CZ3-CD2 4.48Å; L432-L480 HydrophobicContact CB-CD1 4.25Å; L432-L480 HydrophobicContact CD1-CD1 3.85Å; L432-L480 HydrophobicContact CD1-CD2 3.35Å; L432-L480 HydrophobicContact CD1-CG 4.25Å; I439-L480 CarbonylContact O-C 3.57Å; V440-L480 HydrophobicContact CG2-CD1 3.79Å; L480-V482 HydrophobicContact CD2-CG2 4.31Å; L480-V482 HydrophobicContact CG-CG2 4.16Å; L480-Y494 HydrophobicContact CD2-CD1 3.47Å; L480-Y494 VanDerWaalsContact CD2-CD1 3.47Å; L480-Y494 HydrophobicContact CD2-CE1 3.96Å; L480-Y494 HydrophobicContact CD2-CG 4.4Å |
| 481 | L | 88.3 | Confident | 79.3 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 16% | 0.157 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.5 | 172 | -80.4 | 152.6 | 0 | 0 | 0 | 109.5 | V404 M405 D406 Y438 I439 R441 | V404-L481 HydrophobicContact CG1-CD2 3.91Å; M405-L481 CarbonylContact O-C 3.52Å; M405-L481 VanDerWaalsContact O-CA 3.22Å; M405-L481 WeakPolarHBondContact O-CA 3.43Å; D406-L481 HydrophobicContact CB-CD2 3.75Å; D406-L481 HydrophobicContact CB-CG 4.24Å; Y438-L481 CarbonylContact C-O 3.59Å; Y438-L481 WeakPolarHBondContact CA-O 3.14Å; I439-L481 HydrophobicContact CB-CB 3.98Å; I439-L481 HydrophobicContact CG2-CD1 4.43Å; I439-L481 PolarHBondContact N-O 2.91Å; I439-L481 PolarHBondContact O-N 2.74Å; R441-L481 HydrophobicContact CG-CD1 4.42Å |
| 482 | V | 87.3 | Confident | 81.1 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.4 | 173.4 | -170.5 | 0 | 0 | 0 | 0 | 108.3 | V404 M405 R437 Y438 L480 V485 Y494 | V404-V482 CarbonylContact C-O 3.52Å; V404-V482 VanDerWaalsContact CA-O 3.3Å; V404-V482 WeakPolarHBondContact CA-O 3.08Å; M405-V482 HydrophobicContact CB-CB 4.35Å; M405-V482 HydrophobicContact CE-CB 3.93Å; M405-V482 HydrophobicContact CE-CG2 3.4Å; M405-V482 PolarHBondContact N-O 3.42Å; M405-V482 PolarHBondContact O-N 3.32Å; R437-V482 CarbonylContact O-C 3.44Å; Y438-V482 HydrophobicContact CD1-CB 4.32Å; Y438-V482 HydrophobicContact CD1-CG1 3.87Å; Y438-V482 HydrophobicContact CD1-CG2 3.88Å; Y438-V482 HydrophobicContact CE1-CB 4.48Å; Y438-V482 HydrophobicContact CE1-CG1 3.65Å; Y438-V482 HydrophobicContact CE1-CG2 4.15Å; L480-V482 HydrophobicContact CD2-CG2 4.31Å; L480-V482 HydrophobicContact CG-CG2 4.16Å; V482-V485 HydrophobicContact CB-CG2 4.15Å; V482-V485 HydrophobicContact CG1-CG2 4.01Å; V482-Y494 HydrophobicContact CG2-CE1 3.96Å |
| 483 | R | 86.2 | Confident | 82.9 | Confident | 130 Ų | 130 | 47.7 Ų | 47.7 | 49% | 0.491 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 139.5 | 179.5 | -67.7 | -179.4 | 169.1 | 173.2 | -0.7 | 110.8 | V404 R437 I439 | V404-R483 HydrophobicContact CG1-CG 4.29Å; V404-R483 HydrophobicContact CG2-CG 4.34Å; R437-R483 PolarHBondContact O-N 3.45Å; I439-R483 HydrophobicContact CD1-CG 4.48Å; I439-R483 VanDerWaalsContact CD1-NE 3.27Å |
| 484 | N | 84.9 | Confident | 84.6 | Confident | 81 Ų | 81 | 43.1 Ų | 43.1 | 43% | 0.433 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 55.4 | 60.7 | 178.3 | -169.9 | 28.9 | 0 | 0 | 0 | 111 | H402 S403 R437 T486 | H402-N484 WeakPolarHBondContact CA-OD1 3.15Å; H402-N484 WeakPolarHBondContact CB-OD1 3.3Å; H402-N484 PolarHBondContact ND1-OD1 3.48Å; S403-N484 PolarHBondContact O-N 2.83Å; S403-N484 VanDerWaalsContact O-N 3.14Å; R437-N484 PolarHBondContact NH1-O 2.67Å; R437-N484 VanDerWaalsContact NH1-O 3.11Å; N484-T486 PolarHBondContact O-N 2.9Å |
| 485 | V | 86.2 | Confident | 85.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -61.6 | 129.1 | -179.9 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | V399 H402 S403 M405 V482 D489 I511 V513 | V399-V485 HydrophobicContact CG1-CB 4.29Å; V399-V485 HydrophobicContact CG1-CG1 3.74Å; V399-V485 HydrophobicContact CG1-CG2 4.35Å; V399-V485 HydrophobicContact CG2-CB 4.47Å; V399-V485 HydrophobicContact CG2-CG2 4.16Å; H402-V485 PolarHBondContact N-O 3.43Å; S403-V485 PolarHBondContact O-N 3.37Å; M405-V485 HydrophobicContact CB-CG2 3.93Å; V482-V485 HydrophobicContact CB-CG2 4.15Å; V482-V485 HydrophobicContact CG1-CG2 4.01Å; V485-D489 WeakPolarHBondContact CA-OD2 3.38Å; V485-D489 HydrophobicContact CG1-CB 3.81Å; V485-I511 HydrophobicContact CG1-CD1 3.89Å; V485-V513 HydrophobicContact CG1-CG2 3.7Å | ||
| 486 | T | 85.7 | Confident | 86 | Confident | 30 Ų | 30 | 37.9 Ų | 37.9 | 18% | 0.184 | 19% | 0.185 | C | C | . | . | trans | -111.7 | 165.2 | 175.7 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | R437 N484 E488 D489 | R437-T486 PolarHBondContact NH1-OG1 3.18Å; N484-T486 PolarHBondContact O-N 2.9Å; T486-E488 PolarHBondContact O-N 2.65Å; T486-D489 PolarHBondContact N-OD2 2.96Å; T486-D489 WeakPolarHBondContact O-CB 3.33Å; T486-D489 PolarHBondContact O-N 2.95Å; T486-D489 PolarHBondContact OG1-OD2 2.75Å | ||
| 487 | T | 82.7 | Confident | 86.3 | Confident | 65 Ų | 65 | 39.6 Ų | 39.6 | 40% | 0.399 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -53.1 | -26.1 | 172 | 47.4 | 0 | 0 | 0 | 0 | 113.3 | D489 A490 V513 | T487-D489 VanDerWaalsContact C-N 3.33Å; T487-D489 PolarHBondContact O-N 3.26Å; T487-A490 PolarHBondContact O-N 3.01Å; T487-V513 HydrophobicContact CG2-CG1 4.21Å |
| 488 | E | 81.9 | Confident | 86.3 | Confident | 128 Ų | 128 | 38 Ų | 38 | 60% | 0.598 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -66.4 | -30.5 | 175.3 | -64.8 | -165.7 | 149.7 | 0 | 0 | 114.4 | T486 A490 H491 | T486-E488 PolarHBondContact O-N 2.65Å; E488-A490 PolarHBondContact O-N 2.88Å; E488-H491 WeakPolarHBondContact CA-ND1 3.12Å; E488-H491 WeakPolarHBondContact O-CB 3.46Å; E488-H491 PolarHBondContact O-N 2.91Å; E488-H491 VanDerWaalsContact O-N 3.16Å |
| 489 | D | 85 | Confident | 85.7 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -64.3 | -30.9 | 178.1 | -73.8 | -65.1 | 0 | 0 | 0 | 112.1 | W423 R437 Y438 V485 T486 T487 H491 Y494 I511 | W423-D489 PolarHBondContact NE1-O 3.16Å; R437-D489 IonicContact CZ-OD1 3.57Å; R437-D489 IonicContact CZ-OD2 3.31Å; R437-D489 VanDerWaalsContact CZ-OD2 3.27Å; R437-D489 IonicContact NH1-OD2 3.07Å; R437-D489 PolarHBondContact NH1-OD2 3.41Å; R437-D489 IonicContact NH2-OD1 3.81Å; R437-D489 PolarHBondContact NH2-OD1 2.87Å; R437-D489 IonicContact NH2-OD2 2.76Å; R437-D489 PolarHBondContact NH2-OD2 3.47Å; Y438-D489 PolarHBondContact OH-OD1 3.17Å; Y438-D489 VanDerWaalsContact OH-OD1 3.09Å; V485-D489 WeakPolarHBondContact CA-OD2 3.38Å; V485-D489 HydrophobicContact CG1-CB 3.81Å; T486-D489 PolarHBondContact N-OD2 2.96Å; T486-D489 WeakPolarHBondContact O-CB 3.33Å; T486-D489 PolarHBondContact O-N 2.95Å; T486-D489 PolarHBondContact OG1-OD2 2.75Å; T487-D489 VanDerWaalsContact C-N 3.33Å; T487-D489 PolarHBondContact O-N 3.26Å; D489-H491 VanDerWaalsContact C-N 3.27Å; D489-H491 PolarHBondContact O-N 3.09Å; D489-Y494 WeakPolarHBondContact CB-OH 3.46Å; D489-Y494 PolarHBondContact OD1-OH 2.65Å; D489-I511 HydrophobicContact CB-CD1 3.78Å |
| 490 | A | 84.7 | Confident | 84.8 | Confident | 34 Ų | 34 | 38.6 Ų | 38.6 | 28% | 0.281 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -75.8 | -8.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T487 E488 G492 I511 V513 | T487-A490 PolarHBondContact O-N 3.01Å; E488-A490 PolarHBondContact O-N 2.88Å; A490-G492 VanDerWaalsContact C-N 3.28Å; A490-G492 PolarHBondContact O-N 2.97Å; A490-I511 HydrophobicContact CB-CG1 4.11Å; A490-I511 WeakPolarHBondContact CB-O 3.32Å; A490-V513 HydrophobicContact CB-CG2 3.98Å |
| 491 | H | 83.5 | Confident | 83.8 | Confident | 98 Ų | 98 | 43.4 Ų | 43.4 | 45% | 0.454 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -76.9 | -13.1 | 179.4 | -66.4 | 152.2 | 0 | 0 | 0 | 113.7 | K425 E488 D489 | K425-H491 HydrophobicContact CD-CB 3.57Å; K425-H491 HydrophobicContact CG-CB 4.13Å; K425-H491 PolarHBondContact NZ-ND1 3.5Å; K425-H491 VanDerWaalsContact NZ-ND1 3.15Å; E488-H491 WeakPolarHBondContact CA-ND1 3.12Å; E488-H491 WeakPolarHBondContact O-CB 3.46Å; E488-H491 PolarHBondContact O-N 2.91Å; E488-H491 VanDerWaalsContact O-N 3.16Å; D489-H491 VanDerWaalsContact C-N 3.27Å; D489-H491 PolarHBondContact O-N 3.09Å |
| 492 | G | 81.4 | Confident | 82.7 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -118.9 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q424 A490 | Q424-G492 CarbonylContact O-C 3.28Å; Q424-G492 VanDerWaalsContact O-CA 3.3Å; Q424-G492 WeakPolarHBondContact O-CA 3.39Å; A490-G492 VanDerWaalsContact C-N 3.28Å; A490-G492 PolarHBondContact O-N 2.97Å |
| 493 | R | 88.5 | Confident | 81.9 | Confident | 123 Ų | 123 | 46.4 Ų | 46.4 | 46% | 0.464 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.3 | 169.3 | 67.9 | -169.4 | 72.2 | 167 | 2.1 | 110 | W423 Q424 I495 T509 V510 | W423-R493 WeakPolarHBondContact CA-O 3.47Å; Q424-R493 HydrophobicContact CB-CG 4.1Å; Q424-R493 PolarHBondContact N-O 2.81Å; Q424-R493 PolarHBondContact O-N 3.18Å; R493-I495 HydrophobicContact CG-CD1 4.16Å; R493-I495 HydrophobicContact CG-CG1 4.02Å; R493-T509 CarbonylContact C-O 3.48Å; R493-T509 VanDerWaalsContact CA-O 3.32Å; R493-T509 WeakPolarHBondContact CA-O 2.95Å; R493-V510 HydrophobicContact CB-CG1 3.96Å |
| 494 | Y | 89.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 128.5 | 170.2 | -63.1 | -93.8 | 0 | 0 | 0 | 108.6 | M405 L407 V422 W423 L432 Y438 L480 V482 D489 S508 T509 I511 | M405-Y494 HydrophobicContact CE-CD2 4.46Å; M405-Y494 HydrophobicContact CE-CE1 4.4Å; M405-Y494 HydrophobicContact CE-CE2 3.96Å; L407-Y494 HydrophobicContact CD1-CD1 4.04Å; L407-Y494 HydrophobicContact CD1-CD2 3.94Å; L407-Y494 HydrophobicContact CD1-CG 3.58Å; V422-Y494 CarbonylContact O-C 3.56Å; V422-Y494 WeakPolarHBondContact O-CA 3.43Å; W423-Y494 HydrophobicContact CB-CD1 4.16Å; W423-Y494 HydrophobicContact CB-CE1 4.19Å; W423-Y494 AromaticContact CD1-CD1 3.75Å; W423-Y494 AromaticContact CD1-CD2 3.98Å; W423-Y494 AromaticContact CD1-CE1 3.42Å; W423-Y494 VanDerWaalsContact CD1-CE1 3.42Å; W423-Y494 AromaticContact CD1-CE2 3.64Å; W423-Y494 AromaticContact CD1-CZ 3.37Å; W423-Y494 HydrophobicContact CG-CD1 4.36Å; W423-Y494 HydrophobicContact CG-CE1 4.11Å; W423-Y494 AromaticContact NE1-CE2 3.98Å; W423-Y494 AromaticContact NE1-CZ 3.82Å; L432-Y494 HydrophobicContact CD1-CD1 3.64Å; L432-Y494 HydrophobicContact CD1-CE1 3.74Å; Y438-Y494 HydrophobicContact CE1-CE1 4.32Å; L480-Y494 HydrophobicContact CD2-CD1 3.47Å; L480-Y494 VanDerWaalsContact CD2-CD1 3.47Å; L480-Y494 HydrophobicContact CD2-CE1 3.96Å; L480-Y494 HydrophobicContact CD2-CG 4.4Å; V482-Y494 HydrophobicContact CG2-CE1 3.96Å; D489-Y494 WeakPolarHBondContact CB-OH 3.46Å; D489-Y494 PolarHBondContact OD1-OH 2.65Å; Y494-S508 CarbonylContact O-C 3.48Å; Y494-S508 WeakPolarHBondContact O-CA 3Å; Y494-T509 PolarHBondContact N-O 2.82Å; Y494-T509 WeakPolarHBondContact O-CG2 3.41Å; Y494-T509 PolarHBondContact O-N 3.19Å; Y494-I511 HydrophobicContact CD2-CG2 3.79Å; Y494-I511 HydrophobicContact CE2-CD1 3.8Å; Y494-I511 HydrophobicContact CE2-CG1 3.97Å; Y494-I511 HydrophobicContact CE2-CG2 3.74Å |
| 495 | I | 88.6 | Confident | 81.4 | Confident | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.062 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 119 | -176.7 | -52.6 | 178.3 | 0 | 0 | 0 | 107.6 | W421 V422 Q424 R493 Y497 R506 V507 | W421-I495 CarbonylContact C-O 3.39Å; W421-I495 WeakPolarHBondContact CA-O 3.48Å; V422-I495 HydrophobicContact CB-CB 4.26Å; V422-I495 PolarHBondContact N-O 3.11Å; V422-I495 PolarHBondContact O-N 3.44Å; Q424-I495 HydrophobicContact CB-CD1 4.19Å; R493-I495 HydrophobicContact CG-CD1 4.16Å; R493-I495 HydrophobicContact CG-CG1 4.02Å; I495-Y497 PolarHBondContact O-N 2.8Å; I495-R506 HydrophobicContact CG2-CB 3.97Å; I495-V507 CarbonylContact C-O 3.53Å; I495-V507 WeakPolarHBondContact CA-O 3.48Å |
| 496 | C | 90.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 110.2 | 160.9 | 174.6 | 0 | 0 | 0 | 0 | 108.1 | C409 I419 W421 V498 R506 V507 | C409-C496 HydrophobicContact CB-CB 3.52Å; C409-C496 WeakPolarHBondContact CB-SG 3.45Å; C409-C496 WeakPolarHBondContact SG-CB 3.33Å; C409-C496 CovalentContact SG-SG 2Å; C409-C496 PolarHBondContact SG-SG 2.77Å; I419-C496 WeakPolarHBondContact CG2-SG 3.42Å; W421-C496 HydrophobicContact CE3-CB 4.41Å; W421-C496 HydrophobicContact CH2-CB 4.19Å; W421-C496 HydrophobicContact CZ3-CB 4.13Å; C496-V498 WeakPolarHBondContact SG-CG2 3.5Å; C496-R506 CarbonylContact O-C 3.57Å; C496-R506 WeakPolarHBondContact O-CA 3.37Å; C496-V507 PolarHBondContact N-O 2.85Å; C496-V507 PolarHBondContact O-N 3.09Å |
| 497 | Y | 86 | Confident | 81.6 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 21% | 0.208 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.6 | 174.5 | -173.7 | -90.4 | 0 | 0 | 0 | 109.2 | I419 S420 I495 A499 S504 R506 | I419-Y497 CarbonylContact C-O 3.34Å; I419-Y497 WeakPolarHBondContact CA-O 3.36Å; S420-Y497 PolarHBondContact N-O 2.88Å; S420-Y497 PolarHBondContact O-N 3.45Å; S420-Y497 PolarHBondContact OG-O 2.83Å; I495-Y497 PolarHBondContact O-N 2.8Å; Y497-A499 HydrophobicContact CD1-CB 4.45Å; Y497-A499 HydrophobicContact CE1-CB 3.78Å; Y497-S504 WeakPolarHBondContact OH-CB 3.48Å; Y497-S504 PolarHBondContact OH-OG 2.95Å; Y497-S504 VanDerWaalsContact OH-OG 3.06Å; Y497-R506 HydrophobicContact CD2-CB 3.96Å |
| 498 | V | 86.7 | Confident | 81.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131 | -174.3 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | P386 I388 A411 P417 Y418 I419 C496 S504 A505 | P386-V498 HydrophobicContact CB-CG1 3.78Å; I388-V498 HydrophobicContact CD1-CB 4.35Å; I388-V498 HydrophobicContact CD1-CG2 3.79Å; I388-V498 HydrophobicContact CG1-CB 4.1Å; I388-V498 HydrophobicContact CG1-CG2 3.59Å; A411-V498 HydrophobicContact CB-CB 4.07Å; A411-V498 HydrophobicContact CB-CG1 3.35Å; A411-V498 HydrophobicContact CB-CG2 3.8Å; P417-V498 HydrophobicContact CB-CG1 3.49Å; P417-V498 VanDerWaalsContact CB-CG1 3.49Å; P417-V498 HydrophobicContact CG-CG1 3.98Å; Y418-V498 VanDerWaalsContact O-CA 3.29Å; Y418-V498 WeakPolarHBondContact O-CA 3.4Å; I419-V498 HydrophobicContact CB-CG2 4.49Å; I419-V498 HydrophobicContact CD1-CG2 4.33Å; I419-V498 HydrophobicContact CG1-CG1 4.23Å; I419-V498 HydrophobicContact CG1-CG2 3.88Å; I419-V498 HydrophobicContact CG2-CG2 4.3Å; C496-V498 WeakPolarHBondContact SG-CG2 3.5Å; V498-S504 CarbonylContact O-C 3.6Å; V498-S504 WeakPolarHBondContact O-CA 3.45Å; V498-S504 VanDerWaalsContact O-CB 3.24Å; V498-S504 WeakPolarHBondContact O-CB 3.31Å; V498-A505 WeakPolarHBondContact CA-O 3.45Å; V498-A505 PolarHBondContact N-O 3.15Å; V498-A505 PolarHBondContact O-N 2.95Å; V498-A505 VanDerWaalsContact O-O 3.06Å |
| 499 | A | 75.1 | Confident | 82.1 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.033 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 152.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | P417 Y418 Y497 G503 | P417-A499 CarbonylContact C-O 3.58Å; P417-A499 WeakPolarHBondContact CA-O 3.38Å; P417-A499 WeakPolarHBondContact CB-O 3.35Å; Y418-A499 HydrophobicContact CD1-CB 4.36Å; Y418-A499 WeakPolarHBondContact CD1-O 3.48Å; Y418-A499 HydrophobicContact CE1-CB 3.6Å; Y418-A499 WeakPolarHBondContact CE1-O 3.44Å; Y418-A499 HydrophobicContact CE2-CB 3.88Å; Y418-A499 PolarHBondContact N-O 3.18Å; Y418-A499 PolarHBondContact O-N 3.47Å; Y418-A499 VanDerWaalsContact OH-CB 3.3Å; Y418-A499 WeakPolarHBondContact OH-CB 3.35Å; Y497-A499 HydrophobicContact CD1-CB 4.45Å; Y497-A499 HydrophobicContact CE1-CB 3.78Å; A499-G503 WeakPolarHBondContact CA-O 3.27Å |
| 500 | N | 69.6 | Low | 82.1 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | -178.4 | 162.1 | 72.5 | 12.3 | 0 | 0 | 0 | 107.6 | T384 P386 L414 P415 P417 L502 G503 | T384-N500 PolarHBondContact O-ND2 3.11Å; P386-N500 VanDerWaalsContact CD-OD1 3.25Å; P386-N500 WeakPolarHBondContact CD-OD1 3.37Å; P386-N500 HydrophobicContact CG-CB 3.9Å; P386-N500 VanDerWaalsContact CG-CG 3.44Å; P386-N500 VanDerWaalsContact CG-N 3.28Å; P386-N500 WeakPolarHBondContact CG-OD1 3.46Å; L414-N500 PolarHBondContact N-ND2 3.39Å; P415-N500 VanDerWaalsContact O-CB 3.32Å; P415-N500 WeakPolarHBondContact O-CB 3.22Å; P415-N500 PolarHBondContact O-ND2 2.9Å; P417-N500 HydrophobicContact CB-CB 4.34Å; N500-L502 PolarHBondContact O-N 3.03Å; N500-L502 WeakPolarHBondContact OD1-CA 3.11Å; N500-L502 WeakPolarHBondContact OD1-CB 3.08Å; N500-L502 PolarHBondContact OD1-N 2.86Å; N500-G503 PolarHBondContact N-O 3.13Å; N500-G503 PolarHBondContact O-N 3.33Å; N500-G503 VanDerWaalsContact O-N 3.16Å; N500-G503 PolarHBondContact OD1-N 3.21Å |
| 501 | R | 66.4 | Low | 82.2 | Confident | 102 Ų | 102 | 43.9 Ų | 43.9 | 39% | 0.385 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13.4 | -178.6 | 65.9 | -176.8 | 178.9 | 179.4 | -5.4 | 115.9 | V308 A309 E311 P415 | V308-R501 VanDerWaalsContact C-NH2 3.3Å; V308-R501 PolarHBondContact O-NH2 3.12Å; A309-R501 PolarHBondContact O-NH1 3.4Å; A309-R501 PolarHBondContact O-NH2 3.16Å; E311-R501 IonicContact OE1-CZ 2.73Å; P415-R501 HydrophobicContact CG-CG 3.84Å |
| 502 | L | 66.4 | Low | 82.2 | Confident | 65 Ų | 65 | 47.4 Ų | 47.4 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -15.9 | 176.4 | -74 | -175.3 | 0 | 0 | 0 | 114.5 | P383 T384 K385 N500 | P383-L502 HydrophobicContact CB-CD1 3.28Å; P383-L502 HydrophobicContact CB-CD2 4.1Å; P383-L502 HydrophobicContact CB-CG 3.7Å; P383-L502 HydrophobicContact CG-CD1 3.74Å; P383-L502 HydrophobicContact CG-CD2 3.83Å; P383-L502 HydrophobicContact CG-CG 4.02Å; P383-L502 WeakPolarHBondContact O-CD1 3.5Å; T384-L502 VanDerWaalsContact N-CD1 3.29Å; K385-L502 VanDerWaalsContact CE-O 3.32Å; K385-L502 WeakPolarHBondContact CE-O 3.3Å; K385-L502 HydrophobicContact CG-CB 3.77Å; K385-L502 HydrophobicContact CG-CD1 4.35Å; N500-L502 PolarHBondContact O-N 3.03Å; N500-L502 WeakPolarHBondContact OD1-CA 3.11Å; N500-L502 WeakPolarHBondContact OD1-CB 3.08Å; N500-L502 PolarHBondContact OD1-N 2.86Å |
| 503 | G | 69.6 | Low | 82.3 | Confident | 28 Ų | 28 | 48.4 Ų | 48.4 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.6 | -170.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P386 A499 N500 | P386-G503 WeakPolarHBondContact CD-O 3.45Å; P386-G503 WeakPolarHBondContact CG-O 3.43Å; A499-G503 WeakPolarHBondContact CA-O 3.27Å; N500-G503 PolarHBondContact N-O 3.13Å; N500-G503 PolarHBondContact O-N 3.33Å; N500-G503 VanDerWaalsContact O-N 3.16Å; N500-G503 PolarHBondContact OD1-N 3.21Å |
| 504 | S | 82.1 | Confident | 81.9 | Confident | 58 Ų | 58 | 47.6 Ų | 47.6 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 160.8 | -179.8 | 63 | 0 | 0 | 0 | 0 | 112.5 | Y497 V498 | Y497-S504 WeakPolarHBondContact OH-CB 3.48Å; Y497-S504 PolarHBondContact OH-OG 2.95Å; Y497-S504 VanDerWaalsContact OH-OG 3.06Å; V498-S504 CarbonylContact O-C 3.6Å; V498-S504 WeakPolarHBondContact O-CA 3.45Å; V498-S504 VanDerWaalsContact O-CB 3.24Å; V498-S504 WeakPolarHBondContact O-CB 3.31Å |
| 505 | A | 79.9 | Confident | 80.6 | Confident | 24 Ų | 24 | 50.9 Ų | 50.9 | 20% | 0.198 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 150.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | I388 V498 | I388-A505 HydrophobicContact CD1-CB 3.92Å; I388-A505 HydrophobicContact CG1-CB 3.95Å; V498-A505 WeakPolarHBondContact CA-O 3.45Å; V498-A505 PolarHBondContact N-O 3.15Å; V498-A505 PolarHBondContact O-N 2.95Å; V498-A505 VanDerWaalsContact O-O 3.06Å |
| 506 | R | 89.1 | Confident | 79 | Confident | 159 Ų | 159 | 58.6 Ų | 58.6 | 60% | 0.6 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.1 | 176.2 | 66.6 | -178.9 | 179.8 | -179.2 | -1.9 | 111.9 | I388 I495 C496 Y497 | I388-R506 VanDerWaalsContact CD1-C 3.48Å; I495-R506 HydrophobicContact CG2-CB 3.97Å; C496-R506 CarbonylContact O-C 3.57Å; C496-R506 WeakPolarHBondContact O-CA 3.37Å; Y497-R506 HydrophobicContact CD2-CB 3.96Å |
| 507 | V | 86 | Confident | 76.7 | Confident | 50 Ų | 50 | 61.8 Ų | 61.8 | 30% | 0.303 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.5 | 169.6 | 173.1 | 0 | 0 | 0 | 0 | 108.5 | I388 A391 I495 C496 | I388-V507 HydrophobicContact CB-CG2 4.28Å; I388-V507 HydrophobicContact CD1-CB 4.23Å; I388-V507 HydrophobicContact CD1-CG2 3.72Å; I388-V507 HydrophobicContact CG2-CG2 3.94Å; A391-V507 HydrophobicContact CB-CB 3.72Å; A391-V507 HydrophobicContact CB-CG1 3.49Å; A391-V507 VanDerWaalsContact CB-CG1 3.49Å; A391-V507 HydrophobicContact CB-CG2 3.98Å; I495-V507 CarbonylContact C-O 3.53Å; I495-V507 WeakPolarHBondContact CA-O 3.48Å; C496-V507 PolarHBondContact N-O 2.85Å; C496-V507 PolarHBondContact O-N 3.09Å |
| 508 | S | 86.7 | Confident | 74.5 | Confident | 59 Ų | 59 | 65.4 Ų | 65.4 | 41% | 0.413 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 144.9 | 176.6 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | Y494 | Y494-S508 CarbonylContact O-C 3.48Å; Y494-S508 WeakPolarHBondContact O-CA 3Å |
| 509 | T | 87.4 | Confident | 72.1 | Confident | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.018 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.6 | 175.9 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | P392 P393 N397 L407 R493 Y494 | P392-T509 HydrophobicContact CB-CG2 3.88Å; P392-T509 HydrophobicContact CG-CG2 3.93Å; P393-T509 WeakPolarHBondContact O-CB 3.2Å; P393-T509 PolarHBondContact O-OG1 3.09Å; N397-T509 PolarHBondContact ND2-OG1 2.99Å; L407-T509 HydrophobicContact CD1-CG2 3.95Å; L407-T509 HydrophobicContact CD2-CG2 4.32Å; R493-T509 CarbonylContact C-O 3.48Å; R493-T509 VanDerWaalsContact CA-O 3.32Å; R493-T509 WeakPolarHBondContact CA-O 2.95Å; Y494-T509 PolarHBondContact N-O 2.82Å; Y494-T509 WeakPolarHBondContact O-CG2 3.41Å; Y494-T509 PolarHBondContact O-N 3.19Å |
| 510 | V | 85.5 | Confident | 70.1 | Confident | 56 Ų | 56 | 82.1 Ų | 82.1 | 34% | 0.339 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 159 | 171.5 | -66.3 | 0 | 0 | 0 | 0 | 110.5 | A394 N397 R493 | A394-V510 WeakPolarHBondContact O-CG2 3.34Å; A394-V510 PolarHBondContact O-N 3.02Å; N397-V510 PolarHBondContact ND2-O 2.77Å; R493-V510 HydrophobicContact CB-CG1 3.96Å |
| 511 | I | 86.9 | Confident | 68.4 | Low | 6 Ų | 6 | 87.9 Ų | 87.9 | 3% | 0.031 | 48% | 0.481 | C | S | . | . | trans | -121.7 | 147.6 | -178.3 | 75.2 | 166 | 0 | 0 | 0 | 109.3 | N397 V399 M405 V485 D489 A490 Y494 | N397-I511 HydrophobicContact CB-CB 4.4Å; N397-I511 HydrophobicContact CB-CG2 4.05Å; N397-I511 CarbonylContact O-C 3.51Å; N397-I511 VanDerWaalsContact O-CA 3.26Å; N397-I511 WeakPolarHBondContact O-CA 3.34Å; V399-I511 HydrophobicContact CG1-CD1 4.31Å; M405-I511 HydrophobicContact CE-CD1 3.89Å; M405-I511 HydrophobicContact CE-CG2 3.8Å; M405-I511 HydrophobicContact SD-CB 3.93Å; M405-I511 HydrophobicContact SD-CD1 3.87Å; M405-I511 HydrophobicContact SD-CG2 3.32Å; M405-I511 WeakPolarHBondContact SD-CG2 3.29Å; V485-I511 HydrophobicContact CG1-CD1 3.89Å; D489-I511 HydrophobicContact CB-CD1 3.78Å; A490-I511 HydrophobicContact CB-CG1 4.11Å; A490-I511 WeakPolarHBondContact CB-O 3.32Å; Y494-I511 HydrophobicContact CD2-CG2 3.79Å; Y494-I511 HydrophobicContact CE2-CD1 3.8Å; Y494-I511 HydrophobicContact CE2-CG1 3.97Å; Y494-I511 HydrophobicContact CE2-CG2 3.74Å | ||
| 512 | R | 83.9 | Confident | 66.7 | Low | 172 Ų | 172 | 87.9 Ų | 87.9 | 65% | 0.649 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 125.8 | 173.2 | -72.5 | -177 | -178.8 | 162.1 | 3.5 | 109.3 | N397 S398 V399 | N397-R512 PolarHBondContact O-N 3Å; S398-R512 CarbonylContact C-O 3.4Å; S398-R512 VanDerWaalsContact CA-O 3.26Å; S398-R512 WeakPolarHBondContact CA-O 3.24Å; V399-R512 PolarHBondContact N-O 2.77Å |
| 513 | V | 83.3 | Confident | 65.1 | Low | 27 Ų | 27 | 89.9 Ų | 89.9 | 16% | 0.164 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.8 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | V399 E401 V485 T487 A490 | V399-V513 HydrophobicContact CG1-CG2 4.2Å; V399-V513 CarbonylContact O-C 3.58Å; V399-V513 VanDerWaalsContact O-CA 3.29Å; V399-V513 WeakPolarHBondContact O-CA 3.47Å; E401-V513 HydrophobicContact CB-CG1 3.63Å; E401-V513 HydrophobicContact CG-CG1 3.93Å; V485-V513 HydrophobicContact CG1-CG2 3.7Å; T487-V513 HydrophobicContact CG2-CG1 4.21Å; A490-V513 HydrophobicContact CB-CG2 3.98Å |
| 514 | L | 81.2 | Confident | 63.3 | Low | 105 Ų | 105 | 93.7 Ų | 93.7 | 55% | 0.55 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 106.8 | 175.5 | -61.2 | 174.3 | 0 | 0 | 0 | 108.4 | V399 E401 | V399-L514 PolarHBondContact O-N 2.6Å; E401-L514 PolarHBondContact N-O 2.77Å |
| 515 | S | 60.8 | Low | 61 | Low | 69 Ų | 69 | 95.9 Ų | 95.9 | 48% | 0.483 | 55% | 0.554 | S | S | . | * | trans | -84.9 | 130.6 | 169.3 | -55.3 | 0 | 0 | 0 | 0 | 109 | E401 G517 | E401-S515 PolarHBondContact OE2-OG 2.86Å; S515-G517 PolarHBondContact O-N 2.94Å | ||
| 516 | D | 55.3 | Low | 58.7 | Low | 175 Ų | 175 | 103.5 Ų | 103.5 | 94% | 0.936 | 59% | 0.585 | S | S | * | * | trans | -60.9 | 104.6 | 174.6 | -96.2 | -21.3 | 0 | 0 | 0 | 109.7 | ||||
| 517 | G | 43.5 | Very low | 55.8 | Low | 66 Ų | 66 | 104.2 Ų | 104.2 | 68% | 0.68 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 150.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S515 | S515-G517 PolarHBondContact O-N 2.94Š|
| 518 | P | 38.2 | Very low | 53.1 | Low | 129 Ų | 129 | 112.6 Ų | 112.6 | 84% | 0.838 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 148.6 | -143.1 | 33.4 | -35.3 | 0 | 0 | 0 | 114.7 | H520 | P518-H520 PolarHBondContact O-N 2.92Š|
| 519 | H | 37.9 | Very low | 50.4 | Low | 185 Ų | 185 | 117.3 Ų | 117.3 | 86% | 0.856 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 122.1 | 164.7 | -84 | -74.4 | 0 | 0 | 0 | 111.8 | ||
| 520 | H | 33.4 | Very low | 47.6 | Very low | 171 Ų | 171 | 120 Ų | 120 | 79% | 0.792 | 68% | 0.675 | S | S | * | * | trans | 4.9 | 130.5 | 151.3 | -64.5 | -77.8 | 0 | 0 | 0 | 119.6 | P518 | P518-H520 PolarHBondContact O-N 2.92Š| ||
| 521 | V | 32.8 | Very low | 45 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 83% | 0.83 | 69% | 0.693 | S | S | * | * | 171.8 | 142 | 96.5 | 167.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 522 | S | 30 | Very low | 42.1 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -51.3 | 150.8 | -176.4 | 55.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 523 | S | 34.1 | Very low | 39.7 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | 152.8 | 101.4 | 125.4 | 57.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 524 | S | 32.5 | Very low | 37.1 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | 86 | 138.1 | 85.6 | 67.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 525 | S | 32.6 | Very low | 34.7 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 70.1 | 104.6 | 172.3 | 56.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 526 | E | 30.8 | Very low | 33.4 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | 65 | 114.8 | 77.5 | -72.4 | -176 | 172 | 0 | 0 | 112.8 | |||||
| 527 | I | 30.2 | Very low | 32.2 | Very low | 174 Ų | 174 | 141 Ų | 141 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | -173.7 | 134.5 | 124.6 | -87.4 | 150.6 | 0 | 0 | 0 | 109.2 | |||||
| 528 | Y | 28.4 | Very low | 31.6 | Very low | 226 Ų | 226 | 144 Ų | 144 | 89% | 0.886 | 78% | 0.776 | S | S | * | * | trans | -75.8 | 176.6 | 179.3 | -124.5 | -106 | 0 | 0 | 0 | 112.3 | ||||
| 529 | D | 29.8 | Very low | 31 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 89.8 | 124.9 | 166.6 | -136.1 | 21.5 | 0 | 0 | 0 | 113.5 | ||||
| 530 | G | 28.3 | Very low | 30.5 | Very low | 58 Ų | 58 | 145.7 Ų | 145.7 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | cis | 124.7 | 66.9 | 23.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 531 | T | 30.9 | Very low | 30.1 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | -143 | 130.6 | 171.3 | 38.1 | 0 | 0 | 0 | 0 | 112.3 | E533 | T531-E533 PolarHBondContact OG1-OE1 2.9Š| ||
| 532 | I | 27.4 | Very low | 29.9 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | trans | -70.8 | 115.2 | 164.5 | -67.2 | 162.5 | 0 | 0 | 0 | 106.9 | ||||
| 533 | E | 33.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 63% | 0.631 | 77% | 0.767 | S | S | * | * | trans | -131.6 | 108.9 | 172.1 | -67.9 | 175.2 | -173.7 | 0 | 0 | 104.4 | T531 | T531-E533 PolarHBondContact OG1-OE1 2.9Š| ||
| 534 | N | 27.2 | Very low | 29.4 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | 41.7 | 57.8 | 54.6 | -85.1 | -6.2 | 0 | 0 | 0 | 112.2 | |||||
| 535 | E | 32.6 | Very low | 29.3 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | trans | -94.3 | 96.6 | 162.3 | -74.1 | -172.5 | 150.6 | 0 | 0 | 110 | ||||
| 536 | D | 32.9 | Very low | 29.2 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 59% | 0.594 | 78% | 0.782 | S | S | * | * | 48.4 | 108.4 | 129.3 | -59.7 | -14.6 | 0 | 0 | 0 | 117.3 | N538 | D536-N538 HydrophobicContact CB-CB 4.49Š| |||
| 537 | K | 29.3 | Very low | 29.6 | Very low | 207 Ų | 207 | 143.7 Ų | 143.7 | 90% | 0.9 | 77% | 0.769 | S | S | * | * | cis | 36.5 | 40.9 | 40 | -77.4 | -161.1 | -176.8 | -178.1 | 0 | 114.6 | ||||
| 538 | N | 30.3 | Very low | 30.9 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | trans | -89.5 | 103.1 | 152.1 | -83.9 | -40.9 | 0 | 0 | 0 | 109.6 | D536 E540 | D536-N538 HydrophobicContact CB-CB 4.49Å; N538-E540 VanDerWaalsContact C-N 3.32Å; N538-E540 PolarHBondContact O-N 2.9Å | ||
| 539 | H | 26.7 | Very low | 32.4 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | -49.1 | 96.5 | 151.6 | -90 | -78.9 | 0 | 0 | 0 | 109.2 | S541 | H539-S541 VanDerWaalsContact C-N 3.31Å; H539-S541 PolarHBondContact O-N 3.08Å | ||
| 540 | E | 27.8 | Very low | 34.1 | Very low | 169 Ų | 169 | 125.5 Ų | 125.5 | 79% | 0.79 | 70% | 0.695 | S | S | * | * | trans | -78.9 | 95.2 | 146.4 | -84.1 | -172.2 | 158.9 | 0 | 0 | 107.2 | N538 S542 | N538-E540 VanDerWaalsContact C-N 3.32Å; N538-E540 PolarHBondContact O-N 2.9Å; E540-S542 PolarHBondContact O-N 3.35Å | ||
| 541 | S | 25 | Very low | 36.2 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -63.5 | 69.8 | 148.5 | 56.3 | 0 | 0 | 0 | 0 | 108.4 | H539 | H539-S541 VanDerWaalsContact C-N 3.31Å; H539-S541 PolarHBondContact O-N 3.08Å | ||
| 542 | S | 28.2 | Very low | 38.3 | Very low | 88 Ų | 88 | 123 Ų | 123 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | trans | -90.3 | 106.1 | 165.1 | 60.7 | 0 | 0 | 0 | 0 | 106.9 | E540 | E540-S542 PolarHBondContact O-N 3.35Š| ||
| 543 | N | 26.9 | Very low | 40.5 | Very low | 144 Ų | 144 | 115.3 Ų | 115.3 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | trans | 4.2 | 121.6 | 167.6 | -78.1 | -26.7 | 0 | 0 | 0 | 116.7 | Q545 | N543-Q545 PolarHBondContact O-N 3.41Š| ||
| 544 | S | 26.1 | Very low | 42.8 | Very low | 124 Ų | 124 | 113.2 Ų | 113.2 | 87% | 0.867 | 61% | 0.614 | S | S | * | * | trans | -51 | 85.2 | 152.9 | 58 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 545 | Q | 30.3 | Very low | 45.5 | Very low | 168 Ų | 168 | 112.4 Ų | 112.4 | 79% | 0.785 | 61% | 0.605 | S | S | * | * | trans | -100.9 | 123.9 | 151.6 | -78.4 | -175.6 | -18.9 | 0 | 0 | 105.6 | N543 S547 | N543-Q545 PolarHBondContact O-N 3.41Å; Q545-S547 VanDerWaalsContact C-N 3.33Å; Q545-S547 PolarHBondContact O-N 2.81Å | ||
| 546 | T | 31.4 | Very low | 47.9 | Very low | 145 Ų | 145 | 105 Ų | 105 | 89% | 0.89 | 57% | 0.57 | S | S | * | * | trans | -48.6 | 91.4 | 175.2 | 44.3 | 0 | 0 | 0 | 0 | 110.3 | D548 | T546-D548 PolarHBondContact O-N 3.22Š| ||
| 547 | S | 38.8 | Very low | 50.3 | Low | 84 Ų | 84 | 99.7 Ų | 99.7 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | trans | -66.1 | 118.3 | 165.5 | 163.1 | 0 | 0 | 0 | 0 | 106.7 | Q545 | Q545-S547 VanDerWaalsContact C-N 3.33Å; Q545-S547 PolarHBondContact O-N 2.81Å | ||
| 548 | D | 57.2 | Low | 53 | Low | 106 Ų | 106 | 94.2 Ų | 94.2 | 57% | 0.567 | 52% | 0.52 | S | S | * | . | trans | -57.7 | 144.2 | 178.7 | -162.2 | -3.4 | 0 | 0 | 0 | 109.6 | T546 D550 D551 | T546-D548 PolarHBondContact O-N 3.22Å; D548-D550 PolarHBondContact O-N 2.02Å; D548-D551 PolarHBondContact O-N 2.84Å | ||
| 549 | G | 60.7 | Low | 55.7 | Low | 29 Ų | 29 | 92.2 Ų | 92.2 | 30% | 0.299 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.2 | -24.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | V553 Q661 | G549-V553 WeakPolarHBondContact O-CG2 3.43Å; G549-V553 PolarHBondContact O-N 3.19Å; G549-Q661 PolarHBondContact O-NE2 3.34Å |
| 550 | D | 66 | Low | 58.6 | Low | 41 Ų | 41 | 83.9 Ų | 83.9 | 22% | 0.219 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -73.8 | -33.4 | 179.8 | -69.4 | -2.3 | 0 | 0 | 0 | 113.7 | D548 V553 K554 Q661 I664 | D548-D550 PolarHBondContact O-N 2.02Å; D550-V553 PolarHBondContact O-N 3.35Å; D550-K554 WeakPolarHBondContact O-CG 3.35Å; D550-K554 PolarHBondContact O-N 2.67Å; D550-K554 VanDerWaalsContact O-N 3.08Å; D550-Q661 WeakPolarHBondContact OD1-CG 3.32Å; D550-I664 HydrophobicContact CB-CD1 4.24Å |
| 551 | D | 72 | Confident | 61.4 | Low | 85 Ų | 85 | 80.7 Ų | 80.7 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71.1 | -38 | 179.9 | -74.8 | -20.3 | 0 | 0 | 0 | 111.3 | D548 V553 K554 E555 | D548-D551 PolarHBondContact O-N 2.84Å; D551-V553 VanDerWaalsContact C-N 3.34Å; D551-V553 PolarHBondContact O-N 3.24Å; D551-K554 PolarHBondContact O-N 2.79Å; D551-K554 IonicContact OD1-NZ 3.97Å; D551-E555 PolarHBondContact O-N 2.87Å |
| 552 | L | 74.7 | Confident | 64.5 | Low | 36 Ų | 36 | 82.5 Ų | 82.5 | 19% | 0.188 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 172.6 | 177.7 | 64.1 | 0 | 0 | 0 | 111.5 | E555 I556 I618 | L552-E555 PolarHBondContact O-N 2.87Å; L552-I556 HydrophobicContact CD1-CD1 3.99Å; L552-I556 HydrophobicContact CD1-CG1 4.39Å; L552-I556 HydrophobicContact CG-CD1 3.86Å; L552-I556 WeakPolarHBondContact O-CD1 3.39Å; L552-I556 VanDerWaalsContact O-CG1 3.26Å; L552-I556 WeakPolarHBondContact O-CG1 3.49Å; L552-I556 PolarHBondContact O-N 3.44Å; L552-I556 VanDerWaalsContact O-N 3.08Å; L552-I618 HydrophobicContact CD2-CG2 4.33Å |
| 553 | V | 74 | Confident | 67.3 | Low | 4 Ų | 4 | 83.9 Ų | 83.9 | 2% | 0.024 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.4 | -44 | 179.3 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | G549 D550 D551 I556 I557 Q661 I664 I665 | G549-V553 WeakPolarHBondContact O-CG2 3.43Å; G549-V553 PolarHBondContact O-N 3.19Å; D550-V553 PolarHBondContact O-N 3.35Å; D551-V553 VanDerWaalsContact C-N 3.34Å; D551-V553 PolarHBondContact O-N 3.24Å; V553-I556 PolarHBondContact O-N 2.03Å; V553-I557 HydrophobicContact CG1-CD1 3.73Å; V553-I557 VanDerWaalsContact O-CD1 3.31Å; V553-I557 WeakPolarHBondContact O-CD1 3.07Å; V553-I557 VanDerWaalsContact O-CG1 3.23Å; V553-I557 WeakPolarHBondContact O-CG1 3.22Å; V553-I557 PolarHBondContact O-N 2.83Å; V553-I557 VanDerWaalsContact O-N 3.08Å; V553-Q661 HydrophobicContact CG2-CB 4.37Å; V553-Q661 HydrophobicContact CG2-CG 4.17Å; V553-I664 HydrophobicContact CG1-CG2 4.21Å; V553-I665 HydrophobicContact CG1-CD1 4.03Å; V553-I665 HydrophobicContact CG1-CG1 3.46Å; V553-I665 VanDerWaalsContact CG1-CG1 3.46Å |
| 554 | K | 80.8 | Confident | 70.1 | Confident | 91 Ų | 91 | 77.1 Ų | 77.1 | 40% | 0.396 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 176.2 | -70.9 | 170.8 | -170.6 | 161.2 | 0 | 112.5 | D550 D551 I556 I557 E558 I664 L668 | D550-K554 WeakPolarHBondContact O-CG 3.35Å; D550-K554 PolarHBondContact O-N 2.67Å; D550-K554 VanDerWaalsContact O-N 3.08Å; D551-K554 PolarHBondContact O-N 2.79Å; D551-K554 IonicContact OD1-NZ 3.97Å; K554-I556 VanDerWaalsContact C-N 3.35Å; K554-I556 PolarHBondContact O-N 2.84Å; K554-I557 PolarHBondContact O-N 3.2Å; K554-E558 PolarHBondContact O-N 3.44Å; K554-I664 HydrophobicContact CG-CG2 4.25Å; K554-L668 HydrophobicContact CG-CD1 3.89Å |
| 555 | E | 83.7 | Confident | 73.1 | Confident | 136 Ų | 136 | 73.1 Ų | 73.1 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 178.7 | -169.6 | -170.1 | 159.7 | 0 | 0 | 111.6 | D551 L552 I557 E558 K559 | D551-E555 PolarHBondContact O-N 2.87Å; L552-E555 PolarHBondContact O-N 2.87Å; E555-I557 PolarHBondContact O-N 3.48Å; E555-E558 PolarHBondContact O-N 3.35Å; E555-K559 WeakPolarHBondContact O-CB 3.38Å; E555-K559 PolarHBondContact O-N 3.39Å |
| 556 | I | 84 | Confident | 75.9 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 5% | 0.046 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 178 | -69.5 | 162.9 | 0 | 0 | 0 | 111.2 | L552 V553 K554 K559 A560 A611 E614 V615 I618 | L552-I556 HydrophobicContact CD1-CD1 3.99Å; L552-I556 HydrophobicContact CD1-CG1 4.39Å; L552-I556 HydrophobicContact CG-CD1 3.86Å; L552-I556 WeakPolarHBondContact O-CD1 3.39Å; L552-I556 VanDerWaalsContact O-CG1 3.26Å; L552-I556 WeakPolarHBondContact O-CG1 3.49Å; L552-I556 PolarHBondContact O-N 3.44Å; L552-I556 VanDerWaalsContact O-N 3.08Å; V553-I556 PolarHBondContact O-N 2.03Å; K554-I556 VanDerWaalsContact C-N 3.35Å; K554-I556 PolarHBondContact O-N 2.84Å; I556-K559 PolarHBondContact O-N 2.99Å; I556-A560 WeakPolarHBondContact O-CB 3.41Å; I556-A560 PolarHBondContact O-N 3.43Å; I556-A611 HydrophobicContact CG2-CB 4.49Å; I556-E614 HydrophobicContact CG1-CG 4.36Å; I556-E614 HydrophobicContact CG2-CB 3.7Å; I556-E614 HydrophobicContact CG2-CG 3.77Å; I556-V615 HydrophobicContact CB-CG2 4.32Å; I556-V615 HydrophobicContact CD1-CB 4.44Å; I556-V615 HydrophobicContact CD1-CG2 3.55Å; I556-V615 HydrophobicContact CG2-CG2 3.93Å; I556-I618 HydrophobicContact CD1-CD1 3.46Å; I556-I618 VanDerWaalsContact CD1-CD1 3.46Å; I556-I618 HydrophobicContact CG1-CD1 3.96Å |
| 557 | I | 83.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 179.8 | -64.4 | 156.8 | 0 | 0 | 0 | 110.9 | V553 K554 E555 K559 A560 R561 V607 A611 I664 I665 L668 | V553-I557 HydrophobicContact CG1-CD1 3.73Å; V553-I557 VanDerWaalsContact O-CD1 3.31Å; V553-I557 WeakPolarHBondContact O-CD1 3.07Å; V553-I557 VanDerWaalsContact O-CG1 3.23Å; V553-I557 WeakPolarHBondContact O-CG1 3.22Å; V553-I557 PolarHBondContact O-N 2.83Å; V553-I557 VanDerWaalsContact O-N 3.08Å; K554-I557 PolarHBondContact O-N 3.2Å; E555-I557 PolarHBondContact O-N 3.48Å; I557-K559 VanDerWaalsContact C-N 3.32Å; I557-K559 PolarHBondContact O-N 3.27Å; I557-A560 PolarHBondContact O-N 3.15Å; I557-R561 VanDerWaalsContact O-CB 3.27Å; I557-R561 WeakPolarHBondContact O-CB 3.41Å; I557-R561 PolarHBondContact O-N 3.02Å; I557-V607 HydrophobicContact CG2-CG1 4.26Å; I557-A611 HydrophobicContact CG1-CB 3.84Å; I557-I664 HydrophobicContact CD1-CG2 4.35Å; I557-I665 HydrophobicContact CD1-CB 4.13Å; I557-I665 HydrophobicContact CD1-CG1 3.79Å; I557-I665 HydrophobicContact CD1-CG2 4.39Å; I557-I665 HydrophobicContact CG1-CG1 4.32Å; I557-I665 HydrophobicContact CG1-CG2 4.42Å; I557-L668 HydrophobicContact CD1-CB 4.09Å; I557-L668 HydrophobicContact CD1-CD1 3.87Å; I557-L668 HydrophobicContact CG2-CB 3.86Å |
| 558 | E | 86.1 | Confident | 80.8 | Confident | 92 Ų | 92 | 57.6 Ų | 57.6 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 178.6 | -79.1 | -61.1 | 138.6 | 0 | 0 | 112.1 | K554 E555 R561 K562 | K554-E558 PolarHBondContact O-N 3.44Å; E555-E558 PolarHBondContact O-N 3.35Å; E558-R561 IonicContact OE1-NH1 3.61Å; E558-R561 PolarHBondContact OE1-NH1 3.34Å; E558-K562 WeakPolarHBondContact O-CB 3.37Å; E558-K562 PolarHBondContact O-N 3.02Å |
| 559 | K | 87.2 | Confident | 82.2 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 173.5 | -173.2 | -175.7 | 177.1 | -161.3 | 0 | 112 | E555 I556 I557 R563 E614 | E555-K559 WeakPolarHBondContact O-CB 3.38Å; E555-K559 PolarHBondContact O-N 3.39Å; I556-K559 PolarHBondContact O-N 2.99Å; I557-K559 VanDerWaalsContact C-N 3.32Å; I557-K559 PolarHBondContact O-N 3.27Å; K559-R563 WeakPolarHBondContact O-CG 3.28Å; K559-R563 PolarHBondContact O-N 3.41Å; K559-R563 VanDerWaalsContact O-N 3.16Å; K559-E614 IonicContact NZ-OE1 3.94Å; K559-E614 PolarHBondContact NZ-OE1 3.28Å |
| 560 | A | 86.3 | Confident | 83.4 | Confident | 7 Ų | 7 | 62.4 Ų | 62.4 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | I556 I557 K562 R563 I564 A610 | I556-A560 WeakPolarHBondContact O-CB 3.41Å; I556-A560 PolarHBondContact O-N 3.43Å; I557-A560 PolarHBondContact O-N 3.15Å; A560-K562 PolarHBondContact O-N 2.93Å; A560-R563 PolarHBondContact O-N 2.98Å; A560-I564 WeakPolarHBondContact O-CG1 3.3Å; A560-I564 PolarHBondContact O-N 3.41Å; A560-A610 HydrophobicContact CB-CB 4.01Å |
| 561 | R | 87.8 | Confident | 84.2 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56 | -49.5 | 176.2 | -175.4 | -178.2 | 178.7 | -171 | 5.6 | 112 | I557 E558 R563 I564 D565 V607 | I557-R561 VanDerWaalsContact O-CB 3.27Å; I557-R561 WeakPolarHBondContact O-CB 3.41Å; I557-R561 PolarHBondContact O-N 3.02Å; E558-R561 IonicContact OE1-NH1 3.61Å; E558-R561 PolarHBondContact OE1-NH1 3.34Å; R561-R563 VanDerWaalsContact C-N 3.35Å; R561-R563 PolarHBondContact O-N 3.07Å; R561-I564 PolarHBondContact O-N 2.9Å; R561-D565 WeakPolarHBondContact O-CB 3.34Å; R561-D565 PolarHBondContact O-N 2.99Å; R561-V607 HydrophobicContact CB-CG1 4.24Å; R561-V607 HydrophobicContact CB-CG2 4.42Å |
| 562 | K | 88.7 | Confident | 84.6 | Confident | 155 Ų | 155 | 57.7 Ų | 57.7 | 67% | 0.674 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.3 | -39.8 | 178.9 | -173.8 | 177.2 | -179.6 | 178.6 | 0 | 112.8 | E558 A560 T566 | E558-K562 WeakPolarHBondContact O-CB 3.37Å; E558-K562 PolarHBondContact O-N 3.02Å; A560-K562 PolarHBondContact O-N 2.93Å; K562-T566 WeakPolarHBondContact O-CB 3.11Å; K562-T566 PolarHBondContact O-N 3.21Å; K562-T566 VanDerWaalsContact O-N 3.08Å; K562-T566 PolarHBondContact O-OG1 3Å |
| 563 | R | 86.6 | Confident | 85 | Confident | 117 Ų | 117 | 59.2 Ų | 59.2 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -49.5 | 176.3 | -74.7 | 172.8 | 174.2 | 175.4 | -6.5 | 111.1 | K559 A560 R561 T566 A567 E614 | K559-R563 WeakPolarHBondContact O-CG 3.28Å; K559-R563 PolarHBondContact O-N 3.41Å; K559-R563 VanDerWaalsContact O-N 3.16Å; A560-R563 PolarHBondContact O-N 2.98Å; R561-R563 VanDerWaalsContact C-N 3.35Å; R561-R563 PolarHBondContact O-N 3.07Å; R563-T566 WeakPolarHBondContact O-CB 3.24Å; R563-T566 PolarHBondContact O-N 2.81Å; R563-A567 PolarHBondContact O-N 2.95Å; R563-E614 IonicContact NH1-OE2 3.48Å |
| 564 | I | 87.3 | Confident | 85.2 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 179.6 | -70.7 | 164.1 | 0 | 0 | 0 | 110.9 | A560 R561 T566 A567 I568 K603 E606 V607 A610 F850 | A560-I564 WeakPolarHBondContact O-CG1 3.3Å; A560-I564 PolarHBondContact O-N 3.41Å; R561-I564 PolarHBondContact O-N 2.9Å; I564-T566 PolarHBondContact O-N 2.92Å; I564-A567 PolarHBondContact O-N 3.24Å; I564-I568 HydrophobicContact CG2-CD1 3.65Å; I564-I568 HydrophobicContact CG2-CG1 4.16Å; I564-I568 VanDerWaalsContact O-CG1 3.3Å; I564-I568 WeakPolarHBondContact O-CG1 3.07Å; I564-I568 PolarHBondContact O-N 3.1Å; I564-K603 HydrophobicContact CG2-CG 4.41Å; I564-E606 VanDerWaalsContact CD1-C 3.45Å; I564-E606 HydrophobicContact CD1-CB 4.05Å; I564-E606 WeakPolarHBondContact CD1-O 3.45Å; I564-V607 HydrophobicContact CB-CG2 4.29Å; I564-V607 VanDerWaalsContact CD1-CA 3.48Å; I564-V607 HydrophobicContact CD1-CB 4.19Å; I564-V607 HydrophobicContact CD1-CG2 3.66Å; I564-V607 HydrophobicContact CG2-CG2 4.25Å; I564-A610 HydrophobicContact CD1-CB 4.03Å; I564-F850 HydrophobicContact CG1-CD1 3.97Å; I564-F850 HydrophobicContact CG1-CE1 4.27Å; I564-F850 HydrophobicContact CG1-CG 4.4Å; I564-F850 HydrophobicContact CG2-CE1 4.4Å |
| 565 | D | 88.3 | Confident | 84.8 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 21% | 0.214 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -32 | 176.9 | -83.8 | -29.6 | 0 | 0 | 0 | 112.8 | R561 R569 K603 | R561-D565 WeakPolarHBondContact O-CB 3.34Å; R561-D565 PolarHBondContact O-N 2.99Å; D565-R569 WeakPolarHBondContact O-CB 3.4Å; D565-R569 VanDerWaalsContact O-CG 3.24Å; D565-R569 WeakPolarHBondContact O-CG 3.43Å; D565-R569 PolarHBondContact O-N 3.12Å; D565-R569 PolarHBondContact O-NE 2.65Å; D565-K603 WeakPolarHBondContact OD1-CE 3.43Å; D565-K603 IonicContact OD1-NZ 2.72Å; D565-K603 PolarHBondContact OD1-NZ 3.3Å; D565-K603 IonicContact OD2-NZ 3.34Å; D565-K603 PolarHBondContact OD2-NZ 2.71Å; D565-K603 VanDerWaalsContact OD2-NZ 3.08Å |
| 566 | T | 89.2 | Confident | 84.2 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 28% | 0.282 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -70.6 | -41.1 | 173.6 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | K562 R563 I564 R569 K570 | K562-T566 WeakPolarHBondContact O-CB 3.11Å; K562-T566 PolarHBondContact O-N 3.21Å; K562-T566 VanDerWaalsContact O-N 3.08Å; K562-T566 PolarHBondContact O-OG1 3Å; R563-T566 WeakPolarHBondContact O-CB 3.24Å; R563-T566 PolarHBondContact O-N 2.81Å; I564-T566 PolarHBondContact O-N 2.92Å; T566-R569 PolarHBondContact OG1-NH2 3.4Å; T566-R569 VanDerWaalsContact OG1-NH2 3.08Å; T566-K570 WeakPolarHBondContact O-CB 3.43Å; T566-K570 WeakPolarHBondContact O-CG 3.27Å; T566-K570 PolarHBondContact O-N 3.13Å |
| 567 | A | 87.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.8 | -40.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R563 I564 K570 T571 S846 F850 | R563-A567 PolarHBondContact O-N 2.95Å; I564-A567 PolarHBondContact O-N 3.24Å; A567-K570 PolarHBondContact O-N 3.5Å; A567-T571 WeakPolarHBondContact O-CB 3.5Å; A567-T571 PolarHBondContact O-N 3.14Å; A567-T571 PolarHBondContact O-OG1 2.67Å; A567-S846 WeakPolarHBondContact CB-OG 3.35Å; A567-S846 PolarHBondContact O-OG 2.89Å; A567-F850 HydrophobicContact CB-CD1 3.86Å; A567-F850 HydrophobicContact CB-CE1 4.38Å |
| 568 | I | 86.1 | Confident | 82.5 | Confident | 22 Ų | 22 | 57.7 Ų | 57.7 | 11% | 0.113 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.5 | -49.8 | 173.6 | -63.9 | 171.8 | 0 | 0 | 0 | 110.1 | I564 K570 T571 A572 L599 K603 A845 | I564-I568 HydrophobicContact CG2-CD1 3.65Å; I564-I568 HydrophobicContact CG2-CG1 4.16Å; I564-I568 VanDerWaalsContact O-CG1 3.3Å; I564-I568 WeakPolarHBondContact O-CG1 3.07Å; I564-I568 PolarHBondContact O-N 3.1Å; I568-K570 PolarHBondContact O-N 2.71Å; I568-T571 WeakPolarHBondContact O-CB 3.34Å; I568-T571 PolarHBondContact O-N 2.84Å; I568-A572 PolarHBondContact O-N 3.48Å; I568-L599 HydrophobicContact CG2-CD1 4.47Å; I568-K603 HydrophobicContact CD1-CB 4.02Å; I568-K603 HydrophobicContact CD1-CD 3.97Å; I568-K603 HydrophobicContact CD1-CG 3.87Å; I568-A845 HydrophobicContact CD1-CB 3.74Å; I568-A845 HydrophobicContact CG1-CB 3.87Å; I568-A845 WeakPolarHBondContact CG1-O 3.43Å |
| 569 | R | 86.1 | Confident | 81.4 | Confident | 142 Ų | 142 | 56.2 Ų | 56.2 | 54% | 0.536 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.9 | -76.3 | -177.5 | -60.3 | 128.4 | -1.5 | 112 | D565 T566 T571 A572 D573 | D565-R569 WeakPolarHBondContact O-CB 3.4Å; D565-R569 VanDerWaalsContact O-CG 3.24Å; D565-R569 WeakPolarHBondContact O-CG 3.43Å; D565-R569 PolarHBondContact O-N 3.12Å; D565-R569 PolarHBondContact O-NE 2.65Å; T566-R569 PolarHBondContact OG1-NH2 3.4Å; T566-R569 VanDerWaalsContact OG1-NH2 3.08Å; R569-T571 VanDerWaalsContact C-N 3.28Å; R569-T571 PolarHBondContact O-N 3.44Å; R569-A572 PolarHBondContact O-N 3.08Å; R569-A572 VanDerWaalsContact O-N 3.14Å; R569-D573 WeakPolarHBondContact O-CB 2.92Å; R569-D573 PolarHBondContact O-N 2.91Å |
| 570 | K | 85.8 | Confident | 80.6 | Confident | 94 Ų | 94 | 56.3 Ų | 56.3 | 41% | 0.409 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.3 | -42.2 | 174.7 | -79 | -178.7 | 175.6 | -172.2 | 0 | 112.3 | T566 A567 I568 R574 D852 | T566-K570 WeakPolarHBondContact O-CB 3.43Å; T566-K570 WeakPolarHBondContact O-CG 3.27Å; T566-K570 PolarHBondContact O-N 3.13Å; A567-K570 PolarHBondContact O-N 3.5Å; I568-K570 PolarHBondContact O-N 2.71Å; K570-R574 WeakPolarHBondContact O-CB 3.32Å; K570-R574 PolarHBondContact O-N 2.96Å; K570-D852 PolarHBondContact NZ-O 3.06Å |
| 571 | T | 83.6 | Confident | 79.7 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | A567 I568 R569 R574 L575 S846 T847 S848 | A567-T571 WeakPolarHBondContact O-CB 3.5Å; A567-T571 PolarHBondContact O-N 3.14Å; A567-T571 PolarHBondContact O-OG1 2.67Å; I568-T571 WeakPolarHBondContact O-CB 3.34Å; I568-T571 PolarHBondContact O-N 2.84Å; R569-T571 VanDerWaalsContact C-N 3.28Å; R569-T571 PolarHBondContact O-N 3.44Å; T571-R574 PolarHBondContact O-N 2.76Å; T571-L575 HydrophobicContact CG2-CD1 3.98Å; T571-L575 HydrophobicContact CG2-CG 4.45Å; T571-L575 WeakPolarHBondContact O-CB 3.38Å; T571-L575 WeakPolarHBondContact O-CG 2.64Å; T571-L575 PolarHBondContact O-N 3.47Å; T571-S846 PolarHBondContact OG1-OG 3.27Å; T571-S846 VanDerWaalsContact OG1-OG 3.04Å; T571-T847 HydrophobicContact CG2-CG2 3.97Å; T571-T847 VanDerWaalsContact CG2-OG1 3.31Å; T571-T847 WeakPolarHBondContact CG2-OG1 3.23Å; T571-T847 PolarHBondContact OG1-N 2.87Å; T571-S848 PolarHBondContact OG1-OG 3.48Å |
| 572 | A | 80.8 | Confident | 79 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | I568 R569 R574 L575 R576 | I568-A572 PolarHBondContact O-N 3.48Å; R569-A572 PolarHBondContact O-N 3.08Å; R569-A572 VanDerWaalsContact O-N 3.14Å; A572-R574 PolarHBondContact O-N 3.26Å; A572-L575 PolarHBondContact O-N 3.12Å; A572-R576 VanDerWaalsContact O-CB 3.23Å; A572-R576 WeakPolarHBondContact O-CB 3.44Å; A572-R576 WeakPolarHBondContact O-CD 2.91Å; A572-R576 WeakPolarHBondContact O-CG 3.1Å; A572-R576 PolarHBondContact O-N 3.23Å |
| 573 | D | 81.8 | Confident | 78.3 | Confident | 67 Ų | 67 | 51.2 Ų | 51.2 | 36% | 0.358 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 178.5 | -64.5 | -21.5 | 0 | 0 | 0 | 110.7 | L428 R569 L575 R576 D577 | L428-D573 HydrophobicContact CD1-CB 4.06Å; R569-D573 WeakPolarHBondContact O-CB 2.92Å; R569-D573 PolarHBondContact O-N 2.91Å; D573-L575 PolarHBondContact O-N 2.77Å; D573-R576 PolarHBondContact O-N 3.11Å; D573-D577 PolarHBondContact O-N 2.77Å |
| 574 | R | 77.8 | Confident | 78 | Confident | 25 Ų | 25 | 45.6 Ų | 45.6 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | 176.1 | 173.2 | 177.9 | 161.3 | 161.8 | -5.9 | 113.5 | K570 T571 A572 D577 D586 N857 E858 | K570-R574 WeakPolarHBondContact O-CB 3.32Å; K570-R574 PolarHBondContact O-N 2.96Å; T571-R574 PolarHBondContact O-N 2.76Å; A572-R574 PolarHBondContact O-N 3.26Å; R574-D577 VanDerWaalsContact O-CB 3.23Å; R574-D577 WeakPolarHBondContact O-CB 3.23Å; R574-D577 PolarHBondContact O-N 3.31Å; R574-D586 IonicContact CZ-OD1 2.85Å; R574-D586 VanDerWaalsContact CZ-OD1 3.23Å; R574-D586 IonicContact NE-OD1 3.51Å; R574-D586 PolarHBondContact NE-OD1 2.95Å; R574-D586 IonicContact NE-OD2 3.82Å; R574-D586 IonicContact NH2-OD1 2.86Å; R574-D586 PolarHBondContact NH2-OD1 2.8Å; R574-D586 IonicContact NH2-OD2 2.91Å; R574-D586 PolarHBondContact NH2-OD2 3.03Å; R574-N857 VanDerWaalsContact CZ-OD1 3.24Å; R574-N857 PolarHBondContact NH1-OD1 2.72Å; R574-N857 PolarHBondContact NH2-ND2 2.98Å; R574-N857 PolarHBondContact NH2-OD1 2.85Å; R574-E858 IonicContact NH1-OE1 3.27Å; R574-E858 PolarHBondContact NH1-OE1 2.83Å; R574-E858 VanDerWaalsContact NH1-OE1 3.1Å |
| 575 | L | 73.9 | Confident | 77.5 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -77.3 | -33.5 | -179.7 | -70.4 | 179 | 0 | 0 | 0 | 112.3 | T571 A572 D573 D577 R582 D586 L590 Q593 | T571-L575 HydrophobicContact CG2-CD1 3.98Å; T571-L575 HydrophobicContact CG2-CG 4.45Å; T571-L575 WeakPolarHBondContact O-CB 3.38Å; T571-L575 WeakPolarHBondContact O-CG 2.64Å; T571-L575 PolarHBondContact O-N 3.47Å; A572-L575 PolarHBondContact O-N 3.12Å; D573-L575 PolarHBondContact O-N 2.77Å; L575-D577 PolarHBondContact O-N 2.86Å; L575-R582 PolarHBondContact O-NE 2.77Å; L575-D586 HydrophobicContact CD2-CB 3.92Å; L575-L590 HydrophobicContact CB-CD2 4.04Å; L575-L590 HydrophobicContact CD1-CD2 4.31Å; L575-L590 HydrophobicContact CD2-CD2 4.08Å; L575-L590 HydrophobicContact CD2-CG 4.21Å; L575-L590 HydrophobicContact CG-CD2 4.37Å; L575-Q593 HydrophobicContact CD1-CG 4.23Å |
| 576 | R | 69.6 | Low | 77 | Confident | 78 Ų | 78 | 44.5 Ų | 44.5 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -68.7 | -10 | 171.6 | -71.9 | 167.7 | -173.5 | 178.7 | 0.7 | 112.2 | L428 A572 D573 T578 Q963 | L428-R576 HydrophobicContact CD2-CB 4.3Å; L428-R576 HydrophobicContact CG-CB 4.14Å; A572-R576 VanDerWaalsContact O-CB 3.23Å; A572-R576 WeakPolarHBondContact O-CB 3.44Å; A572-R576 WeakPolarHBondContact O-CD 2.91Å; A572-R576 WeakPolarHBondContact O-CG 3.1Å; A572-R576 PolarHBondContact O-N 3.23Å; D573-R576 PolarHBondContact O-N 3.11Å; R576-T578 PolarHBondContact O-N 2.94Å; R576-Q963 HydrophobicContact CG-CB 4.2Å; R576-Q963 HydrophobicContact CG-CG 4.49Å; R576-Q963 VanDerWaalsContact NH2-CD 3.34Å |
| 577 | D | 69.4 | Low | 76.4 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 18% | 0.176 | 21% | 0.212 | C | C | . | . | trans | -69.6 | 93.2 | -173.3 | -171.9 | -27 | 0 | 0 | 0 | 113.5 | S427 D573 R574 L575 G579 R580 | S427-D577 VanDerWaalsContact CB-CB 3.42Å; S427-D577 WeakPolarHBondContact CB-OD1 3.43Å; S427-D577 WeakPolarHBondContact OG-CA 3.29Å; S427-D577 WeakPolarHBondContact OG-CB 3.1Å; S427-D577 PolarHBondContact OG-OD1 3.18Å; S427-D577 VanDerWaalsContact OG-OD1 3.11Å; S427-D577 PolarHBondContact OG-OD2 3.26Å; D573-D577 PolarHBondContact O-N 2.77Å; R574-D577 VanDerWaalsContact O-CB 3.23Å; R574-D577 WeakPolarHBondContact O-CB 3.23Å; R574-D577 PolarHBondContact O-N 3.31Å; L575-D577 PolarHBondContact O-N 2.86Å; D577-G579 VanDerWaalsContact C-N 3.27Å; D577-G579 PolarHBondContact O-N 3.28Å; D577-G579 WeakPolarHBondContact OD1-CA 3.41Å; D577-G579 PolarHBondContact OD1-N 2.79Å; D577-R580 HydrophobicContact CB-CB 4.07Å; D577-R580 WeakPolarHBondContact OD1-CA 3.42Å; D577-R580 WeakPolarHBondContact OD1-CB 3.31Å; D577-R580 PolarHBondContact OD1-N 2.76Å; D577-R580 VanDerWaalsContact OD2-CB 3.32Å; D577-R580 WeakPolarHBondContact OD2-CB 3.3Å | ||
| 578 | T | 63.3 | Low | 76 | Confident | 63 Ų | 63 | 43.8 Ų | 43.8 | 39% | 0.387 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -76.3 | -7.5 | 174.9 | 54.6 | 0 | 0 | 0 | 0 | 114.2 | Q424 S427 R576 | Q424-T578 PolarHBondContact NE2-OG1 2.92Å; S427-T578 PolarHBondContact O-N 3.22Å; S427-T578 PolarHBondContact O-OG1 2.93Å; R576-T578 PolarHBondContact O-N 2.94Å |
| 579 | G | 63 | Low | 75.6 | Confident | 61 Ų | 61 | 43.3 Ų | 43.3 | 63% | 0.629 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -92.3 | -23.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D577 | D577-G579 VanDerWaalsContact C-N 3.27Å; D577-G579 PolarHBondContact O-N 3.28Å; D577-G579 WeakPolarHBondContact OD1-CA 3.41Å; D577-G579 PolarHBondContact OD1-N 2.79Å |
| 580 | R | 69.5 | Low | 75 | Confident | 89 Ų | 89 | 37.2 Ų | 37.2 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -92.7 | 134.2 | 179.8 | 177.1 | -178.3 | 172.7 | 157.8 | 4.5 | 109.2 | D577 R582 E858 | D577-R580 HydrophobicContact CB-CB 4.07Å; D577-R580 WeakPolarHBondContact OD1-CA 3.42Å; D577-R580 WeakPolarHBondContact OD1-CB 3.31Å; D577-R580 PolarHBondContact OD1-N 2.76Å; D577-R580 VanDerWaalsContact OD2-CB 3.32Å; D577-R580 WeakPolarHBondContact OD2-CB 3.3Å; R580-R582 PolarHBondContact O-N 2.72Å; R580-R582 VanDerWaalsContact O-N 3.08Å; R580-E858 IonicContact NH1-OE1 2.67Å; R580-E858 IonicContact NH2-OE1 2.68Å; R580-E858 PolarHBondContact NH2-OE1 3.08Å |
| 581 | R | 67.9 | Low | 74.5 | Confident | 124 Ų | 124 | 33.7 Ų | 33.7 | 47% | 0.468 | 18% | 0.181 | S | C | . | . | trans | -64.2 | 112.6 | 166.6 | -172.7 | 176 | -178 | -174.5 | 2 | 108.6 | S583 A1154 | R581-S583 PolarHBondContact O-N 3.11Å; R581-A1154 WeakPolarHBondContact CG-O 3.24Å; R581-A1154 PolarHBondContact NE-O 3.36Å | ||
| 582 | R | 73.1 | Confident | 74.6 | Confident | 25 Ų | 25 | 36 Ų | 36 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | trans | -60.5 | 135.1 | 177.6 | -66.5 | -166.6 | -171.6 | 114.9 | 11.8 | 110.2 | L575 R580 D586 I587 D965 A1154 | L575-R582 PolarHBondContact O-NE 2.77Å; R580-R582 PolarHBondContact O-N 2.72Å; R580-R582 VanDerWaalsContact O-N 3.08Å; R582-D586 HydrophobicContact CB-CB 4.01Å; R582-D586 HydrophobicContact CG-CB 4.48Å; R582-I587 HydrophobicContact CB-CG1 4.38Å; R582-D965 IonicContact CZ-OD1 3.79Å; R582-D965 IonicContact CZ-OD2 2.69Å; R582-D965 PolarHBondContact NH1-O 3.43Å; R582-D965 IonicContact NH1-OD1 2.74Å; R582-D965 PolarHBondContact NH1-OD1 2.9Å; R582-D965 IonicContact NH1-OD2 3.11Å; R582-D965 PolarHBondContact NH1-OD2 2.67Å; R582-D965 IonicContact NH2-OD1 3.89Å; R582-D965 IonicContact NH2-OD2 2.68Å; R582-D965 PolarHBondContact NH2-OD2 3.04Å; R582-A1154 CarbonylContact O-C 3.22Å; R582-A1154 VanDerWaalsContact O-O 3.13Å | ||
| 583 | S | 75.1 | Confident | 74.5 | Confident | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | trans | -72.4 | 160.5 | 171.6 | 69 | 0 | 0 | 0 | 0 | 111.1 | R581 A585 D586 I587 N857 | R581-S583 PolarHBondContact O-N 3.11Å; S583-A585 PolarHBondContact O-N 2.81Å; S583-D586 VanDerWaalsContact CB-OD2 3.32Å; S583-D586 WeakPolarHBondContact CB-OD2 3.46Å; S583-D586 PolarHBondContact N-OD2 3.49Å; S583-D586 WeakPolarHBondContact O-CA 3.43Å; S583-D586 WeakPolarHBondContact O-CB 3.47Å; S583-D586 PolarHBondContact O-N 3.26Å; S583-D586 PolarHBondContact OG-N 3.41Å; S583-D586 VanDerWaalsContact OG-N 3.1Å; S583-D586 PolarHBondContact OG-OD2 2.96Å; S583-I587 PolarHBondContact O-N 3.17Å; S583-N857 PolarHBondContact OG-ND2 3.29Å | ||
| 584 | S | 78.6 | Confident | 74.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -29.3 | 172.6 | -54.8 | 0 | 0 | 0 | 0 | 111.9 | A588 F1151 L1157 L1159 | S584-A588 PolarHBondContact O-N 3.49Å; S584-F1151 PolarHBondContact OG-O 2.94Å; S584-L1157 WeakPolarHBondContact CB-O 3.41Å; S584-L1157 PolarHBondContact OG-O 3.09Å; S584-L1159 WeakPolarHBondContact O-CD1 3.28Å |
| 585 | A | 78.5 | Confident | 74.9 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 14% | 0.14 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.2 | -36.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S583 A588 S589 N857 L1159 | S583-A585 PolarHBondContact O-N 2.81Å; A585-A588 PolarHBondContact O-N 2.89Å; A585-S589 WeakPolarHBondContact O-CB 3.43Å; A585-S589 PolarHBondContact O-N 3.44Å; A585-S589 PolarHBondContact O-OG 3.48Å; A585-N857 HydrophobicContact CB-CB 4.31Å; A585-L1159 HydrophobicContact CB-CD2 4.48Å |
| 586 | D | 76.9 | Confident | 75.2 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 172.6 | -63 | -47.1 | 0 | 0 | 0 | 110 | R574 L575 R582 S583 A588 S589 L590 | R574-D586 IonicContact CZ-OD1 2.85Å; R574-D586 VanDerWaalsContact CZ-OD1 3.23Å; R574-D586 IonicContact NE-OD1 3.51Å; R574-D586 PolarHBondContact NE-OD1 2.95Å; R574-D586 IonicContact NE-OD2 3.82Å; R574-D586 IonicContact NH2-OD1 2.86Å; R574-D586 PolarHBondContact NH2-OD1 2.8Å; R574-D586 IonicContact NH2-OD2 2.91Å; R574-D586 PolarHBondContact NH2-OD2 3.03Å; L575-D586 HydrophobicContact CD2-CB 3.92Å; R582-D586 HydrophobicContact CB-CB 4.01Å; R582-D586 HydrophobicContact CG-CB 4.48Å; S583-D586 VanDerWaalsContact CB-OD2 3.32Å; S583-D586 WeakPolarHBondContact CB-OD2 3.46Å; S583-D586 PolarHBondContact N-OD2 3.49Å; S583-D586 WeakPolarHBondContact O-CA 3.43Å; S583-D586 WeakPolarHBondContact O-CB 3.47Å; S583-D586 PolarHBondContact O-N 3.26Å; S583-D586 PolarHBondContact OG-N 3.41Å; S583-D586 VanDerWaalsContact OG-N 3.1Å; S583-D586 PolarHBondContact OG-OD2 2.96Å; D586-A588 PolarHBondContact O-N 3.41Å; D586-S589 CarbonylContact O-C 3.57Å; D586-S589 WeakPolarHBondContact O-CB 3.32Å; D586-S589 PolarHBondContact O-N 2.9Å; D586-S589 VanDerWaalsContact O-N 3.14Å; D586-L590 VanDerWaalsContact O-CG 3.3Å; D586-L590 WeakPolarHBondContact O-CG 2.82Å; D586-L590 PolarHBondContact O-N 3.34Å |
| 587 | I | 76.2 | Confident | 75.9 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.051 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.1 | -50.7 | 173.8 | -62 | -148.7 | 0 | 0 | 0 | 110.9 | R582 S583 S589 L590 F591 F1110 F1151 A1154 | R582-I587 HydrophobicContact CB-CG1 4.38Å; S583-I587 PolarHBondContact O-N 3.17Å; I587-S589 PolarHBondContact O-N 3.3Å; I587-L590 WeakPolarHBondContact O-CB 3.49Å; I587-L590 PolarHBondContact O-N 3.17Å; I587-L590 VanDerWaalsContact O-N 3.09Å; I587-F591 HydrophobicContact CG2-CD2 4.26Å; I587-F591 HydrophobicContact CG2-CE2 3.97Å; I587-F591 WeakPolarHBondContact O-CD2 3.04Å; I587-F1110 HydrophobicContact CG2-CD2 3.55Å; I587-F1110 HydrophobicContact CG2-CE2 3.19Å; I587-F1110 HydrophobicContact CG2-CZ 4.05Å; I587-F1151 HydrophobicContact CB-CD2 4.36Å; I587-F1151 HydrophobicContact CG2-CB 4.31Å; I587-F1151 HydrophobicContact CG2-CD1 4.3Å; I587-F1151 HydrophobicContact CG2-CD2 3.91Å; I587-F1151 HydrophobicContact CG2-CE2 4.3Å; I587-F1151 HydrophobicContact CG2-CG 3.92Å; I587-A1154 HydrophobicContact CD1-CB 3.26Å; I587-A1154 HydrophobicContact CG1-CB 3.68Å |
| 588 | A | 79 | Confident | 76.7 | Confident | 22 Ų | 22 | 38.8 Ų | 38.8 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -33.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | S584 A585 D586 R592 F1151 L1159 | S584-A588 PolarHBondContact O-N 3.49Å; A585-A588 PolarHBondContact O-N 2.89Å; D586-A588 PolarHBondContact O-N 3.41Å; A588-R592 WeakPolarHBondContact O-CG 3.48Å; A588-F1151 HydrophobicContact CB-CD2 4.22Å; A588-F1151 HydrophobicContact CB-CE2 3.97Å; A588-L1159 HydrophobicContact CB-CD1 3.54Å |
| 589 | S | 78.7 | Confident | 77.9 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.6 | -33.1 | 175.6 | -68.2 | 0 | 0 | 0 | 0 | 112.9 | A585 D586 I587 F591 R592 Q593 T847 | A585-S589 WeakPolarHBondContact O-CB 3.43Å; A585-S589 PolarHBondContact O-N 3.44Å; A585-S589 PolarHBondContact O-OG 3.48Å; D586-S589 CarbonylContact O-C 3.57Å; D586-S589 WeakPolarHBondContact O-CB 3.32Å; D586-S589 PolarHBondContact O-N 2.9Å; D586-S589 VanDerWaalsContact O-N 3.14Å; I587-S589 PolarHBondContact O-N 3.3Å; S589-F591 PolarHBondContact O-N 3Å; S589-R592 CarbonylContact O-C 3.55Å; S589-R592 PolarHBondContact O-N 2.88Å; S589-Q593 WeakPolarHBondContact O-CG 3.29Å; S589-Q593 PolarHBondContact O-N 2.86Å; S589-Q593 PolarHBondContact O-NE2 3.48Å; S589-T847 WeakPolarHBondContact OG-CG2 3.33Å |
| 590 | L | 73.6 | Confident | 78.9 | Confident | 14 Ų | 14 | 40.3 Ų | 40.3 | 7% | 0.073 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 178.7 | -75 | 169.5 | 0 | 0 | 0 | 112.1 | L575 D586 I587 R592 Q593 V964 | L575-L590 HydrophobicContact CB-CD2 4.04Å; L575-L590 HydrophobicContact CD1-CD2 4.31Å; L575-L590 HydrophobicContact CD2-CD2 4.08Å; L575-L590 HydrophobicContact CD2-CG 4.21Å; L575-L590 HydrophobicContact CG-CD2 4.37Å; D586-L590 VanDerWaalsContact O-CG 3.3Å; D586-L590 WeakPolarHBondContact O-CG 2.82Å; D586-L590 PolarHBondContact O-N 3.34Å; I587-L590 WeakPolarHBondContact O-CB 3.49Å; I587-L590 PolarHBondContact O-N 3.17Å; I587-L590 VanDerWaalsContact O-N 3.09Å; L590-R592 VanDerWaalsContact C-N 3.27Å; L590-R592 PolarHBondContact O-N 2.73Å; L590-Q593 WeakPolarHBondContact O-CG 3.5Å; L590-Q593 PolarHBondContact O-N 2.7Å; L590-V964 HydrophobicContact CB-CG1 4.17Å; L590-V964 HydrophobicContact CD1-CG1 3.65Å; L590-V964 HydrophobicContact CD2-CB 4.37Å; L590-V964 HydrophobicContact CD2-CG1 3.88Å; L590-V964 HydrophobicContact CD2-CG2 3.68Å; L590-V964 HydrophobicContact CG-CG1 4.11Å |
| 591 | F | 74.3 | Confident | 79.6 | Confident | 20 Ų | 20 | 37.9 Ų | 37.9 | 9% | 0.088 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -2.5 | -178.7 | -60.4 | -76.9 | 0 | 0 | 0 | 113.7 | I587 S589 F840 V964 H983 R984 F1110 | I587-F591 HydrophobicContact CG2-CD2 4.26Å; I587-F591 HydrophobicContact CG2-CE2 3.97Å; I587-F591 WeakPolarHBondContact O-CD2 3.04Å; S589-F591 PolarHBondContact O-N 3Å; F591-F840 WeakPolarHBondContact O-CE2 3.45Å; F591-F840 WeakPolarHBondContact O-CZ 3.31Å; F591-V964 HydrophobicContact CZ-CG1 4.4Å; F591-H983 WeakPolarHBondContact CD1-O 3.32Å; F591-R984 HydrophobicContact CB-CG 4.38Å; F591-R984 WeakPolarHBondContact O-CG 3.03Å; F591-F1110 AromaticContact CD1-CE1 3.54Å; F591-F1110 HydrophobicContact CD1-CE1 3.54Å; F591-F1110 HydrophobicContact CD1-CZ 4.01Å; F591-F1110 HydrophobicContact CD2-CD1 4.3Å; F591-F1110 AromaticContact CD2-CE1 3.32Å; F591-F1110 HydrophobicContact CD2-CE1 3.32Å; F591-F1110 AromaticContact CD2-CE2 3.83Å; F591-F1110 HydrophobicContact CD2-CE2 3.83Å; F591-F1110 AromaticContact CD2-CZ 3Å; F591-F1110 HydrophobicContact CD2-CZ 3Å; F591-F1110 AromaticContact CE1-CD1 3.71Å; F591-F1110 HydrophobicContact CE1-CD1 3.71Å; F591-F1110 AromaticContact CE1-CE1 3.13Å; F591-F1110 HydrophobicContact CE1-CE1 3.13Å; F591-F1110 AromaticContact CE1-CZ 3.95Å; F591-F1110 HydrophobicContact CE1-CZ 3.95Å; F591-F1110 AromaticContact CE2-CD1 3.5Å; F591-F1110 HydrophobicContact CE2-CD1 3.5Å; F591-F1110 VanDerWaalsContact CE2-CD1 3.5Å; F591-F1110 HydrophobicContact CE2-CD2 4.12Å; F591-F1110 AromaticContact CE2-CE1 2.93Å; F591-F1110 HydrophobicContact CE2-CE1 2.93Å; F591-F1110 AromaticContact CE2-CE2 3.6Å; F591-F1110 HydrophobicContact CE2-CE2 3.6Å; F591-F1110 HydrophobicContact CE2-CG 4.08Å; F591-F1110 AromaticContact CE2-CZ 2.98Å; F591-F1110 HydrophobicContact CE2-CZ 2.98Å; F591-F1110 AromaticContact CG-CE1 3.65Å; F591-F1110 HydrophobicContact CG-CE1 3.65Å; F591-F1110 AromaticContact CG-CZ 3.6Å; F591-F1110 HydrophobicContact CG-CZ 3.6Å; F591-F1110 AromaticContact CZ-CD1 3.15Å; F591-F1110 HydrophobicContact CZ-CD1 3.15Å; F591-F1110 AromaticContact CZ-CE1 2.83Å; F591-F1110 HydrophobicContact CZ-CE1 2.83Å; F591-F1110 HydrophobicContact CZ-CE2 4.3Å; F591-F1110 HydrophobicContact CZ-CG 4.06Å; F591-F1110 AromaticContact CZ-CZ 3.49Å; F591-F1110 HydrophobicContact CZ-CZ 3.49Å; F591-F1110 VanDerWaalsContact CZ-CZ 3.49Å |
| 592 | R | 84.9 | Confident | 80.6 | Confident | 49 Ų | 49 | 32 Ų | 32 | 19% | 0.185 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 7 | 171.8 | -65.9 | -177.7 | 63.8 | -128.9 | -0.4 | 112 | A588 S589 L590 P842 V843 S888 R1168 | A588-R592 WeakPolarHBondContact O-CG 3.48Å; S589-R592 CarbonylContact O-C 3.55Å; S589-R592 PolarHBondContact O-N 2.88Å; L590-R592 VanDerWaalsContact C-N 3.27Å; L590-R592 PolarHBondContact O-N 2.73Å; R592-P842 CarbonylContact O-C 3.24Å; R592-P842 VanDerWaalsContact O-CA 3.27Å; R592-P842 WeakPolarHBondContact O-CA 3.37Å; R592-V843 HydrophobicContact CB-CB 4.12Å; R592-V843 HydrophobicContact CB-CG1 4.38Å; R592-V843 WeakPolarHBondContact O-CG1 3.45Å; R592-V843 PolarHBondContact O-N 2.78Å; R592-S888 PolarHBondContact NH2-OG 2.74Å; R592-R1168 VanDerWaalsContact CZ-CZ 3.41Å; R592-R1168 VanDerWaalsContact NH1-CZ 3.29Å; R592-R1168 VanDerWaalsContact NH2-NH1 3.12Å |
| 593 | Q | 79.7 | Confident | 81.4 | Confident | 47 Ų | 47 | 32.7 Ų | 32.7 | 22% | 0.22 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 134.7 | 179.2 | -75.5 | -57.2 | -66.7 | 0 | 0 | 110 | L575 S589 L590 | L575-Q593 HydrophobicContact CD1-CG 4.23Å; S589-Q593 WeakPolarHBondContact O-CG 3.29Å; S589-Q593 PolarHBondContact O-N 2.86Å; S589-Q593 PolarHBondContact O-NE2 3.48Å; L590-Q593 WeakPolarHBondContact O-CG 3.5Å; L590-Q593 PolarHBondContact O-N 2.7Å |
| 594 | P | 84.9 | Confident | 81.9 | Confident | 14 Ų | 14 | 32.7 Ų | 32.7 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -63.5 | 141.4 | 171.7 | 26.2 | -32.4 | 0 | 0 | 0 | 110.4 | A598 L599 P842 Q912 | P594-A598 HydrophobicContact CB-CB 3.65Å; P594-L599 HydrophobicContact CB-CB 4.08Å; P594-L599 HydrophobicContact CG-CB 3.91Å; P594-L599 HydrophobicContact CG-CD1 3.82Å; P594-L599 HydrophobicContact CG-CG 4.43Å; P594-P842 HydrophobicContact CB-CB 3.81Å; P594-Q912 VanDerWaalsContact CA-OE1 3.25Å |
| 595 | N | 82.4 | Confident | 82.3 | Confident | 10 Ų | 10 | 32.8 Ų | 32.8 | 5% | 0.053 | 16% | 0.163 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 172.6 | 164.7 | 69.9 | 8.1 | 0 | 0 | 0 | 109.7 | A597 A598 L599 Q912 D926 E929 | N595-A597 VanDerWaalsContact C-N 3.26Å; N595-A597 PolarHBondContact O-N 3.31Å; N595-A597 PolarHBondContact OD1-N 3.01Å; N595-A598 PolarHBondContact O-N 3.11Å; N595-A598 VanDerWaalsContact OD1-CB 3.3Å; N595-A598 WeakPolarHBondContact OD1-CB 3.49Å; N595-A598 PolarHBondContact OD1-N 3.12Å; N595-L599 WeakPolarHBondContact O-CB 3.46Å; N595-L599 PolarHBondContact O-N 3.04Å; N595-Q912 PolarHBondContact ND2-NE2 3.39Å; N595-D926 PolarHBondContact ND2-OD2 3.14Å; N595-E929 VanDerWaalsContact CB-OE1 3.27Å; N595-E929 WeakPolarHBondContact CB-OE1 3.36Å |
| 596 | R | 81.7 | Confident | 82.7 | Confident | 189 Ų | 189 | 32.4 Ų | 32.4 | 71% | 0.713 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -52.9 | -45 | -176 | -176 | 179.8 | 177.6 | -179.3 | -0.6 | 112 | L599 E600 | R596-L599 PolarHBondContact O-N 2.89Å; R596-E600 WeakPolarHBondContact O-CG 3.43Å; R596-E600 PolarHBondContact O-N 2.95Å |
| 597 | A | 83.3 | Confident | 83.1 | Confident | 38 Ų | 38 | 32.4 Ų | 32.4 | 31% | 0.314 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -68.3 | -42.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N595 L599 L601 L709 | N595-A597 VanDerWaalsContact C-N 3.26Å; N595-A597 PolarHBondContact O-N 3.31Å; N595-A597 PolarHBondContact OD1-N 3.01Å; A597-L599 VanDerWaalsContact C-N 3.33Å; A597-L599 PolarHBondContact O-N 3.36Å; A597-L601 WeakPolarHBondContact O-CG 3.44Å; A597-L601 PolarHBondContact O-N 3.49Å; A597-L709 HydrophobicContact CB-CD1 3.56Å |
| 598 | A | 86.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -34.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | P594 N595 L601 A602 L709 L910 Q912 | P594-A598 HydrophobicContact CB-CB 3.65Å; N595-A598 PolarHBondContact O-N 3.11Å; N595-A598 VanDerWaalsContact OD1-CB 3.3Å; N595-A598 WeakPolarHBondContact OD1-CB 3.49Å; N595-A598 PolarHBondContact OD1-N 3.12Å; A598-L601 PolarHBondContact O-N 2.79Å; A598-A602 VanDerWaalsContact O-CB 3.26Å; A598-A602 WeakPolarHBondContact O-CB 3.31Å; A598-A602 PolarHBondContact O-N 2.69Å; A598-L709 HydrophobicContact CB-CD2 3.68Å; A598-L910 HydrophobicContact CB-CD2 4.02Å; A598-Q912 HydrophobicContact CB-CB 4.26Å; A598-Q912 HydrophobicContact CB-CG 3.93Å |
| 599 | L | 87.6 | Confident | 83.5 | Confident | 49 Ų | 49 | 31.7 Ų | 31.7 | 26% | 0.257 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -66.5 | -44 | 179.5 | 179.3 | 62.3 | 0 | 0 | 0 | 110.8 | I568 P594 N595 R596 A597 L601 A602 K603 A845 | I568-L599 HydrophobicContact CG2-CD1 4.47Å; P594-L599 HydrophobicContact CB-CB 4.08Å; P594-L599 HydrophobicContact CG-CB 3.91Å; P594-L599 HydrophobicContact CG-CD1 3.82Å; P594-L599 HydrophobicContact CG-CG 4.43Å; N595-L599 WeakPolarHBondContact O-CB 3.46Å; N595-L599 PolarHBondContact O-N 3.04Å; R596-L599 PolarHBondContact O-N 2.89Å; A597-L599 VanDerWaalsContact C-N 3.33Å; A597-L599 PolarHBondContact O-N 3.36Å; L599-L601 VanDerWaalsContact C-N 3.34Å; L599-L601 PolarHBondContact O-N 3.1Å; L599-A602 PolarHBondContact O-N 2.99Å; L599-K603 WeakPolarHBondContact O-CB 3.14Å; L599-K603 PolarHBondContact O-N 3.36Å; L599-A845 HydrophobicContact CD1-CB 3.84Å |
| 600 | E | 85.5 | Confident | 83.7 | Confident | 106 Ų | 106 | 32.8 Ų | 32.8 | 50% | 0.495 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 176 | -66.5 | -56.9 | 148.3 | 0 | 0 | 111.4 | R596 A604 | R596-E600 WeakPolarHBondContact O-CG 3.43Å; R596-E600 PolarHBondContact O-N 2.95Å; E600-A604 VanDerWaalsContact O-CB 3.31Å; E600-A604 WeakPolarHBondContact O-CB 3.41Å; E600-A604 PolarHBondContact O-N 3.12Å |
| 601 | L | 84.6 | Confident | 84 | Confident | 38 Ų | 38 | 32.1 Ų | 32.1 | 20% | 0.199 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.3 | -44 | 176.2 | -70.9 | 174.9 | 0 | 0 | 0 | 112.8 | A597 A598 L599 A604 A605 A674 L709 L910 | A597-L601 WeakPolarHBondContact O-CG 3.44Å; A597-L601 PolarHBondContact O-N 3.49Å; A598-L601 PolarHBondContact O-N 2.79Å; L599-L601 VanDerWaalsContact C-N 3.34Å; L599-L601 PolarHBondContact O-N 3.1Å; L601-A604 PolarHBondContact O-N 3.25Å; L601-A605 WeakPolarHBondContact O-CB 3.43Å; L601-A605 PolarHBondContact O-N 2.88Å; L601-A674 HydrophobicContact CD2-CB 3.4Å; L601-A674 VanDerWaalsContact CD2-CB 3.4Å; L601-L709 HydrophobicContact CD1-CB 3.76Å; L601-L709 HydrophobicContact CD1-CD1 4.18Å; L601-L709 HydrophobicContact CD1-CD2 4.2Å; L601-L709 HydrophobicContact CD1-CG 4.28Å; L601-L910 HydrophobicContact CD1-CD1 4.49Å |
| 602 | A | 87.2 | Confident | 84.1 | Confident | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.017 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.2 | -46.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111 | A598 L599 A604 A605 E606 A845 | A598-A602 VanDerWaalsContact O-CB 3.26Å; A598-A602 WeakPolarHBondContact O-CB 3.31Å; A598-A602 PolarHBondContact O-N 2.69Å; L599-A602 PolarHBondContact O-N 2.99Å; A602-A604 VanDerWaalsContact C-N 3.35Å; A602-A604 PolarHBondContact O-N 3.1Å; A602-A605 PolarHBondContact O-N 2.91Å; A602-E606 WeakPolarHBondContact O-CG 3.24Å; A602-E606 PolarHBondContact O-N 2.76Å; A602-A845 HydrophobicContact CB-CB 4.21Å |
| 603 | K | 89.5 | Confident | 83.6 | Confident | 39 Ų | 39 | 33 Ų | 33 | 17% | 0.17 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 174.7 | 173.9 | -178.8 | 166.1 | 172.8 | 0 | 110.9 | I564 D565 I568 L599 A605 E606 V607 | I564-K603 HydrophobicContact CG2-CG 4.41Å; D565-K603 WeakPolarHBondContact OD1-CE 3.43Å; D565-K603 IonicContact OD1-NZ 2.72Å; D565-K603 PolarHBondContact OD1-NZ 3.3Å; D565-K603 IonicContact OD2-NZ 3.34Å; D565-K603 PolarHBondContact OD2-NZ 2.71Å; D565-K603 VanDerWaalsContact OD2-NZ 3.08Å; I568-K603 HydrophobicContact CD1-CB 4.02Å; I568-K603 HydrophobicContact CD1-CD 3.97Å; I568-K603 HydrophobicContact CD1-CG 3.87Å; L599-K603 WeakPolarHBondContact O-CB 3.14Å; L599-K603 PolarHBondContact O-N 3.36Å; K603-A605 VanDerWaalsContact C-N 3.32Å; K603-A605 PolarHBondContact O-N 2.9Å; K603-E606 PolarHBondContact O-N 2.81Å; K603-V607 HydrophobicContact CG-CG2 4.31Å; K603-V607 VanDerWaalsContact O-CG2 3.29Å; K603-V607 WeakPolarHBondContact O-CG2 3.5Å; K603-V607 PolarHBondContact O-N 2.77Å |
| 604 | A | 87.2 | Confident | 83.5 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 6% | 0.058 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E600 L601 A602 V607 Y608 S669 C671 | E600-A604 VanDerWaalsContact O-CB 3.31Å; E600-A604 WeakPolarHBondContact O-CB 3.41Å; E600-A604 PolarHBondContact O-N 3.12Å; L601-A604 PolarHBondContact O-N 3.25Å; A602-A604 VanDerWaalsContact C-N 3.35Å; A602-A604 PolarHBondContact O-N 3.1Å; A604-V607 PolarHBondContact O-N 3.05Å; A604-Y608 VanDerWaalsContact O-CB 3.31Å; A604-Y608 WeakPolarHBondContact O-CB 3.48Å; A604-Y608 PolarHBondContact O-N 3.3Å; A604-S669 VanDerWaalsContact CA-O 3.27Å; A604-S669 WeakPolarHBondContact CA-O 3.32Å; A604-S669 VanDerWaalsContact CB-O 3.3Å; A604-S669 WeakPolarHBondContact CB-O 3.3Å; A604-C671 PolarHBondContact O-SG 2.87Å |
| 605 | A | 86 | Confident | 83 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L601 A602 K603 Y608 E609 A890 | L601-A605 WeakPolarHBondContact O-CB 3.43Å; L601-A605 PolarHBondContact O-N 2.88Å; A602-A605 PolarHBondContact O-N 2.91Å; K603-A605 VanDerWaalsContact C-N 3.32Å; K603-A605 PolarHBondContact O-N 2.9Å; A605-Y608 WeakPolarHBondContact O-CB 3.42Å; A605-Y608 PolarHBondContact O-N 3.05Å; A605-E609 VanDerWaalsContact O-CG 3.24Å; A605-E609 WeakPolarHBondContact O-CG 3.44Å; A605-E609 PolarHBondContact O-N 2.89Å; A605-A890 WeakPolarHBondContact CB-O 3.36Å |
| 606 | E | 86.9 | Confident | 82.3 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.7 | -37.7 | 179.7 | -66.5 | -61.5 | 141.1 | 0 | 0 | 112.4 | I564 A602 K603 Y608 E609 A610 D844 F850 R907 | I564-E606 VanDerWaalsContact CD1-C 3.45Å; I564-E606 HydrophobicContact CD1-CB 4.05Å; I564-E606 WeakPolarHBondContact CD1-O 3.45Å; A602-E606 WeakPolarHBondContact O-CG 3.24Å; A602-E606 PolarHBondContact O-N 2.76Å; K603-E606 PolarHBondContact O-N 2.81Å; E606-Y608 VanDerWaalsContact C-N 3.29Å; E606-Y608 PolarHBondContact O-N 2.86Å; E606-E609 PolarHBondContact O-N 3.12Å; E606-A610 VanDerWaalsContact O-CB 3.29Å; E606-A610 WeakPolarHBondContact O-CB 3.25Å; E606-A610 PolarHBondContact O-N 3.4Å; E606-D844 VanDerWaalsContact CG-OD1 3.31Å; E606-D844 WeakPolarHBondContact CG-OD1 3.42Å; E606-F850 HydrophobicContact CB-CZ 4.41Å; E606-F850 HydrophobicContact CG-CE2 4.41Å; E606-F850 HydrophobicContact CG-CZ 4.11Å; E606-F850 WeakPolarHBondContact OE2-CE2 3.11Å; E606-R907 IonicContact OE1-CZ 3.51Å; E606-R907 IonicContact OE1-NH1 3.28Å; E606-R907 PolarHBondContact OE1-NH1 3.24Å; E606-R907 IonicContact OE1-NH2 3.27Å; E606-R907 PolarHBondContact OE1-NH2 3.38Å |
| 607 | V | 86.2 | Confident | 81.8 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | I557 R561 I564 K603 A604 A611 | I557-V607 HydrophobicContact CG2-CG1 4.26Å; R561-V607 HydrophobicContact CB-CG1 4.24Å; R561-V607 HydrophobicContact CB-CG2 4.42Å; I564-V607 HydrophobicContact CB-CG2 4.29Å; I564-V607 VanDerWaalsContact CD1-CA 3.48Å; I564-V607 HydrophobicContact CD1-CB 4.19Å; I564-V607 HydrophobicContact CD1-CG2 3.66Å; I564-V607 HydrophobicContact CG2-CG2 4.25Å; K603-V607 HydrophobicContact CG-CG2 4.31Å; K603-V607 VanDerWaalsContact O-CG2 3.29Å; K603-V607 WeakPolarHBondContact O-CG2 3.5Å; K603-V607 PolarHBondContact O-N 2.77Å; A604-V607 PolarHBondContact O-N 3.05Å; V607-A611 VanDerWaalsContact O-CB 3.26Å; V607-A611 WeakPolarHBondContact O-CB 3.29Å; V607-A611 PolarHBondContact O-N 3.46Å |
| 608 | Y | 83 | Confident | 81.3 | Confident | 6 Ų | 6 | 27 Ų | 27 | 2% | 0.024 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -48.4 | 176 | -164.1 | -113.6 | 0 | 0 | 0 | 111.6 | A604 A605 E606 A611 I612 I665 A666 S669 T897 | A604-Y608 VanDerWaalsContact O-CB 3.31Å; A604-Y608 WeakPolarHBondContact O-CB 3.48Å; A604-Y608 PolarHBondContact O-N 3.3Å; A605-Y608 WeakPolarHBondContact O-CB 3.42Å; A605-Y608 PolarHBondContact O-N 3.05Å; E606-Y608 VanDerWaalsContact C-N 3.29Å; E606-Y608 PolarHBondContact O-N 2.86Å; Y608-A611 PolarHBondContact O-N 3.17Å; Y608-I612 HydrophobicContact CD1-CD1 3.74Å; Y608-I612 HydrophobicContact CD2-CD1 4.3Å; Y608-I612 HydrophobicContact CE1-CD1 3.5Å; Y608-I612 VanDerWaalsContact CE1-CD1 3.5Å; Y608-I612 HydrophobicContact CE2-CD1 4.05Å; Y608-I612 HydrophobicContact CG-CD1 4.11Å; Y608-I612 WeakPolarHBondContact O-CD1 3.36Å; Y608-I612 WeakPolarHBondContact O-CG1 3.28Å; Y608-I612 PolarHBondContact O-N 3.22Å; Y608-I665 HydrophobicContact CD2-CB 4.38Å; Y608-I665 HydrophobicContact CD2-CG2 3.45Å; Y608-I665 VanDerWaalsContact CD2-CG2 3.45Å; Y608-I665 HydrophobicContact CE2-CB 3.95Å; Y608-I665 HydrophobicContact CE2-CG2 3.43Å; Y608-I665 VanDerWaalsContact CE2-CG2 3.43Å; Y608-I665 HydrophobicContact CG-CG2 4.48Å; Y608-A666 HydrophobicContact CE2-CB 3.96Å; Y608-S669 VanDerWaalsContact CD2-OG 3.3Å; Y608-S669 WeakPolarHBondContact CD2-OG 3.49Å; Y608-T897 HydrophobicContact CD1-CG2 3.52Å; Y608-T897 HydrophobicContact CE1-CG2 4.05Å; Y608-T897 HydrophobicContact CG-CG2 4.39Å |
| 609 | E | 80 | Confident | 80.4 | Confident | 11 Ų | 11 | 29 Ų | 29 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.4 | -51.4 | 176.4 | -57.1 | -130 | 118.1 | 0 | 0 | 111.4 | A605 E606 A611 I612 D613 S894 T897 R907 | A605-E609 VanDerWaalsContact O-CG 3.24Å; A605-E609 WeakPolarHBondContact O-CG 3.44Å; A605-E609 PolarHBondContact O-N 2.89Å; E606-E609 PolarHBondContact O-N 3.12Å; E609-A611 PolarHBondContact O-N 2.84Å; E609-I612 PolarHBondContact O-N 3.06Å; E609-D613 PolarHBondContact O-N 3.49Å; E609-S894 VanDerWaalsContact OE1-O 3.12Å; E609-T897 HydrophobicContact CB-CG2 3.86Å; E609-T897 HydrophobicContact CG-CG2 3.53Å; E609-R907 IonicContact OE2-NH1 3.35Å; E609-R907 PolarHBondContact OE2-NH1 3.48Å |
| 610 | A | 82.7 | Confident | 79.3 | Confident | 37 Ų | 37 | 32.4 Ų | 32.4 | 31% | 0.306 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.9 | -38 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A560 I564 E606 E614 | A560-A610 HydrophobicContact CB-CB 4.01Å; I564-A610 HydrophobicContact CD1-CB 4.03Å; E606-A610 VanDerWaalsContact O-CB 3.29Å; E606-A610 WeakPolarHBondContact O-CB 3.25Å; E606-A610 PolarHBondContact O-N 3.4Å; A610-E614 WeakPolarHBondContact O-CB 3.2Å; A610-E614 PolarHBondContact O-N 2.81Å; A610-E614 VanDerWaalsContact O-N 3.13Å |
| 611 | A | 81.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I556 I557 V607 Y608 E609 E614 V615 I665 | I556-A611 HydrophobicContact CG2-CB 4.49Å; I557-A611 HydrophobicContact CG1-CB 3.84Å; V607-A611 VanDerWaalsContact O-CB 3.26Å; V607-A611 WeakPolarHBondContact O-CB 3.29Å; V607-A611 PolarHBondContact O-N 3.46Å; Y608-A611 PolarHBondContact O-N 3.17Å; E609-A611 PolarHBondContact O-N 2.84Å; A611-E614 PolarHBondContact O-N 3.39Å; A611-V615 WeakPolarHBondContact O-CB 3.34Å; A611-V615 WeakPolarHBondContact O-CG2 3.49Å; A611-V615 PolarHBondContact O-N 2.92Å; A611-I665 HydrophobicContact CB-CG2 4.09Å |
| 612 | I | 76 | Confident | 77.7 | Confident | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -42.8 | -179.3 | -73.2 | 162.6 | 0 | 0 | 0 | 111.5 | Y608 E609 V615 T616 I665 T897 L900 | Y608-I612 HydrophobicContact CD1-CD1 3.74Å; Y608-I612 HydrophobicContact CD2-CD1 4.3Å; Y608-I612 HydrophobicContact CE1-CD1 3.5Å; Y608-I612 VanDerWaalsContact CE1-CD1 3.5Å; Y608-I612 HydrophobicContact CE2-CD1 4.05Å; Y608-I612 HydrophobicContact CG-CD1 4.11Å; Y608-I612 WeakPolarHBondContact O-CD1 3.36Å; Y608-I612 WeakPolarHBondContact O-CG1 3.28Å; Y608-I612 PolarHBondContact O-N 3.22Å; E609-I612 PolarHBondContact O-N 3.06Å; I612-V615 PolarHBondContact O-N 2.95Å; I612-T616 VanDerWaalsContact O-CB 3.32Å; I612-T616 WeakPolarHBondContact O-CB 3.38Å; I612-T616 PolarHBondContact O-N 3.19Å; I612-T616 PolarHBondContact O-OG1 3.33Å; I612-I665 HydrophobicContact CG1-CD1 4.49Å; I612-I665 HydrophobicContact CG1-CG2 4.35Å; I612-T897 HydrophobicContact CD1-CG2 3.66Å; I612-L900 HydrophobicContact CB-CD1 4.23Å; I612-L900 HydrophobicContact CD1-CD1 3.5Å; I612-L900 HydrophobicContact CG1-CD1 3.56Å; I612-L900 HydrophobicContact CG2-CD1 3.65Å |
| 613 | D | 74.4 | Confident | 76.4 | Confident | 81 Ų | 81 | 40.8 Ų | 40.8 | 43% | 0.433 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.3 | -42.8 | 177.9 | -75.4 | -13.5 | 0 | 0 | 0 | 111.6 | E609 T616 S617 | E609-D613 PolarHBondContact O-N 3.49Å; D613-T616 PolarHBondContact O-N 3.14Å; D613-S617 WeakPolarHBondContact O-CB 3.39Å; D613-S617 PolarHBondContact O-N 2.82Å |
| 614 | E | 77.8 | Confident | 75 | Confident | 56 Ų | 56 | 45.3 Ų | 45.3 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.8 | -44.3 | 177.7 | -172.5 | 94.4 | 160.8 | 0 | 0 | 111.3 | I556 K559 R563 A610 A611 T616 S617 I618 | I556-E614 HydrophobicContact CG1-CG 4.36Å; I556-E614 HydrophobicContact CG2-CB 3.7Å; I556-E614 HydrophobicContact CG2-CG 3.77Å; K559-E614 IonicContact NZ-OE1 3.94Å; K559-E614 PolarHBondContact NZ-OE1 3.28Å; R563-E614 IonicContact NH1-OE2 3.48Å; A610-E614 WeakPolarHBondContact O-CB 3.2Å; A610-E614 PolarHBondContact O-N 2.81Å; A610-E614 VanDerWaalsContact O-N 3.13Å; A611-E614 PolarHBondContact O-N 3.39Å; E614-T616 PolarHBondContact O-N 3.09Å; E614-S617 WeakPolarHBondContact O-CB 3.43Å; E614-S617 PolarHBondContact O-N 3.32Å; E614-I618 HydrophobicContact CG-CD1 4.01Å; E614-I618 WeakPolarHBondContact O-CG1 3.44Å; E614-I618 PolarHBondContact O-N 2.97Å |
| 615 | V | 73.5 | Confident | 73.4 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 176.1 | 169.7 | 0 | 0 | 0 | 0 | 111 | I556 A611 I612 S617 I618 L619 L657 | I556-V615 HydrophobicContact CB-CG2 4.32Å; I556-V615 HydrophobicContact CD1-CB 4.44Å; I556-V615 HydrophobicContact CD1-CG2 3.55Å; I556-V615 HydrophobicContact CG2-CG2 3.93Å; A611-V615 WeakPolarHBondContact O-CB 3.34Å; A611-V615 WeakPolarHBondContact O-CG2 3.49Å; A611-V615 PolarHBondContact O-N 2.92Å; I612-V615 PolarHBondContact O-N 2.95Å; V615-S617 VanDerWaalsContact C-N 3.34Å; V615-S617 PolarHBondContact O-N 3.33Å; V615-I618 PolarHBondContact O-N 3.02Å; V615-L619 HydrophobicContact CG1-CD1 3.5Å; V615-L619 WeakPolarHBondContact O-CB 3.34Å; V615-L619 WeakPolarHBondContact O-CD1 3.11Å; V615-L619 WeakPolarHBondContact O-CG 3.23Å; V615-L619 PolarHBondContact O-N 2.68Å; V615-L657 HydrophobicContact CG1-CD1 3.77Å; V615-L657 HydrophobicContact CG1-CD2 3.38Å; V615-L657 HydrophobicContact CG1-CG 3.93Å |
| 616 | T | 68.4 | Low | 71.6 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 15% | 0.153 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 178.6 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | I612 D613 E614 L619 R620 V655 | I612-T616 VanDerWaalsContact O-CB 3.32Å; I612-T616 WeakPolarHBondContact O-CB 3.38Å; I612-T616 PolarHBondContact O-N 3.19Å; I612-T616 PolarHBondContact O-OG1 3.33Å; D613-T616 PolarHBondContact O-N 3.14Å; E614-T616 PolarHBondContact O-N 3.09Å; T616-L619 PolarHBondContact O-N 2.73Å; T616-R620 WeakPolarHBondContact O-CB 3.2Å; T616-R620 VanDerWaalsContact O-CG 3.26Å; T616-R620 WeakPolarHBondContact O-CG 3.07Å; T616-R620 PolarHBondContact O-N 3.44Å; T616-V655 HydrophobicContact CG2-CG2 4.39Å |
| 617 | S | 71.2 | Confident | 69.4 | Low | 52 Ų | 52 | 65.9 Ų | 65.9 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | D613 E614 V615 L619 R620 Q621 | D613-S617 WeakPolarHBondContact O-CB 3.39Å; D613-S617 PolarHBondContact O-N 2.82Å; E614-S617 WeakPolarHBondContact O-CB 3.43Å; E614-S617 PolarHBondContact O-N 3.32Å; V615-S617 VanDerWaalsContact C-N 3.34Å; V615-S617 PolarHBondContact O-N 3.33Å; S617-L619 PolarHBondContact O-N 2.55Å; S617-R620 PolarHBondContact O-N 2.79Å; S617-Q621 VanDerWaalsContact O-CG 3.31Å; S617-Q621 WeakPolarHBondContact O-CG 3.44Å; S617-Q621 PolarHBondContact O-N 3.48Å |
| 618 | I | 72.8 | Confident | 67.4 | Low | 37 Ų | 37 | 73.2 Ų | 73.2 | 19% | 0.19 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 178.9 | -70.5 | 164.1 | 0 | 0 | 0 | 111.2 | L552 I556 E614 V615 Q621 R622 | L552-I618 HydrophobicContact CD2-CG2 4.33Å; I556-I618 HydrophobicContact CD1-CD1 3.46Å; I556-I618 VanDerWaalsContact CD1-CD1 3.46Å; I556-I618 HydrophobicContact CG1-CD1 3.96Å; E614-I618 HydrophobicContact CG-CD1 4.01Å; E614-I618 WeakPolarHBondContact O-CG1 3.44Å; E614-I618 PolarHBondContact O-N 2.97Å; V615-I618 PolarHBondContact O-N 3.02Å; I618-Q621 PolarHBondContact O-N 3.48Å; I618-R622 PolarHBondContact O-N 3.35Å |
| 619 | L | 66 | Low | 65.5 | Low | 42 Ų | 42 | 81.6 Ų | 81.6 | 22% | 0.22 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.4 | -35.9 | -177.8 | -70.2 | 163.3 | 0 | 0 | 0 | 111.8 | V615 T616 S617 Q621 R622 N623 V655 L657 | V615-L619 HydrophobicContact CG1-CD1 3.5Å; V615-L619 WeakPolarHBondContact O-CB 3.34Å; V615-L619 WeakPolarHBondContact O-CD1 3.11Å; V615-L619 WeakPolarHBondContact O-CG 3.23Å; V615-L619 PolarHBondContact O-N 2.68Å; T616-L619 PolarHBondContact O-N 2.73Å; S617-L619 PolarHBondContact O-N 2.55Å; L619-Q621 PolarHBondContact O-N 2.76Å; L619-R622 PolarHBondContact O-N 3.41Å; L619-N623 PolarHBondContact O-N 3.4Å; L619-V655 HydrophobicContact CB-CB 4.02Å; L619-V655 HydrophobicContact CB-CG1 3.35Å; L619-V655 HydrophobicContact CB-CG2 3.35Å; L619-V655 HydrophobicContact CD1-CB 4.48Å; L619-V655 HydrophobicContact CD1-CG1 3.08Å; L619-V655 HydrophobicContact CG-CG1 3.73Å; L619-L657 HydrophobicContact CD1-CD2 4.16Å |
| 620 | R | 65.2 | Low | 63.6 | Low | 119 Ų | 119 | 87.6 Ų | 87.6 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.8 | -44.4 | 168.1 | -77 | 173.1 | 172.2 | -179.1 | -6.7 | 112.3 | T616 S617 N623 Q624 V655 | T616-R620 WeakPolarHBondContact O-CB 3.2Å; T616-R620 VanDerWaalsContact O-CG 3.26Å; T616-R620 WeakPolarHBondContact O-CG 3.07Å; T616-R620 PolarHBondContact O-N 3.44Å; S617-R620 PolarHBondContact O-N 2.79Å; R620-N623 PolarHBondContact O-N 2.88Å; R620-Q624 PolarHBondContact O-N 3.19Å; R620-V655 HydrophobicContact CG-CG2 4.32Å |
| 621 | Q | 69.1 | Low | 61.4 | Low | 109 Ų | 109 | 94.1 Ų | 94.1 | 51% | 0.509 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.1 | -38 | 177.4 | -70.8 | 173.6 | 21 | 0 | 0 | 112.6 | S617 I618 L619 K625 | S617-Q621 VanDerWaalsContact O-CG 3.31Å; S617-Q621 WeakPolarHBondContact O-CG 3.44Å; S617-Q621 PolarHBondContact O-N 3.48Å; I618-Q621 PolarHBondContact O-N 3.48Å; L619-Q621 PolarHBondContact O-N 2.76Å; Q621-K625 PolarHBondContact O-N 3.34Å; Q621-K625 VanDerWaalsContact O-N 3.16Å |
| 622 | R | 67.8 | Low | 59.2 | Low | 136 Ų | 136 | 99.8 Ų | 99.8 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 175.3 | -79 | -177.6 | 172.8 | 174.5 | -1.8 | 111.8 | I618 L619 K625 H626 | I618-R622 PolarHBondContact O-N 3.35Å; L619-R622 PolarHBondContact O-N 3.41Å; R622-K625 PolarHBondContact O-N 3.48Å; R622-H626 PolarHBondContact O-N 3.22Å |
| 623 | N | 59.5 | Low | 57.4 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69 | -36.6 | 179.4 | -73.1 | -15.6 | 0 | 0 | 0 | 112.6 | L619 R620 H626 F627 G654 | L619-N623 PolarHBondContact O-N 3.4Å; R620-N623 PolarHBondContact O-N 2.88Å; N623-H626 PolarHBondContact O-N 2.94Å; N623-F627 PolarHBondContact O-N 3.46Å; N623-G654 PolarHBondContact ND2-O 3.47Å |
| 624 | Q | 59.5 | Low | 55.6 | Low | 135 Ų | 135 | 108.6 Ų | 108.6 | 63% | 0.631 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -42.7 | 172.1 | -78.6 | 179.8 | -16 | 0 | 0 | 112.2 | R620 H626 F627 E628 | R620-Q624 PolarHBondContact O-N 3.19Å; Q624-H626 VanDerWaalsContact C-N 3.34Å; Q624-H626 PolarHBondContact O-N 2.02Å; Q624-F627 PolarHBondContact O-N 2.79Å; Q624-F627 VanDerWaalsContact O-N 3.14Å; Q624-E628 PolarHBondContact O-N 2.88Å; Q624-E628 VanDerWaalsContact O-N 3.08Å |
| 625 | K | 53.6 | Low | 53.5 | Low | 156 Ų | 156 | 114.3 Ų | 114.3 | 68% | 0.678 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.6 | -34.2 | 175.3 | -77.1 | -176.5 | 176.6 | -179.2 | 0 | 113.2 | Q621 R622 F627 F629 | Q621-K625 PolarHBondContact O-N 3.34Å; Q621-K625 VanDerWaalsContact O-N 3.16Å; R622-K625 PolarHBondContact O-N 3.48Å; K625-F627 VanDerWaalsContact C-N 3.34Å; K625-F629 PolarHBondContact O-N 3.07Å |
| 626 | H | 48.7 | Very low | 51.7 | Low | 137 Ų | 137 | 119 Ų | 119 | 63% | 0.634 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70 | -29.8 | 172.7 | -89 | -37.3 | 0 | 0 | 0 | 113.2 | R622 N623 Q624 | R622-H626 PolarHBondContact O-N 3.22Å; N623-H626 PolarHBondContact O-N 2.94Å; Q624-H626 VanDerWaalsContact C-N 3.34Å; Q624-H626 PolarHBondContact O-N 2.02Å |
| 627 | F | 41.5 | Very low | 49.9 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 68% | 0.684 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -77.3 | -28.2 | 176.7 | -122.4 | -89.4 | 0 | 0 | 0 | 113.6 | N623 Q624 K625 | N623-F627 PolarHBondContact O-N 3.46Å; Q624-F627 PolarHBondContact O-N 2.79Å; Q624-F627 VanDerWaalsContact O-N 3.14Å; K625-F627 VanDerWaalsContact C-N 3.34Å |
| 628 | E | 43.4 | Very low | 48.2 | Very low | 156 Ų | 156 | 131.2 Ų | 131.2 | 73% | 0.729 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75.7 | -24.5 | 174.7 | -74.9 | -176.4 | 162.3 | 0 | 0 | 113.2 | Q624 | Q624-E628 PolarHBondContact O-N 2.88Å; Q624-E628 VanDerWaalsContact O-N 3.08Å |
| 629 | F | 43.7 | Very low | 46.5 | Very low | 182 Ų | 182 | 138.7 Ų | 138.7 | 80% | 0.798 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82.4 | -15.2 | 179 | -128.8 | -91.1 | 0 | 0 | 0 | 114.3 | K625 | K625-F629 PolarHBondContact O-N 3.07Å |
| 630 | N | 39.7 | Very low | 44.8 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 73% | 0.733 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 10.4 | -178.6 | -79.7 | -10.8 | 0 | 0 | 0 | 114.2 | T632 | N630-T632 PolarHBondContact O-N 3.46Š|
| 631 | K | 36.5 | Very low | 43.1 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 76% | 0.757 | 72% | 0.72 | S | S | * | * | trans | -89.3 | 72.4 | 173.3 | -82 | -175.9 | 175.4 | 177.8 | 0 | 111.6 | ||||
| 632 | T | 34.1 | Very low | 41.2 | Very low | 119 Ų | 119 | 154.6 Ų | 154.6 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | trans | -132.8 | 127.7 | 156.3 | 42.8 | 0 | 0 | 0 | 0 | 108.8 | N630 | N630-T632 PolarHBondContact O-N 3.46Š| ||
| 633 | D | 39.9 | Very low | 39.6 | Very low | 147 Ų | 147 | 154.8 Ų | 154.8 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 87.4 | 98.1 | 169.1 | -59 | -22.6 | 0 | 0 | 0 | 120.3 | ||
| 634 | T | 36.3 | Very low | 38.5 | Very low | 125 Ų | 125 | 160.5 Ų | 160.5 | 77% | 0.767 | 78% | 0.776 | S | S | * | * | trans | 45.8 | 116.8 | 132.8 | 54.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 635 | M | 34.2 | Very low | 37.3 | Very low | 175 Ų | 175 | 158.8 Ų | 158.8 | 86% | 0.862 | 77% | 0.774 | S | S | * | * | 172.4 | 160.8 | 124.8 | -90.1 | -93.2 | 93.3 | 0 | 0 | 111.3 | |||||
| 636 | P | 35.1 | Very low | 36.8 | Very low | 102 Ų | 102 | 155.5 Ų | 155.5 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | trans | -111.8 | 172.9 | -133.2 | 40.6 | -31.4 | 0 | 0 | 0 | 115.7 | E638 | P636-E638 PolarHBondContact O-N 3.08Š| ||
| 637 | D | 30.2 | Very low | 36.3 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | -45.9 | 121.1 | 172.6 | -69.7 | -41.9 | 0 | 0 | 0 | 114 | ||||
| 638 | E | 36 | Very low | 36.4 | Very low | 175 Ų | 175 | 149 Ų | 149 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -178 | 142.1 | 143.2 | -105.6 | 169.9 | -170.4 | 0 | 0 | 110.3 | P636 | P636-E638 PolarHBondContact O-N 3.08Š| ||
| 639 | F | 35.9 | Very low | 36.5 | Very low | 194 Ų | 194 | 143 Ų | 143 | 85% | 0.851 | 72% | 0.721 | S | S | * | * | trans | 104.5 | 97.3 | 173 | -70.7 | -86.6 | 0 | 0 | 0 | 119.4 | ||||
| 640 | E | 30.1 | Very low | 36.6 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | trans | -47.8 | 139.1 | 155.2 | -61 | 169.3 | 141 | 0 | 0 | 114 | ||||
| 641 | E | 30.2 | Very low | 36.7 | Very low | 182 Ų | 182 | 142.5 Ų | 142.5 | 85% | 0.85 | 72% | 0.715 | S | S | * | * | trans | 154.5 | 95.3 | 130.4 | -160.5 | 161.5 | -149.8 | 0 | 0 | 108.2 | D643 | E641-D643 PolarHBondContact O-N 3.34Š| ||
| 642 | Y | 29.8 | Very low | 36.9 | Very low | 236 Ų | 236 | 137.2 Ų | 137.2 | 93% | 0.925 | 70% | 0.698 | S | S | * | * | trans | -81.2 | 94.4 | 179.8 | -93.2 | -93.7 | 0 | 0 | 0 | 109.8 | ||||
| 643 | D | 34 | Very low | 37.3 | Very low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -68.5 | 128.6 | 153.4 | -82 | -32.8 | 0 | 0 | 0 | 108.3 | E641 V645 | E641-D643 PolarHBondContact O-N 3.34Å; D643-V645 VanDerWaalsContact C-N 3.32Å; D643-V645 PolarHBondContact O-N 3.31Å | ||
| 644 | E | 35.7 | Very low | 37.4 | Very low | 198 Ų | 198 | 127.8 Ų | 127.8 | 93% | 0.925 | 65% | 0.651 | S | S | * | * | trans | -60 | 92.7 | 172.8 | -79 | -175.7 | 154.6 | 0 | 0 | 109.5 | D646 | E644-D646 PolarHBondContact O-N 2.9Å; E644-D646 VanDerWaalsContact O-N 3.16Å | ||
| 645 | V | 35.7 | Very low | 38.1 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 60% | 0.6 | 62% | 0.623 | S | S | * | * | trans | -61.2 | 118.1 | 172.9 | -177 | 0 | 0 | 0 | 0 | 108.1 | D643 P647 T652 | D643-V645 VanDerWaalsContact C-N 3.32Å; D643-V645 PolarHBondContact O-N 3.31Å; V645-P647 WeakPolarHBondContact O-CD 3.46Å; V645-P647 VanDerWaalsContact O-N 3.11Å; V645-T652 HydrophobicContact CG1-CG2 3.58Å | ||
| 646 | D | 41.8 | Very low | 39 | Very low | 86 Ų | 86 | 122.3 Ų | 122.3 | 46% | 0.46 | 62% | 0.617 | S | S | . | * | trans | -52.1 | 117.4 | 177.2 | 177.1 | 5.8 | 0 | 0 | 0 | 109.4 | E644 N648 S649 T652 | E644-D646 PolarHBondContact O-N 2.9Å; E644-D646 VanDerWaalsContact O-N 3.16Å; D646-N648 PolarHBondContact O-N 3.41Å; D646-N648 WeakPolarHBondContact OD1-CB 3.33Å; D646-N648 PolarHBondContact OD1-N 3Å; D646-S649 WeakPolarHBondContact O-CB 3.32Å; D646-S649 PolarHBondContact O-N 2.8Å; D646-T652 PolarHBondContact O-OG1 3.05Å | ||
| 647 | P | 38.4 | Very low | 40.3 | Very low | 96 Ų | 96 | 118.1 Ų | 118.1 | 62% | 0.623 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -8.1 | 179.1 | 24.3 | -32.2 | 0 | 0 | 0 | 113.2 | V645 | V645-P647 WeakPolarHBondContact O-CD 3.46Å; V645-P647 VanDerWaalsContact O-N 3.11Å |
| 648 | N | 44 | Very low | 42 | Very low | 62 Ų | 62 | 114.1 Ų | 114.1 | 33% | 0.332 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.8 | 9.5 | 175.1 | -60.3 | -38.6 | 0 | 0 | 0 | 113.7 | D646 N722 | D646-N648 PolarHBondContact O-N 3.41Å; D646-N648 WeakPolarHBondContact OD1-CB 3.33Å; D646-N648 PolarHBondContact OD1-N 3Å; N648-N722 PolarHBondContact ND2-O 3.21Å |
| 649 | S | 45.8 | Very low | 43.4 | Very low | 28 Ų | 28 | 111.4 Ų | 111.4 | 20% | 0.196 | 56% | 0.563 | C | S | . | * | S | Bend | trans | -67.1 | 151.6 | 174.9 | 100.8 | 0 | 0 | 0 | 0 | 111.1 | D646 D651 T652 L653 | D646-S649 WeakPolarHBondContact O-CB 3.32Å; D646-S649 PolarHBondContact O-N 2.8Å; S649-D651 PolarHBondContact O-N 3.1Å; S649-D651 VanDerWaalsContact O-N 3.14Å; S649-D651 PolarHBondContact OG-N 3.5Å; S649-T652 WeakPolarHBondContact CB-OG1 3.36Å; S649-T652 PolarHBondContact N-OG1 2.64Å; S649-T652 PolarHBondContact O-N 3.45Å; S649-T652 PolarHBondContact O-OG1 2.95Å; S649-T652 VanDerWaalsContact O-OG1 3.09Å; S649-T652 PolarHBondContact OG-N 3.33Å; S649-T652 PolarHBondContact OG-OG1 2.93Å; S649-L653 PolarHBondContact O-N 3.49Å |
| 650 | R | 45.4 | Very low | 44.9 | Very low | 159 Ų | 159 | 107.4 Ų | 107.4 | 60% | 0.6 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -54 | -32.7 | 176.2 | -83.3 | 179.5 | 81.4 | 130.7 | -2.9 | 111.7 | E656 | R650-E656 IonicContact CZ-OE1 3.87Å; R650-E656 IonicContact NH2-OE1 2.84Å; R650-E656 PolarHBondContact NH2-OE1 2.89Å |
| 651 | D | 40.9 | Very low | 46.7 | Very low | 151 Ų | 151 | 99.8 Ų | 99.8 | 81% | 0.807 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -79.4 | -31.4 | -175.3 | -59.5 | -31.6 | 0 | 0 | 0 | 112.3 | S649 | S649-D651 PolarHBondContact O-N 3.1Å; S649-D651 VanDerWaalsContact O-N 3.14Å; S649-D651 PolarHBondContact OG-N 3.5Å |
| 652 | T | 42 | Very low | 48.4 | Very low | 63 Ų | 63 | 92.3 Ų | 92.3 | 39% | 0.387 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -80.7 | -23.6 | 176.1 | 24.6 | 0 | 0 | 0 | 0 | 113.7 | V645 D646 S649 | V645-T652 HydrophobicContact CG1-CG2 3.58Å; D646-T652 PolarHBondContact O-OG1 3.05Å; S649-T652 WeakPolarHBondContact CB-OG1 3.36Å; S649-T652 PolarHBondContact N-OG1 2.64Å; S649-T652 PolarHBondContact O-N 3.45Å; S649-T652 PolarHBondContact O-OG1 2.95Å; S649-T652 VanDerWaalsContact O-OG1 3.09Å; S649-T652 PolarHBondContact OG-N 3.33Å; S649-T652 PolarHBondContact OG-OG1 2.93Å |
| 653 | L | 43 | Very low | 50.4 | Low | 29 Ų | 29 | 83.6 Ų | 83.6 | 15% | 0.152 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -77.1 | -22 | 177.6 | -82.1 | 156.2 | 0 | 0 | 0 | 113.4 | S649 V655 I899 | S649-L653 PolarHBondContact O-N 3.49Å; L653-V655 VanDerWaalsContact C-N 3.28Å; L653-V655 WeakPolarHBondContact O-CG2 3.49Å; L653-V655 PolarHBondContact O-N 3.37Å; L653-I899 HydrophobicContact CD1-CD1 3.97Å |
| 654 | G | 40.6 | Very low | 52.2 | Low | 38 Ų | 38 | 78.3 Ų | 78.3 | 39% | 0.392 | 43% | 0.429 | S | S | . | . | trans | 65.1 | 18.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | N623 | N623-G654 PolarHBondContact ND2-O 3.47Š| ||
| 655 | V | 52.3 | Low | 54 | Low | 30 Ų | 30 | 68.9 Ų | 68.9 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | trans | -147.2 | 100.8 | -172.4 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | T616 L619 R620 L653 | T616-V655 HydrophobicContact CG2-CG2 4.39Å; L619-V655 HydrophobicContact CB-CB 4.02Å; L619-V655 HydrophobicContact CB-CG1 3.35Å; L619-V655 HydrophobicContact CB-CG2 3.35Å; L619-V655 HydrophobicContact CD1-CB 4.48Å; L619-V655 HydrophobicContact CD1-CG1 3.08Å; L619-V655 HydrophobicContact CG-CG1 3.73Å; R620-V655 HydrophobicContact CG-CG2 4.32Å; L653-V655 VanDerWaalsContact C-N 3.28Å; L653-V655 WeakPolarHBondContact O-CG2 3.49Å; L653-V655 PolarHBondContact O-N 3.37Å | ||
| 656 | E | 52.6 | Low | 55.8 | Low | 155 Ų | 155 | 65.2 Ų | 65.2 | 72% | 0.724 | 37% | 0.365 | S | S | * | . | trans | -89.4 | 102.6 | 168.5 | -74.8 | -160.9 | 138.8 | 0 | 0 | 109.9 | R650 | R650-E656 IonicContact CZ-OE1 3.87Å; R650-E656 IonicContact NH2-OE1 2.84Å; R650-E656 PolarHBondContact NH2-OE1 2.89Å | ||
| 657 | L | 62.1 | Low | 57.5 | Low | 15 Ų | 15 | 66.9 Ų | 66.9 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | trans | -68.5 | 130.1 | 158.7 | -71.8 | 167.3 | 0 | 0 | 0 | 108.2 | V615 L619 Q661 L662 I665 L900 | V615-L657 HydrophobicContact CG1-CD1 3.77Å; V615-L657 HydrophobicContact CG1-CD2 3.38Å; V615-L657 HydrophobicContact CG1-CG 3.93Å; L619-L657 HydrophobicContact CD1-CD2 4.16Å; L657-Q661 HydrophobicContact CD2-CB 4.25Å; L657-L662 HydrophobicContact CB-CD2 3.73Å; L657-L662 HydrophobicContact CB-CG 3.98Å; L657-L662 HydrophobicContact CD1-CD2 3.82Å; L657-L662 HydrophobicContact CG-CD2 4.43Å; L657-I665 HydrophobicContact CD1-CD1 3.92Å; L657-L900 HydrophobicContact CB-CD2 4.33Å; L657-L900 HydrophobicContact CD1-CD1 3.91Å; L657-L900 HydrophobicContact CD1-CD2 4.21Å | ||
| 658 | N | 64.8 | Low | 59.5 | Low | 76 Ų | 76 | 65.5 Ų | 65.5 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | trans | -73.3 | 163.4 | 177.6 | 72.6 | 33.3 | 0 | 0 | 0 | 111 | D660 Q661 L662 | N658-D660 PolarHBondContact O-N 3.07Å; N658-D660 PolarHBondContact OD1-N 3.18Å; N658-D660 VanDerWaalsContact OD1-N 3.14Å; N658-Q661 VanDerWaalsContact N-OE1 3.16Å; N658-Q661 PolarHBondContact O-N 3.5Å; N658-Q661 WeakPolarHBondContact OD1-CB 3.14Å; N658-Q661 VanDerWaalsContact OD1-CG 3.28Å; N658-Q661 WeakPolarHBondContact OD1-CG 3.33Å; N658-Q661 PolarHBondContact OD1-N 3.43Å; N658-L662 WeakPolarHBondContact O-CG 3.45Å; N658-L662 PolarHBondContact O-N 3.41Å; N658-L662 VanDerWaalsContact O-N 3.09Å | ||
| 659 | T | 66.4 | Low | 61.2 | Low | 117 Ų | 117 | 63.1 Ų | 63.1 | 72% | 0.718 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -57.3 | -33.1 | -176.7 | -45.7 | 0 | 0 | 0 | 0 | 113.2 | L662 A663 | T659-L662 PolarHBondContact O-N 2.89Å; T659-A663 WeakPolarHBondContact O-CB 3.05Å; T659-A663 PolarHBondContact O-N 3.47Å |
| 660 | D | 67.8 | Low | 62.6 | Low | 111 Ų | 111 | 62.9 Ų | 62.9 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -72.9 | -45 | -178.6 | -63.1 | -31.4 | 0 | 0 | 0 | 111.1 | N658 L662 A663 I664 | N658-D660 PolarHBondContact O-N 3.07Å; N658-D660 PolarHBondContact OD1-N 3.18Å; N658-D660 VanDerWaalsContact OD1-N 3.14Å; D660-L662 PolarHBondContact O-N 3.27Å; D660-A663 WeakPolarHBondContact O-CB 3.09Å; D660-A663 PolarHBondContact O-N 2.89Å; D660-A663 VanDerWaalsContact O-N 3.16Å; D660-I664 VanDerWaalsContact O-CG1 3.25Å; D660-I664 WeakPolarHBondContact O-CG1 3.43Å; D660-I664 PolarHBondContact O-N 3.32Å |
| 661 | Q | 68.3 | Low | 64 | Low | 26 Ų | 26 | 55.8 Ų | 55.8 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.7 | -39.5 | 172.5 | -71.9 | 172.8 | -32.1 | 0 | 0 | 111.2 | G549 D550 V553 L657 N658 I664 I665 | G549-Q661 PolarHBondContact O-NE2 3.34Å; D550-Q661 WeakPolarHBondContact OD1-CG 3.32Å; V553-Q661 HydrophobicContact CG2-CB 4.37Å; V553-Q661 HydrophobicContact CG2-CG 4.17Å; L657-Q661 HydrophobicContact CD2-CB 4.25Å; N658-Q661 VanDerWaalsContact N-OE1 3.16Å; N658-Q661 PolarHBondContact O-N 3.5Å; N658-Q661 WeakPolarHBondContact OD1-CB 3.14Å; N658-Q661 VanDerWaalsContact OD1-CG 3.28Å; N658-Q661 WeakPolarHBondContact OD1-CG 3.33Å; N658-Q661 PolarHBondContact OD1-N 3.43Å; Q661-I664 PolarHBondContact O-N 3.11Å; Q661-I665 WeakPolarHBondContact O-CG1 3.01Å; Q661-I665 PolarHBondContact O-N 3.14Å |
| 662 | L | 66 | Low | 65.2 | Low | 24 Ų | 24 | 54 Ų | 54 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 176.4 | -65.5 | 177.1 | 0 | 0 | 0 | 113.5 | L657 N658 T659 D660 I664 I665 A666 L900 | L657-L662 HydrophobicContact CB-CD2 3.73Å; L657-L662 HydrophobicContact CB-CG 3.98Å; L657-L662 HydrophobicContact CD1-CD2 3.82Å; L657-L662 HydrophobicContact CG-CD2 4.43Å; N658-L662 WeakPolarHBondContact O-CG 3.45Å; N658-L662 PolarHBondContact O-N 3.41Å; N658-L662 VanDerWaalsContact O-N 3.09Å; T659-L662 PolarHBondContact O-N 2.89Å; D660-L662 PolarHBondContact O-N 3.27Å; L662-I664 VanDerWaalsContact C-N 3.31Å; L662-I665 HydrophobicContact CD2-CD1 4.32Å; L662-I665 PolarHBondContact O-N 3.32Å; L662-A666 WeakPolarHBondContact O-CB 3.43Å; L662-A666 PolarHBondContact O-N 3.4Å; L662-L900 HydrophobicContact CD1-CB 3.78Å; L662-L900 HydrophobicContact CD1-CD2 4.37Å; L662-L900 WeakPolarHBondContact CD1-O 3.15Å; L662-L900 HydrophobicContact CD2-CB 3.52Å; L662-L900 HydrophobicContact CD2-CD1 3.51Å; L662-L900 HydrophobicContact CD2-CD2 3.92Å; L662-L900 HydrophobicContact CD2-CG 3.8Å; L662-L900 HydrophobicContact CG-CB 4.27Å |
| 663 | A | 69.9 | Low | 65.9 | Low | 53 Ų | 53 | 55.6 Ų | 55.6 | 44% | 0.438 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T659 D660 A666 Q667 | T659-A663 WeakPolarHBondContact O-CB 3.05Å; T659-A663 PolarHBondContact O-N 3.47Å; D660-A663 WeakPolarHBondContact O-CB 3.09Å; D660-A663 PolarHBondContact O-N 2.89Å; D660-A663 VanDerWaalsContact O-N 3.16Å; A663-A666 PolarHBondContact O-N 2.85Å; A663-Q667 VanDerWaalsContact O-CB 3.26Å; A663-Q667 WeakPolarHBondContact O-CB 3.32Å; A663-Q667 PolarHBondContact O-N 3.2Å |
| 664 | I | 73.7 | Confident | 66.5 | Low | 29 Ų | 29 | 55.4 Ų | 55.4 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61 | -49 | 174.6 | -68.2 | 165.2 | 0 | 0 | 0 | 110.5 | D550 V553 K554 I557 D660 Q661 L662 A666 Q667 L668 | D550-I664 HydrophobicContact CB-CD1 4.24Å; V553-I664 HydrophobicContact CG1-CG2 4.21Å; K554-I664 HydrophobicContact CG-CG2 4.25Å; I557-I664 HydrophobicContact CD1-CG2 4.35Å; D660-I664 VanDerWaalsContact O-CG1 3.25Å; D660-I664 WeakPolarHBondContact O-CG1 3.43Å; D660-I664 PolarHBondContact O-N 3.32Å; Q661-I664 PolarHBondContact O-N 3.11Å; L662-I664 VanDerWaalsContact C-N 3.31Å; I664-A666 VanDerWaalsContact C-N 3.34Å; I664-A666 PolarHBondContact O-N 3.22Å; I664-Q667 PolarHBondContact O-N 2.79Å; I664-L668 HydrophobicContact CG2-CD1 3.55Å; I664-L668 HydrophobicContact CG2-CG 4.2Å; I664-L668 WeakPolarHBondContact O-CB 3.12Å; I664-L668 VanDerWaalsContact O-CG 3.3Å; I664-L668 WeakPolarHBondContact O-CG 3.32Å; I664-L668 PolarHBondContact O-N 2.8Å |
| 665 | I | 73 | Confident | 67.1 | Low | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 177.7 | -59.7 | 161.8 | 0 | 0 | 0 | 110.3 | V553 I557 Y608 A611 I612 L657 Q661 L662 S669 | V553-I665 HydrophobicContact CG1-CD1 4.03Å; V553-I665 HydrophobicContact CG1-CG1 3.46Å; V553-I665 VanDerWaalsContact CG1-CG1 3.46Å; I557-I665 HydrophobicContact CD1-CB 4.13Å; I557-I665 HydrophobicContact CD1-CG1 3.79Å; I557-I665 HydrophobicContact CD1-CG2 4.39Å; I557-I665 HydrophobicContact CG1-CG1 4.32Å; I557-I665 HydrophobicContact CG1-CG2 4.42Å; Y608-I665 HydrophobicContact CD2-CB 4.38Å; Y608-I665 HydrophobicContact CD2-CG2 3.45Å; Y608-I665 VanDerWaalsContact CD2-CG2 3.45Å; Y608-I665 HydrophobicContact CE2-CB 3.95Å; Y608-I665 HydrophobicContact CE2-CG2 3.43Å; Y608-I665 VanDerWaalsContact CE2-CG2 3.43Å; Y608-I665 HydrophobicContact CG-CG2 4.48Å; A611-I665 HydrophobicContact CB-CG2 4.09Å; I612-I665 HydrophobicContact CG1-CD1 4.49Å; I612-I665 HydrophobicContact CG1-CG2 4.35Å; L657-I665 HydrophobicContact CD1-CD1 3.92Å; Q661-I665 WeakPolarHBondContact O-CG1 3.01Å; Q661-I665 PolarHBondContact O-N 3.14Å; L662-I665 HydrophobicContact CD2-CD1 4.32Å; L662-I665 PolarHBondContact O-N 3.32Å; I665-S669 WeakPolarHBondContact O-CB 3.43Å; I665-S669 PolarHBondContact O-N 3.43Å; I665-S669 PolarHBondContact O-OG 3.43Å |
| 666 | A | 72.9 | Confident | 67.4 | Low | 22 Ų | 22 | 68.4 Ų | 68.4 | 18% | 0.182 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.7 | -37.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y608 L662 A663 I664 S669 G670 C671 Q672 | Y608-A666 HydrophobicContact CE2-CB 3.96Å; L662-A666 WeakPolarHBondContact O-CB 3.43Å; L662-A666 PolarHBondContact O-N 3.4Å; A663-A666 PolarHBondContact O-N 2.85Å; I664-A666 VanDerWaalsContact C-N 3.34Å; I664-A666 PolarHBondContact O-N 3.22Å; A666-S669 PolarHBondContact O-OG 2.82Å; A666-G670 PolarHBondContact O-N 3.08Å; A666-C671 PolarHBondContact O-N 3.23Å; A666-C671 VanDerWaalsContact O-N 3.09Å; A666-Q672 PolarHBondContact O-N 2.82Å |
| 667 | Q | 77.5 | Confident | 68.3 | Low | 121 Ų | 121 | 64.2 Ų | 64.2 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -70.1 | -50.8 | 176.8 | -176.6 | 178.8 | 0.3 | 0 | 0 | 111.1 | A663 I664 S669 G670 | A663-Q667 VanDerWaalsContact O-CB 3.26Å; A663-Q667 WeakPolarHBondContact O-CB 3.32Å; A663-Q667 PolarHBondContact O-N 3.2Å; I664-Q667 PolarHBondContact O-N 2.79Å; Q667-S669 PolarHBondContact O-N 2.95Å; Q667-G670 PolarHBondContact O-N 3.26Å |
| 668 | L | 79.6 | Confident | 68.8 | Low | 67 Ų | 67 | 68.1 Ų | 68.1 | 35% | 0.351 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -74.3 | -25.5 | -175 | -64.8 | -180 | 0 | 0 | 0 | 113.5 | K554 I557 I664 G670 | K554-L668 HydrophobicContact CG-CD1 3.89Å; I557-L668 HydrophobicContact CD1-CB 4.09Å; I557-L668 HydrophobicContact CD1-CD1 3.87Å; I557-L668 HydrophobicContact CG2-CB 3.86Å; I664-L668 HydrophobicContact CG2-CD1 3.55Å; I664-L668 HydrophobicContact CG2-CG 4.2Å; I664-L668 WeakPolarHBondContact O-CB 3.12Å; I664-L668 VanDerWaalsContact O-CG 3.3Å; I664-L668 WeakPolarHBondContact O-CG 3.32Å; I664-L668 PolarHBondContact O-N 2.8Å; L668-G670 VanDerWaalsContact C-N 3.35Å |
| 669 | S | 79.9 | Confident | 69.5 | Low | 11 Ų | 11 | 68.5 Ų | 68.5 | 8% | 0.077 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -74.9 | -22 | 170.9 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | A604 Y608 I665 A666 Q667 C671 | A604-S669 VanDerWaalsContact CA-O 3.27Å; A604-S669 WeakPolarHBondContact CA-O 3.32Å; A604-S669 VanDerWaalsContact CB-O 3.3Å; A604-S669 WeakPolarHBondContact CB-O 3.3Å; Y608-S669 VanDerWaalsContact CD2-OG 3.3Å; Y608-S669 WeakPolarHBondContact CD2-OG 3.49Å; I665-S669 WeakPolarHBondContact O-CB 3.43Å; I665-S669 PolarHBondContact O-N 3.43Å; I665-S669 PolarHBondContact O-OG 3.43Å; A666-S669 PolarHBondContact O-OG 2.82Å; Q667-S669 PolarHBondContact O-N 2.95Å; S669-C671 PolarHBondContact OG-N 2.79Å |
| 670 | G | 76.7 | Confident | 70.4 | Confident | 24 Ų | 24 | 63.5 Ų | 63.5 | 25% | 0.247 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 1.6 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | A666 Q667 L668 Q672 S673 | A666-G670 PolarHBondContact O-N 3.08Å; Q667-G670 PolarHBondContact O-N 3.26Å; L668-G670 VanDerWaalsContact C-N 3.35Å; G670-Q672 PolarHBondContact O-N 3.07Å; G670-S673 PolarHBondContact O-N 3.27Å; G670-S673 PolarHBondContact O-OG 2.99Å |
| 671 | C | 73.5 | Confident | 71.3 | Confident | 9 Ų | 9 | 62.3 Ų | 62.3 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -15.2 | 179.2 | -77.5 | 0 | 0 | 0 | 0 | 114.3 | A604 A666 S669 C892 | A604-C671 PolarHBondContact O-SG 2.87Å; A666-C671 PolarHBondContact O-N 3.23Å; A666-C671 VanDerWaalsContact O-N 3.09Å; S669-C671 PolarHBondContact OG-N 2.79Å; C671-C892 WeakPolarHBondContact CA-SG 3.32Å; C671-C892 HydrophobicContact CB-CB 3.57Å; C671-C892 WeakPolarHBondContact CB-SG 3.38Å; C671-C892 WeakPolarHBondContact SG-CB 3.38Å; C671-C892 CovalentContact SG-SG 2.04Å; C671-C892 PolarHBondContact SG-SG 2.75Å |
| 672 | Q | 66.7 | Low | 72 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 54% | 0.537 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -37.2 | 176.3 | -166.8 | 175.6 | 28.3 | 0 | 0 | 113.2 | A666 G670 A674 | A666-Q672 PolarHBondContact O-N 2.82Å; G670-Q672 PolarHBondContact O-N 3.07Å; Q672-A674 PolarHBondContact O-N 3.37Å |
| 673 | S | 57.1 | Low | 72.8 | Confident | 95 Ų | 95 | 73.7 Ų | 73.7 | 66% | 0.664 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -65.8 | -21.2 | -178 | 11.7 | 0 | 0 | 0 | 0 | 113.8 | G670 Q675 | G670-S673 PolarHBondContact O-N 3.27Å; G670-S673 PolarHBondContact O-OG 2.99Å; S673-Q675 PolarHBondContact O-N 2.82Å; S673-Q675 VanDerWaalsContact O-N 3.13Å |
| 674 | A | 54.6 | Low | 73.6 | Confident | 26 Ų | 26 | 73.2 Ų | 73.2 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -73.2 | 0.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | L601 Q672 R704 | L601-A674 HydrophobicContact CD2-CB 3.4Å; L601-A674 VanDerWaalsContact CD2-CB 3.4Å; Q672-A674 PolarHBondContact O-N 3.37Å; A674-R704 PolarHBondContact O-NH1 3.24Å |
| 675 | Q | 53.4 | Low | 74.2 | Confident | 149 Ų | 149 | 77.2 Ų | 77.2 | 70% | 0.696 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -112.7 | -14.1 | -169.7 | -65.2 | -173.3 | -0.8 | 0 | 0 | 115.5 | S673 L677 | S673-Q675 PolarHBondContact O-N 2.82Å; S673-Q675 VanDerWaalsContact O-N 3.13Å; Q675-L677 PolarHBondContact O-N 3.35Å |
| 676 | Q | 59.9 | Low | 75 | Confident | 191 Ų | 191 | 80.2 Ų | 80.2 | 89% | 0.893 | 43% | 0.431 | S | S | * | . | trans | -85.8 | 112.1 | -179.4 | -75.8 | -176 | -6.6 | 0 | 0 | 111.3 | ||||
| 677 | L | 70.3 | Confident | 75.8 | Confident | 67 Ų | 67 | 80.1 Ų | 80.1 | 35% | 0.351 | 43% | 0.427 | S | S | . | . | trans | -109.3 | 134.4 | 169.6 | -176.1 | 74.4 | 0 | 0 | 0 | 109 | Q675 T696 P703 R704 | Q675-L677 PolarHBondContact O-N 3.35Å; L677-T696 HydrophobicContact CD1-CG2 3.74Å; L677-P703 HydrophobicContact CD2-CB 3.29Å; L677-P703 HydrophobicContact CD2-CG 4.23Å; L677-R704 HydrophobicContact CD2-CG 4.14Å | ||
| 678 | D | 72.8 | Confident | 76.4 | Confident | 97 Ų | 97 | 78.2 Ų | 78.2 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | trans | -60.8 | 136.3 | 171.2 | -97.3 | -1.9 | 0 | 0 | 0 | 110.5 | C680 R682 | D678-C680 PolarHBondContact O-N 2.71Å; D678-R682 IonicContact OD1-NH1 3.76Å; D678-R682 PolarHBondContact OD1-NH1 3.45Å; D678-R682 WeakPolarHBondContact OD2-CD 3.41Å; D678-R682 IonicContact OD2-CZ 2.87Å; D678-R682 IonicContact OD2-NE 3.52Å; D678-R682 IonicContact OD2-NH1 2.78Å; D678-R682 PolarHBondContact OD2-NH1 3.3Å | ||
| 679 | P | 79.2 | Confident | 76.9 | Confident | 84 Ų | 84 | 79.4 Ų | 79.4 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | trans | -58 | 130.8 | 176.4 | -23.5 | 32.4 | 0 | 0 | 0 | 111.6 | S681 R682 | P679-S681 PolarHBondContact O-N 2.86Å; P679-R682 VanDerWaalsContact O-CB 3.25Å; P679-R682 WeakPolarHBondContact O-CB 3.19Å; P679-R682 PolarHBondContact O-N 3.38Å | ||
| 680 | C | 86.6 | Confident | 77.7 | Confident | 12 Ų | 12 | 80 Ų | 80 | 8% | 0.081 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -55.3 | -24 | 178.1 | -58.9 | 0 | 0 | 0 | 0 | 113.6 | D678 R682 Q683 L684 H687 C697 L700 | D678-C680 PolarHBondContact O-N 2.71Å; C680-R682 PolarHBondContact O-N 3.09Å; C680-Q683 PolarHBondContact O-N 2.99Å; C680-L684 PolarHBondContact O-N 2.96Å; C680-H687 PolarHBondContact O-CD2 2.93Å; C680-C697 WeakPolarHBondContact CA-SG 3.42Å; C680-C697 HydrophobicContact CB-CB 3.78Å; C680-C697 WeakPolarHBondContact CB-SG 3.21Å; C680-C697 VanDerWaalsContact SG-CA 3.52Å; C680-C697 WeakPolarHBondContact SG-CB 3.28Å; C680-C697 CovalentContact SG-SG 2.04Å; C680-C697 PolarHBondContact SG-SG 2.94Å; C680-L700 HydrophobicContact CB-CD2 4.33Å |
| 681 | S | 85.1 | Confident | 78.6 | Confident | 87 Ų | 87 | 80.4 Ų | 80.4 | 61% | 0.608 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -61.7 | -23.2 | 175.6 | 55.6 | 0 | 0 | 0 | 0 | 113.5 | P679 Q683 | P679-S681 PolarHBondContact O-N 2.86Å; S681-Q683 VanDerWaalsContact C-N 3.29Å; S681-Q683 PolarHBondContact O-N 2.78Å |
| 682 | R | 83.5 | Confident | 79.7 | Confident | 176 Ų | 176 | 80.5 Ų | 80.5 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -62.2 | -34.6 | -179.8 | -170.2 | 177.3 | -175.7 | 159.9 | 5 | 112.7 | D678 P679 C680 | D678-R682 IonicContact OD1-NH1 3.76Å; D678-R682 PolarHBondContact OD1-NH1 3.45Å; D678-R682 WeakPolarHBondContact OD2-CD 3.41Å; D678-R682 IonicContact OD2-CZ 2.87Å; D678-R682 IonicContact OD2-NE 3.52Å; D678-R682 IonicContact OD2-NH1 2.78Å; D678-R682 PolarHBondContact OD2-NH1 3.3Å; P679-R682 VanDerWaalsContact O-CB 3.25Å; P679-R682 WeakPolarHBondContact O-CB 3.19Å; P679-R682 PolarHBondContact O-N 3.38Å; C680-R682 PolarHBondContact O-N 3.09Å |
| 683 | Q | 82.3 | Confident | 81 | Confident | 113 Ų | 113 | 75.6 Ų | 75.6 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -129.7 | 39.4 | 178.1 | -60 | -170.7 | 11.2 | 0 | 0 | 111.7 | C680 S681 C685 F686 H687 | C680-Q683 PolarHBondContact O-N 2.99Å; S681-Q683 VanDerWaalsContact C-N 3.29Å; S681-Q683 PolarHBondContact O-N 2.78Å; Q683-C685 VanDerWaalsContact C-N 3.27Å; Q683-C685 PolarHBondContact O-N 3.02Å; Q683-C685 VanDerWaalsContact O-N 3.15Å; Q683-F686 HydrophobicContact CB-CB 4.31Å; Q683-F686 WeakPolarHBondContact O-CB 3.46Å; Q683-F686 PolarHBondContact O-N 3.27Å; Q683-H687 PolarHBondContact O-CD2 2.92Å; Q683-H687 VanDerWaalsContact O-CD2 3.28Å; Q683-H687 PolarHBondContact O-N 2.8Å |
| 684 | L | 87.5 | Confident | 82.8 | Confident | 42 Ų | 42 | 73.3 Ų | 73.3 | 22% | 0.22 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -54.1 | -40.7 | -172.9 | -173 | 62 | 0 | 0 | 0 | 113 | C680 F686 H687 L688 | C680-L684 PolarHBondContact O-N 2.96Å; L684-F686 VanDerWaalsContact C-N 3.28Å; L684-F686 PolarHBondContact O-N 2.69Å; L684-H687 CarbonylContact O-C 3.44Å; L684-H687 PolarHBondContact O-N 3.27Å; L684-L688 HydrophobicContact CD1-CD2 4.47Å; L684-L688 HydrophobicContact CD1-CG 4.17Å; L684-L688 HydrophobicContact CG-CD1 3.99Å; L684-L688 HydrophobicContact CG-CG 4.13Å; L684-L688 WeakPolarHBondContact O-CB 3.34Å; L684-L688 WeakPolarHBondContact O-CG 3.48Å; L684-L688 PolarHBondContact O-N 3.33Å |
| 685 | C | 85.4 | Confident | 84.7 | Confident | 114 Ų | 114 | 72.2 Ų | 72.2 | 77% | 0.77 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.5 | -36.8 | 177.8 | -63.4 | 0 | 0 | 0 | 0 | 113 | Q683 | Q683-C685 VanDerWaalsContact C-N 3.27Å; Q683-C685 PolarHBondContact O-N 3.02Å; Q683-C685 VanDerWaalsContact O-N 3.15Å |
| 686 | F | 90.7 | Very high | 86.6 | Confident | 63 Ų | 63 | 66 Ų | 66 | 28% | 0.276 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.1 | -52.2 | 174.3 | 176.1 | -92.8 | 0 | 0 | 0 | 110.3 | Q683 L684 L688 R689 Y690 | Q683-F686 HydrophobicContact CB-CB 4.31Å; Q683-F686 WeakPolarHBondContact O-CB 3.46Å; Q683-F686 PolarHBondContact O-N 3.27Å; L684-F686 VanDerWaalsContact C-N 3.28Å; L684-F686 PolarHBondContact O-N 2.69Å; F686-L688 PolarHBondContact O-N 3.49Å; F686-L688 VanDerWaalsContact O-N 3.15Å; F686-R689 PolarHBondContact O-N 3.35Å; F686-Y690 HydrophobicContact CD2-CD2 4.01Å; F686-Y690 AromaticContact CE2-CD2 3.95Å; F686-Y690 HydrophobicContact CE2-CD2 3.95Å; F686-Y690 HydrophobicContact CE2-CG 4.35Å; F686-Y690 PolarHBondContact O-N 3.4Å |
| 687 | H | 90.5 | Very high | 88.3 | Confident | 19 Ų | 19 | 57.1 Ų | 57.1 | 9% | 0.088 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -17.8 | -179.1 | -63 | -60.6 | 0 | 0 | 0 | 113.7 | C680 Q683 L684 R689 C697 R1259 F1260 | C680-H687 PolarHBondContact O-CD2 2.93Å; Q683-H687 PolarHBondContact O-CD2 2.92Å; Q683-H687 VanDerWaalsContact O-CD2 3.28Å; Q683-H687 PolarHBondContact O-N 2.8Å; L684-H687 CarbonylContact O-C 3.44Å; L684-H687 PolarHBondContact O-N 3.27Å; H687-R689 VanDerWaalsContact C-N 3.33Å; H687-C697 HydrophobicContact CB-CB 4.4Å; H687-R1259 PolarHBondContact O-NH1 3.12Å; H687-R1259 PolarHBondContact O-NH2 3.39Å; H687-F1260 WeakPolarHBondContact O-CZ 3.46Å |
| 688 | L | 89.2 | Confident | 89.5 | Confident | 82 Ų | 82 | 54.1 Ų | 54.1 | 43% | 0.429 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -74.5 | -24.8 | 171.2 | -75.4 | 172.9 | 0 | 0 | 0 | 112.5 | L684 F686 | L684-L688 HydrophobicContact CD1-CD2 4.47Å; L684-L688 HydrophobicContact CD1-CG 4.17Å; L684-L688 HydrophobicContact CG-CD1 3.99Å; L684-L688 HydrophobicContact CG-CG 4.13Å; L684-L688 WeakPolarHBondContact O-CB 3.34Å; L684-L688 WeakPolarHBondContact O-CG 3.48Å; L684-L688 PolarHBondContact O-N 3.33Å; F686-L688 PolarHBondContact O-N 3.49Å; F686-L688 VanDerWaalsContact O-N 3.15Å |
| 689 | R | 90.3 | Very high | 90.6 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 35% | 0.347 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -111.2 | -35.9 | -172.1 | -169.4 | 173.9 | 176.4 | 157.5 | 3.4 | 114.2 | F686 H687 E1024 E1327 | F686-R689 PolarHBondContact O-N 3.35Å; H687-R689 VanDerWaalsContact C-N 3.33Å; R689-E1024 IonicContact CZ-OE1 3.51Å; R689-E1024 IonicContact NE-OE1 2.79Å; R689-E1024 PolarHBondContact NE-OE1 3.46Å; R689-E1024 IonicContact NH2-OE1 3.68Å; R689-E1024 PolarHBondContact NH2-OE1 2.99Å; R689-E1327 IonicContact NH2-OE1 2.74Å |
| 690 | Y | 95.9 | Very high | 91.2 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 9% | 0.09 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -135.4 | 150.6 | -171.8 | -54.1 | -60.9 | 0 | 0 | 0 | 112.3 | F686 N1023 E1024 K1027 F1260 | F686-Y690 HydrophobicContact CD2-CD2 4.01Å; F686-Y690 AromaticContact CE2-CD2 3.95Å; F686-Y690 HydrophobicContact CE2-CD2 3.95Å; F686-Y690 HydrophobicContact CE2-CG 4.35Å; F686-Y690 PolarHBondContact O-N 3.4Å; Y690-N1023 HydrophobicContact CD1-CB 3.71Å; Y690-N1023 HydrophobicContact CD2-CB 4.06Å; Y690-N1023 HydrophobicContact CE1-CB 3.71Å; Y690-N1023 HydrophobicContact CE2-CB 4.05Å; Y690-N1023 HydrophobicContact CG-CB 3.88Å; Y690-E1024 HydrophobicContact CE1-CG 4.28Å; Y690-E1024 WeakPolarHBondContact CE1-OE1 3.35Å; Y690-E1024 PolarHBondContact OH-OE1 3.33Å; Y690-K1027 HydrophobicContact CD1-CD 4.42Å; Y690-K1027 HydrophobicContact CE1-CD 4.47Å; Y690-F1260 WeakPolarHBondContact O-CZ 3.42Å |
| 691 | R | 96.5 | Very high | 91.4 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | trans | -69.6 | 142.7 | 172.2 | -60.8 | 173.7 | -175.7 | -85 | -3.2 | 109.8 | D918 R1026 D1258 F1260 | R691-D918 VanDerWaalsContact CD-CB 3.48Å; R691-R1026 PolarHBondContact O-NH1 2.04Å; R691-D1258 IonicContact CZ-OD1 2.79Å; R691-D1258 IonicContact CZ-OD2 3.61Å; R691-D1258 IonicContact NH1-OD1 3.6Å; R691-D1258 PolarHBondContact NH1-OD1 3.05Å; R691-D1258 IonicContact NH1-OD2 3.7Å; R691-D1258 PolarHBondContact NH1-OD2 2.83Å; R691-D1258 IonicContact NH2-OD1 3.61Å; R691-D1258 PolarHBondContact NH2-OD1 3.11Å; R691-D1258 IonicContact NH2-OD2 2.69Å; R691-D1258 PolarHBondContact NH2-OD2 3.36Å; R691-F1260 HydrophobicContact CG-CB 3.98Å; R691-F1260 HydrophobicContact CG-CD1 4.32Å; R691-F1260 HydrophobicContact CG-CD2 3.63Å; R691-F1260 HydrophobicContact CG-CE2 4.03Å; R691-F1260 HydrophobicContact CG-CG 3.75Å; R691-F1260 PolarHBondContact NH2-O 2.64Å | ||
| 692 | S | 95.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 51 Ų | 51 | 8% | 0.084 | 25% | 0.248 | C | C | . | . | trans | -65.1 | 166.1 | 161 | 65.7 | 0 | 0 | 0 | 0 | 110.2 | D694 G695 T696 R1026 | S692-D694 VanDerWaalsContact CB-OD1 3.29Å; S692-D694 WeakPolarHBondContact CB-OD1 3.45Å; S692-D694 PolarHBondContact OG-OD1 3.26Å; S692-G695 PolarHBondContact OG-N 2.8Å; S692-G695 VanDerWaalsContact OG-N 3.14Å; S692-T696 PolarHBondContact OG-N 2.96Å; S692-T696 PolarHBondContact OG-O 3.18Å; S692-T696 PolarHBondContact OG-OG1 3.29Å; S692-R1026 PolarHBondContact O-NH2 3.01Å | ||
| 693 | I | 95.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 44.2 Ų | 44.2 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -71.1 | -37.5 | 176.7 | -62.6 | -63.7 | 0 | 0 | 0 | 110.9 | G924 D926 D927 N930 | I693-G924 WeakPolarHBondContact CG2-O 3.37Å; I693-D926 WeakPolarHBondContact CG2-O 3.25Å; I693-D927 WeakPolarHBondContact CB-OD1 3.49Å; I693-D927 WeakPolarHBondContact CG1-OD1 3.49Å; I693-N930 HydrophobicContact CD1-CB 4.12Å; I693-N930 HydrophobicContact CG1-CB 4.16Å; I693-N930 HydrophobicContact CG2-CB 3.96Å |
| 694 | D | 93.8 | Very high | 92.6 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -88.2 | 4.4 | -177.6 | 70.1 | -8.7 | 0 | 0 | 0 | 114.8 | S692 T696 A707 A708 S925 | S692-D694 VanDerWaalsContact CB-OD1 3.29Å; S692-D694 WeakPolarHBondContact CB-OD1 3.45Å; S692-D694 PolarHBondContact OG-OD1 3.26Å; D694-T696 PolarHBondContact O-N 3.41Å; D694-T696 WeakPolarHBondContact OD1-CB 3.26Å; D694-T696 PolarHBondContact OD1-N 2.81Å; D694-T696 PolarHBondContact OD1-OG1 3.18Å; D694-T696 WeakPolarHBondContact OD2-CG2 3.39Å; D694-T696 PolarHBondContact OD2-OG1 2.85Å; D694-A707 CarbonylContact O-C 3.56Å; D694-A707 VanDerWaalsContact O-CA 3.27Å; D694-A707 WeakPolarHBondContact O-CA 3.24Å; D694-A707 WeakPolarHBondContact O-CB 3.35Å; D694-A708 HydrophobicContact CB-CB 4.48Å; D694-A708 PolarHBondContact O-N 3.37Å; D694-S925 WeakPolarHBondContact CA-O 3.26Å |
| 695 | G | 95.7 | Very high | 93 | Very high | 3 Ų | 3 | 44.7 Ų | 44.7 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | trans | 74.5 | -0.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S692 | S692-G695 PolarHBondContact OG-N 2.8Å; S692-G695 VanDerWaalsContact OG-N 3.14Å | ||
| 696 | T | 94.1 | Very high | 93.5 | Very high | 19 Ų | 19 | 39.2 Ų | 39.2 | 12% | 0.117 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 155.7 | 174.7 | 60.8 | 0 | 0 | 0 | 0 | 112.7 | L677 S692 D694 N698 P703 A707 | L677-T696 HydrophobicContact CD1-CG2 3.74Å; S692-T696 PolarHBondContact OG-N 2.96Å; S692-T696 PolarHBondContact OG-O 3.18Å; S692-T696 PolarHBondContact OG-OG1 3.29Å; D694-T696 PolarHBondContact O-N 3.41Å; D694-T696 WeakPolarHBondContact OD1-CB 3.26Å; D694-T696 PolarHBondContact OD1-N 2.81Å; D694-T696 PolarHBondContact OD1-OG1 3.18Å; D694-T696 WeakPolarHBondContact OD2-CG2 3.39Å; D694-T696 PolarHBondContact OD2-OG1 2.85Å; T696-N698 PolarHBondContact O-N 3.12Å; T696-P703 VanDerWaalsContact CA-O 3.28Å; T696-P703 WeakPolarHBondContact CA-O 3.43Å; T696-A707 HydrophobicContact CG2-CB 3.76Å |
| 697 | C | 94.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 16.7 | 179.2 | -59.3 | 0 | 0 | 0 | 0 | 114.9 | C680 H687 P703 R1259 | C680-C697 WeakPolarHBondContact CA-SG 3.42Å; C680-C697 HydrophobicContact CB-CB 3.78Å; C680-C697 WeakPolarHBondContact CB-SG 3.21Å; C680-C697 VanDerWaalsContact SG-CA 3.52Å; C680-C697 WeakPolarHBondContact SG-CB 3.28Å; C680-C697 CovalentContact SG-SG 2.04Å; C680-C697 PolarHBondContact SG-SG 2.94Å; H687-C697 HydrophobicContact CB-CB 4.4Å; C697-P703 PolarHBondContact N-O 3.28Å; C697-R1259 PolarHBondContact O-NH2 3.06Å |
| 698 | N | 95.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -60.5 | -56.8 | 163.7 | -170.9 | -57.4 | 0 | 0 | 0 | 109.3 | T696 F916 D1258 R1259 | T696-N698 PolarHBondContact O-N 3.12Å; N698-F916 HydrophobicContact CB-CE1 4.08Å; N698-F916 HydrophobicContact CB-CE2 3.79Å; N698-F916 HydrophobicContact CB-CZ 3.38Å; N698-F916 VanDerWaalsContact CG-CE1 3.48Å; N698-F916 WeakPolarHBondContact ND2-CE1 3.15Å; N698-F916 VanDerWaalsContact ND2-CZ 3.32Å; N698-F916 WeakPolarHBondContact ND2-CZ 3.09Å; N698-D1258 PolarHBondContact ND2-OD1 3.15Å; N698-R1259 WeakPolarHBondContact O-CB 3.43Å; N698-R1259 PolarHBondContact O-NE 3.36Å; N698-R1259 WeakPolarHBondContact OD1-CB 3.43Å; N698-R1259 PolarHBondContact OD1-N 2.89Å |
| 699 | N | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -90.4 | 115.8 | 169.2 | -170.3 | -45.7 | 0 | 0 | 0 | 109.9 | N701 H702 P703 Y1062 | N699-N701 VanDerWaalsContact C-N 3.29Å; N699-N701 PolarHBondContact O-N 3.12Å; N699-N701 PolarHBondContact OD1-N 2.93Å; N699-H702 HydrophobicContact CB-CB 4.49Å; N699-H702 CarbonylContact O-C 3.54Å; N699-H702 PolarHBondContact O-N 3.23Å; N699-H702 PolarHBondContact OD1-N 2.6Å; N699-P703 WeakPolarHBondContact O-CA 3.32Å; N699-P703 VanDerWaalsContact O-N 3.16Å; N699-Y1062 PolarHBondContact ND2-O 2.77Å |
| 700 | L | 92.6 | Very high | 93.9 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 20% | 0.204 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -70.4 | -25 | -176.3 | -60.4 | 179 | 0 | 0 | 0 | 113.3 | C680 Y1361 | C680-L700 HydrophobicContact CB-CD2 4.33Å; L700-Y1361 HydrophobicContact CD1-CE2 4.27Å |
| 701 | N | 90.6 | Very high | 93.7 | Very high | 92 Ų | 92 | 31.4 Ų | 31.4 | 49% | 0.492 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -88.4 | -30.3 | 179 | -66.2 | -12.5 | 0 | 0 | 0 | 111.8 | N699 Y1062 | N699-N701 VanDerWaalsContact C-N 3.29Å; N699-N701 PolarHBondContact O-N 3.12Å; N699-N701 PolarHBondContact OD1-N 2.93Å; N701-Y1062 VanDerWaalsContact ND2-CD2 3.31Å; N701-Y1062 WeakPolarHBondContact ND2-CD2 3.25Å |
| 702 | H | 92.7 | Very high | 93.6 | Very high | 83 Ų | 83 | 30.2 Ų | 30.2 | 38% | 0.384 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -127.8 | 73.4 | 176.3 | -60.4 | -64.9 | 0 | 0 | 0 | 110.8 | N699 R704 W705 | N699-H702 HydrophobicContact CB-CB 4.49Å; N699-H702 CarbonylContact O-C 3.54Å; N699-H702 PolarHBondContact O-N 3.23Å; N699-H702 PolarHBondContact OD1-N 2.6Å; H702-R704 PolarHBondContact O-N 2.98Å; H702-W705 HydrophobicContact CB-CB 4.34Å; H702-W705 HydrophobicContact CB-CD2 3.41Å; H702-W705 VanDerWaalsContact CB-CD2 3.41Å; H702-W705 HydrophobicContact CB-CE3 3.83Å; H702-W705 HydrophobicContact CB-CG 3.64Å; H702-W705 HydrophobicContact CB-CZ2 4.16Å; H702-W705 HydrophobicContact CB-CZ3 4.35Å; H702-W705 AromaticContact CD2-CE2 3.97Å; H702-W705 AromaticContact CD2-CE3 3.94Å; H702-W705 AromaticContact CD2-CH2 3.39Å; H702-W705 WeakPolarHBondContact CD2-CH2 3.26Å; H702-W705 AromaticContact CD2-CZ2 3.61Å; H702-W705 AromaticContact CD2-CZ3 3.56Å; H702-W705 AromaticContact CG-CD2 3.88Å; H702-W705 AromaticContact CG-CE2 3.63Å; H702-W705 AromaticContact CG-CH2 3.93Å; H702-W705 AromaticContact CG-CZ2 3.68Å; H702-W705 AromaticContact NE2-CH2 3.82Å; H702-W705 AromaticContact NE2-CZ2 4Å; H702-W705 PolarHBondContact O-N 3.11Å |
| 703 | P | 92.6 | Very high | 93.6 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 21% | 0.214 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.5 | -168.5 | -31.9 | 39.5 | 0 | 0 | 0 | 117.2 | L677 T696 C697 N699 | L677-P703 HydrophobicContact CD2-CB 3.29Å; L677-P703 HydrophobicContact CD2-CG 4.23Å; T696-P703 VanDerWaalsContact CA-O 3.28Å; T696-P703 WeakPolarHBondContact CA-O 3.43Å; C697-P703 PolarHBondContact N-O 3.28Å; N699-P703 WeakPolarHBondContact O-CA 3.32Å; N699-P703 VanDerWaalsContact O-N 3.16Å |
| 704 | R | 91.5 | Very high | 93.6 | Very high | 97 Ų | 97 | 33.1 Ų | 33.1 | 37% | 0.366 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -7.6 | 179.9 | -64.9 | -170.9 | 69.3 | 164.2 | 3.8 | 114.2 | A674 L677 H702 G706 A707 L709 V710 | A674-R704 PolarHBondContact O-NH1 3.24Å; L677-R704 HydrophobicContact CD2-CG 4.14Å; H702-R704 PolarHBondContact O-N 2.98Å; R704-G706 PolarHBondContact O-N 3.43Å; R704-A707 WeakPolarHBondContact O-CB 3.41Å; R704-A707 PolarHBondContact O-N 3.34Å; R704-L709 PolarHBondContact NH2-O 2.93Å; R704-V710 HydrophobicContact CB-CG1 4.32Å |
| 705 | W | 95.6 | Very high | 93.7 | Very high | 68 Ų | 68 | 32.3 Ų | 32.3 | 26% | 0.258 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 117.3 | 179.4 | -75.4 | 3.5 | 0 | 0 | 0 | 110.6 | H702 A707 N1065 | H702-W705 HydrophobicContact CB-CB 4.34Å; H702-W705 HydrophobicContact CB-CD2 3.41Å; H702-W705 VanDerWaalsContact CB-CD2 3.41Å; H702-W705 HydrophobicContact CB-CE3 3.83Å; H702-W705 HydrophobicContact CB-CG 3.64Å; H702-W705 HydrophobicContact CB-CZ2 4.16Å; H702-W705 HydrophobicContact CB-CZ3 4.35Å; H702-W705 AromaticContact CD2-CE2 3.97Å; H702-W705 AromaticContact CD2-CE3 3.94Å; H702-W705 AromaticContact CD2-CH2 3.39Å; H702-W705 WeakPolarHBondContact CD2-CH2 3.26Å; H702-W705 AromaticContact CD2-CZ2 3.61Å; H702-W705 AromaticContact CD2-CZ3 3.56Å; H702-W705 AromaticContact CG-CD2 3.88Å; H702-W705 AromaticContact CG-CE2 3.63Å; H702-W705 AromaticContact CG-CH2 3.93Å; H702-W705 AromaticContact CG-CZ2 3.68Å; H702-W705 AromaticContact NE2-CH2 3.82Å; H702-W705 AromaticContact NE2-CZ2 4Å; H702-W705 PolarHBondContact O-N 3.11Å; W705-A707 VanDerWaalsContact C-N 3.3Å; W705-N1065 HydrophobicContact CD2-CB 3.81Å; W705-N1065 HydrophobicContact CE3-CB 3.67Å; W705-N1065 HydrophobicContact CG-CB 4.42Å; W705-N1065 HydrophobicContact CH2-CB 4.22Å; W705-N1065 HydrophobicContact CZ2-CB 4.35Å; W705-N1065 HydrophobicContact CZ3-CB 3.88Å |
| 706 | G | 95.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 1.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R704 A915 F916 T1067 | R704-G706 PolarHBondContact O-N 3.43Å; G706-A915 PolarHBondContact O-N 2.88Å; G706-F916 VanDerWaalsContact O-CE2 3.29Å; G706-F916 WeakPolarHBondContact O-CE2 3.41Å; G706-T1067 PolarHBondContact N-OG1 3.32Å |
| 707 | A | 95.5 | Very high | 93.6 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.017 | 19% | 0.185 | C | C | . | . | trans | -70.3 | 158.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D694 T696 R704 W705 V710 | D694-A707 CarbonylContact O-C 3.56Å; D694-A707 VanDerWaalsContact O-CA 3.27Å; D694-A707 WeakPolarHBondContact O-CA 3.24Å; D694-A707 WeakPolarHBondContact O-CB 3.35Å; T696-A707 HydrophobicContact CG2-CB 3.76Å; R704-A707 WeakPolarHBondContact O-CB 3.41Å; R704-A707 PolarHBondContact O-N 3.34Å; W705-A707 VanDerWaalsContact C-N 3.3Å; A707-V710 HydrophobicContact CB-CG1 4.26Å; A707-V710 WeakPolarHBondContact O-CG2 3.43Å | ||
| 708 | A | 93.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 36.8 Ų | 36.8 | 10% | 0.099 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -62.8 | 158.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D694 V710 Q912 I913 T914 | D694-A708 HydrophobicContact CB-CB 4.48Å; D694-A708 PolarHBondContact O-N 3.37Å; A708-V710 VanDerWaalsContact C-N 3.31Å; A708-V710 PolarHBondContact O-N 2.9Å; A708-Q912 WeakPolarHBondContact CB-O 3.31Å; A708-I913 WeakPolarHBondContact CA-O 3.44Å; A708-T914 HydrophobicContact CB-CG2 4.25Å |
| 709 | L | 90.6 | Very high | 93.4 | Very high | 36 Ų | 36 | 40.6 Ų | 40.6 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 57.6 | 40.2 | 177.4 | -51.6 | 169.7 | 0 | 0 | 0 | 113.3 | A597 A598 L601 R704 L910 N911 Q912 | A597-L709 HydrophobicContact CB-CD1 3.56Å; A598-L709 HydrophobicContact CB-CD2 3.68Å; L601-L709 HydrophobicContact CD1-CB 3.76Å; L601-L709 HydrophobicContact CD1-CD1 4.18Å; L601-L709 HydrophobicContact CD1-CD2 4.2Å; L601-L709 HydrophobicContact CD1-CG 4.28Å; R704-L709 PolarHBondContact NH2-O 2.93Å; L709-L910 HydrophobicContact CB-CD1 4.37Å; L709-L910 HydrophobicContact CD2-CD2 3.79Å; L709-L910 WeakPolarHBondContact O-CD1 3.49Å; L709-N911 VanDerWaalsContact CA-O 3.23Å; L709-N911 WeakPolarHBondContact CA-O 3.23Å; L709-N911 PolarHBondContact N-O 2.85Å; L709-Q912 HydrophobicContact CD2-CB 4.26Å; L709-Q912 HydrophobicContact CD2-CG 4.04Å |
| 710 | V | 89.2 | Confident | 93.2 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.055 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 153 | 172.7 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | R704 A707 A708 N911 T1067 | R704-V710 HydrophobicContact CB-CG1 4.32Å; A707-V710 HydrophobicContact CB-CG1 4.26Å; A707-V710 WeakPolarHBondContact O-CG2 3.43Å; A708-V710 VanDerWaalsContact C-N 3.31Å; A708-V710 PolarHBondContact O-N 2.9Å; V710-N911 PolarHBondContact N-O 3.4Å; V710-N911 PolarHBondContact O-N 2.99Å; V710-T1067 HydrophobicContact CG2-CG2 4.09Å |
| 711 | P | 91.6 | Very high | 93.1 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 36% | 0.357 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 148.9 | 173.8 | 26.1 | -33.9 | 0 | 0 | 0 | 111 | T891 E908 Q909 | P711-T891 HydrophobicContact CB-CG2 3.88Å; P711-T891 HydrophobicContact CG-CG2 4.49Å; P711-E908 HydrophobicContact CB-CB 3.95Å; P711-Q909 WeakPolarHBondContact CA-O 3.37Å |
| 712 | F | 95.6 | Very high | 92.8 | Very high | 8 Ų | 8 | 38.8 Ų | 38.8 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 147.7 | 170.2 | -67.3 | -74 | 0 | 0 | 0 | 111.3 | D839 T841 Q909 L910 N911 I1068 N1070 A1073 | F712-D839 HydrophobicContact CE1-CB 3.94Å; F712-D839 HydrophobicContact CZ-CB 4.3Å; F712-T841 HydrophobicContact CE2-CG2 4.34Å; F712-T841 WeakPolarHBondContact CE2-OG1 3.41Å; F712-T841 WeakPolarHBondContact CZ-OG1 3.33Å; F712-Q909 HydrophobicContact CD2-CB 4.09Å; F712-Q909 VanDerWaalsContact CD2-O 3.29Å; F712-Q909 WeakPolarHBondContact CD2-O 3.27Å; F712-Q909 HydrophobicContact CE2-CB 4.25Å; F712-Q909 PolarHBondContact N-O 3.24Å; F712-Q909 VanDerWaalsContact N-O 3.16Å; F712-L910 WeakPolarHBondContact CE2-O 3.45Å; F712-N911 HydrophobicContact CD1-CB 4.15Å; F712-N911 HydrophobicContact CE1-CB 3.61Å; F712-N911 HydrophobicContact CE2-CB 4.34Å; F712-N911 HydrophobicContact CZ-CB 3.71Å; F712-I1068 WeakPolarHBondContact CA-O 3.31Å; F712-I1068 HydrophobicContact CD1-CB 4.08Å; F712-I1068 HydrophobicContact CD1-CG2 3.99Å; F712-I1068 HydrophobicContact CE1-CB 4.25Å; F712-I1068 HydrophobicContact CE1-CG2 4.01Å; F712-N1070 HydrophobicContact CB-CB 3.75Å; F712-N1070 HydrophobicContact CG-CB 4.25Å; F712-A1073 HydrophobicContact CD1-CB 4.32Å; F712-A1073 HydrophobicContact CE1-CB 3.7Å; F712-A1073 HydrophobicContact CZ-CB 4.07Å |
| 713 | R | 95.1 | Very high | 92.2 | Very high | 45 Ų | 45 | 36.1 Ų | 36.1 | 17% | 0.17 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -69.2 | 160.8 | 163.1 | -179.7 | 176.1 | 65.7 | 99.2 | 0.9 | 109.1 | L715 T1067 I1068 S1069 N1070 E1249 K1253 | R713-L715 VanDerWaalsContact NH1-CD2 3.32Å; R713-T1067 HydrophobicContact CB-CG2 4.45Å; R713-T1067 PolarHBondContact NE-O 2.86Å; R713-I1068 PolarHBondContact N-O 2.64Å; R713-S1069 CarbonylContact O-C 3.56Å; R713-S1069 WeakPolarHBondContact O-CA 3.46Å; R713-N1070 PolarHBondContact O-N 3.03Å; R713-E1249 IonicContact CZ-OE1 3.36Å; R713-E1249 IonicContact CZ-OE2 3.88Å; R713-E1249 IonicContact NH1-OE1 2.61Å; R713-E1249 PolarHBondContact NH1-OE1 3.46Å; R713-E1249 IonicContact NH1-OE2 2.86Å; R713-E1249 VanDerWaalsContact NH2-CD 3.29Å; R713-E1249 IonicContact NH2-OE1 3.27Å; R713-E1249 PolarHBondContact NH2-OE1 3.38Å; R713-E1249 IonicContact NH2-OE2 3.18Å; R713-E1249 PolarHBondContact NH2-OE2 3.34Å; R713-K1253 VanDerWaalsContact NH2-CD 3.33Å |
| 714 | R | 95 | Very high | 91.6 | Very high | 39 Ų | 39 | 35.2 Ų | 35.2 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | trans | -121.3 | 143.6 | 169 | -62 | -165.2 | -177.4 | -96.1 | -2.5 | 112.4 | L716 R907 E908 N1070 H1172 | R714-L716 WeakPolarHBondContact CB-O 3.31Å; R714-R907 PolarHBondContact NH2-O 3.36Å; R714-R907 VanDerWaalsContact NH2-O 3.1Å; R714-E908 IonicContact CZ-OE1 3.33Å; R714-E908 IonicContact CZ-OE2 2.71Å; R714-E908 IonicContact NE-OE1 3.4Å; R714-E908 PolarHBondContact NE-OE1 3.47Å; R714-E908 IonicContact NE-OE2 2.75Å; R714-E908 PolarHBondContact NE-OE2 3.3Å; R714-E908 IonicContact NH2-OE1 3.36Å; R714-E908 IonicContact NH2-OE2 3.17Å; R714-E908 PolarHBondContact NH2-OE2 2.92Å; R714-N1070 HydrophobicContact CG-CB 4.47Å; R714-N1070 PolarHBondContact NH1-ND2 3.23Å; R714-N1070 PolarHBondContact NH2-ND2 3.03Å; R714-H1172 PolarHBondContact NH1-O 3.39Å; R714-H1172 PolarHBondContact NH2-O 2.96Å | ||
| 715 | L | 95.7 | Very high | 91.3 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 16% | 0.162 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -83 | -35.4 | 169.8 | -61.5 | 179.3 | 0 | 0 | 0 | 111.1 | R713 E1071 Y1180 I1246 | R713-L715 VanDerWaalsContact NH1-CD2 3.32Å; L715-E1071 HydrophobicContact CB-CG 4.28Å; L715-E1071 HydrophobicContact CD1-CB 4.06Å; L715-E1071 HydrophobicContact CD1-CG 4.22Å; L715-E1071 HydrophobicContact CG-CB 4.49Å; L715-E1071 HydrophobicContact CG-CG 4.35Å; L715-E1071 VanDerWaalsContact N-CD 3.34Å; L715-E1071 PolarHBondContact N-OE1 3.39Å; L715-E1071 PolarHBondContact N-OE2 2.86Å; L715-E1071 VanDerWaalsContact N-OE2 3.07Å; L715-Y1180 HydrophobicContact CB-CE1 4.24Å; L715-I1246 HydrophobicContact CD1-CG1 4.09Å; L715-I1246 HydrophobicContact CD1-CG2 4.05Å |
| 716 | L | 94.2 | Very high | 91 | Very high | 24 Ų | 24 | 29.4 Ų | 29.4 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -128.6 | 150 | 173 | -72.4 | 176.7 | 0 | 0 | 0 | 110.6 | R714 E1071 P1175 E1179 Y1180 I1184 | R714-L716 WeakPolarHBondContact CB-O 3.31Å; L716-E1071 PolarHBondContact N-OE1 2.75Å; L716-E1071 VanDerWaalsContact N-OE1 3.16Å; L716-P1175 HydrophobicContact CB-CG 3.95Å; L716-P1175 HydrophobicContact CD1-CB 4.34Å; L716-P1175 HydrophobicContact CD1-CG 4.29Å; L716-E1179 HydrophobicContact CD1-CB 3.91Å; L716-Y1180 HydrophobicContact CB-CE1 4Å; L716-Y1180 HydrophobicContact CD1-CD1 3.74Å; L716-Y1180 HydrophobicContact CD1-CD2 4.49Å; L716-Y1180 HydrophobicContact CD1-CE1 3.59Å; L716-Y1180 HydrophobicContact CD1-CE2 4.42Å; L716-Y1180 HydrophobicContact CD1-CG 4.21Å; L716-Y1180 HydrophobicContact CG-CD1 4.24Å; L716-Y1180 HydrophobicContact CG-CE1 3.81Å; L716-I1184 HydrophobicContact CD1-CG1 4.03Å; L716-I1184 HydrophobicContact CD2-CD1 3.64Å; L716-I1184 HydrophobicContact CD2-CG1 3.9Å; L716-I1184 HydrophobicContact CG-CD1 3.96Å; L716-I1184 HydrophobicContact CG-CG1 3.78Å |
| 717 | P | 92.2 | Very high | 91 | Very high | 86 Ų | 86 | 29.4 Ų | 29.4 | 56% | 0.558 | 16% | 0.162 | S | C | * | . | trans | -53.4 | 140.6 | 169.3 | -24.3 | 34.2 | 0 | 0 | 0 | 111 | Y906 P1175 | P717-Y906 HydrophobicContact CB-CE2 4.47Å; P717-P1175 WeakPolarHBondContact O-CG 3.16Å | ||
| 718 | P | 93.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 5% | 0.052 | 17% | 0.168 | C | C | . | . | trans | -71.2 | 156.5 | -177.1 | 29.8 | -32.1 | 0 | 0 | 0 | 112 | Y720 Y906 G1173 | P718-Y720 HydrophobicContact CB-CD2 4.3Å; P718-Y720 HydrophobicContact CB-CE2 3.96Å; P718-Y720 HydrophobicContact CG-CE2 4.21Å; P718-Y906 VanDerWaalsContact CD-CD2 3.47Å; P718-Y906 HydrophobicContact CG-CD1 3.89Å; P718-Y906 HydrophobicContact CG-CD2 3.51Å; P718-Y906 HydrophobicContact CG-CE2 4.31Å; P718-Y906 HydrophobicContact CG-CG 3.26Å; P718-G1173 CarbonylContact C-O 3.49Å; P718-G1173 WeakPolarHBondContact CA-O 3.09Å; P718-G1173 VanDerWaalsContact CB-O 3.28Å; P718-G1173 WeakPolarHBondContact CB-O 3.32Å | ||
| 719 | K | 92.8 | Very high | 90.8 | Very high | 85 Ų | 85 | 31 Ų | 31 | 37% | 0.37 | 17% | 0.173 | S | C | . | . | trans | -118.6 | 106.9 | 175.6 | -70.3 | -167.2 | 170.6 | -169.8 | 0 | 110.8 | I728 G1173 P1175 E1179 | K719-I728 HydrophobicContact CB-CD1 3.97Å; K719-I728 WeakPolarHBondContact O-CD1 3.37Å; K719-G1173 PolarHBondContact N-O 3.18Å; K719-G1173 WeakPolarHBondContact O-CA 3.38Å; K719-P1175 HydrophobicContact CD-CB 4.4Å; K719-P1175 HydrophobicContact CG-CG 4.24Å; K719-E1179 WeakPolarHBondContact CD-OE1 3.48Å; K719-E1179 WeakPolarHBondContact CE-OE1 3.35Å; K719-E1179 VanDerWaalsContact NZ-CD 3.35Å; K719-E1179 IonicContact NZ-OE1 3.8Å; K719-E1179 PolarHBondContact NZ-OE1 3.45Å; K719-E1179 IonicContact NZ-OE2 3.75Å; K719-E1179 PolarHBondContact NZ-OE2 2.87Å | ||
| 720 | Y | 91.9 | Very high | 90.9 | Very high | 14 Ų | 14 | 31.9 Ų | 31.9 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | trans | -107.1 | 152.1 | 172.4 | -70.5 | -67.5 | 0 | 0 | 0 | 110.5 | P718 N722 G723 M724 T726 Y906 R907 Q909 D1171 H1172 | P718-Y720 HydrophobicContact CB-CD2 4.3Å; P718-Y720 HydrophobicContact CB-CE2 3.96Å; P718-Y720 HydrophobicContact CG-CE2 4.21Å; Y720-N722 VanDerWaalsContact C-N 3.31Å; Y720-N722 PolarHBondContact O-N 3.16Å; Y720-G723 PolarHBondContact O-N 3.1Å; Y720-M724 VanDerWaalsContact CD2-C 3.47Å; Y720-M724 WeakPolarHBondContact CD2-O 3.3Å; Y720-M724 WeakPolarHBondContact CE2-O 3.38Å; Y720-T726 CarbonylContact C-O 3.4Å; Y720-T726 WeakPolarHBondContact CA-O 3.29Å; Y720-T726 VanDerWaalsContact CB-O 3.28Å; Y720-T726 WeakPolarHBondContact CB-O 3.34Å; Y720-T726 WeakPolarHBondContact CD1-O 3.46Å; Y720-Y906 HydrophobicContact CD2-CD1 4.44Å; Y720-R907 HydrophobicContact CE2-CB 4.07Å; Y720-R907 PolarHBondContact OH-O 3.05Å; Y720-Q909 PolarHBondContact OH-NE2 3.32Å; Y720-Q909 VanDerWaalsContact OH-NE2 3.08Å; Y720-D1171 WeakPolarHBondContact CE1-O 3.37Å; Y720-H1172 PolarHBondContact OH-O 3.08Å | ||
| 721 | E | 90.5 | Very high | 91 | Very high | 23 Ų | 23 | 33.7 Ų | 33.7 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -38.1 | -177.8 | -173.3 | 175.3 | 103.9 | 0 | 0 | 113.2 | T726 P727 G729 W730 S731 K734 Y736 | E721-T726 HydrophobicContact CB-CG2 4.01Å; E721-T726 WeakPolarHBondContact CB-O 3.42Å; E721-T726 PolarHBondContact N-O 2.84Å; E721-P727 WeakPolarHBondContact CB-O 3.43Å; E721-G729 PolarHBondContact OE2-N 3.18Å; E721-W730 PolarHBondContact OE2-N 2.95Å; E721-S731 VanDerWaalsContact OE1-CB 3.23Å; E721-S731 WeakPolarHBondContact OE1-CB 3.48Å; E721-S731 PolarHBondContact OE1-N 3.49Å; E721-S731 PolarHBondContact OE1-OG 3.24Å; E721-S731 PolarHBondContact OE2-N 3.27Å; E721-K734 HydrophobicContact CG-CD 3.49Å; E721-K734 VanDerWaalsContact CG-CD 3.49Å; E721-K734 PolarHBondContact O-NZ 3.2Å; E721-Y736 WeakPolarHBondContact CG-OH 3.36Å; E721-Y736 PolarHBondContact OE2-OH 3.07Å |
| 722 | N | 82.8 | Confident | 90.6 | Very high | 56 Ų | 56 | 35.5 Ų | 35.5 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 7.4 | 174.8 | 70.4 | -18.4 | 0 | 0 | 0 | 112.8 | N648 Y720 M724 N725 T726 | N648-N722 PolarHBondContact ND2-O 3.21Å; Y720-N722 VanDerWaalsContact C-N 3.31Å; Y720-N722 PolarHBondContact O-N 3.16Å; N722-M724 VanDerWaalsContact C-N 3.27Å; N722-M724 PolarHBondContact O-N 3.28Å; N722-M724 PolarHBondContact OD1-N 3.44Å; N722-N725 PolarHBondContact ND2-OD1 2.67Å; N722-N725 PolarHBondContact OD1-N 2.92Å; N722-T726 VanDerWaalsContact CG-OG1 3.25Å; N722-T726 PolarHBondContact ND2-OG1 3.19Å; N722-T726 VanDerWaalsContact ND2-OG1 3.12Å; N722-T726 WeakPolarHBondContact OD1-CB 3.06Å; N722-T726 PolarHBondContact OD1-N 3.19Å; N722-T726 PolarHBondContact OD1-OG1 3.15Å |
| 723 | G | 81.3 | Confident | 90.2 | Very high | 27 Ų | 27 | 40.9 Ų | 40.9 | 28% | 0.278 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 77.4 | -2.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y720 Y906 | Y720-G723 PolarHBondContact O-N 3.1Å; G723-Y906 WeakPolarHBondContact O-CD1 3.48Å; G723-Y906 WeakPolarHBondContact O-CE1 3.41Å |
| 724 | M | 80.3 | Confident | 89.9 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 7% | 0.069 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -126.8 | -57.5 | -174.1 | -64.4 | -60.6 | -65.8 | 0 | 0 | 114.3 | Y720 N722 G895 S898 I899 P904 R907 | Y720-M724 VanDerWaalsContact CD2-C 3.47Å; Y720-M724 WeakPolarHBondContact CD2-O 3.3Å; Y720-M724 WeakPolarHBondContact CE2-O 3.38Å; N722-M724 VanDerWaalsContact C-N 3.27Å; N722-M724 PolarHBondContact O-N 3.28Å; N722-M724 PolarHBondContact OD1-N 3.44Å; M724-G895 WeakPolarHBondContact CE-O 3.41Å; M724-S898 VanDerWaalsContact CE-OG 3.3Å; M724-S898 WeakPolarHBondContact CE-OG 3.48Å; M724-I899 HydrophobicContact CE-CD1 3.99Å; M724-I899 HydrophobicContact CE-CG1 3.78Å; M724-P904 HydrophobicContact CE-CB 4.02Å; M724-P904 HydrophobicContact SD-CB 4.33Å; M724-R907 PolarHBondContact O-N 2.96Å |
| 725 | N | 84.3 | Confident | 89.9 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 8% | 0.075 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -151 | -14 | -169.8 | 66 | -18.3 | 0 | 0 | 0 | 115.2 | N722 P727 R887 S896 R907 | N722-N725 PolarHBondContact ND2-OD1 2.67Å; N722-N725 PolarHBondContact OD1-N 2.92Å; N725-P727 WeakPolarHBondContact O-CD 3.25Å; N725-R887 PolarHBondContact O-NH1 3.44Å; N725-R887 PolarHBondContact O-NH2 3.07Å; N725-S896 PolarHBondContact ND2-OG 3.24Å; N725-S896 VanDerWaalsContact ND2-OG 3.13Å; N725-R907 HydrophobicContact CB-CB 3.69Å; N725-R907 HydrophobicContact CB-CG 4.45Å |
| 726 | T | 90.2 | Very high | 89.6 | Confident | 29 Ų | 29 | 46 Ų | 46 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 119.2 | 179.9 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | Y720 E721 N722 W730 | Y720-T726 CarbonylContact C-O 3.4Å; Y720-T726 WeakPolarHBondContact CA-O 3.29Å; Y720-T726 VanDerWaalsContact CB-O 3.28Å; Y720-T726 WeakPolarHBondContact CB-O 3.34Å; Y720-T726 WeakPolarHBondContact CD1-O 3.46Å; E721-T726 HydrophobicContact CB-CG2 4.01Å; E721-T726 WeakPolarHBondContact CB-O 3.42Å; E721-T726 PolarHBondContact N-O 2.84Å; N722-T726 VanDerWaalsContact CG-OG1 3.25Å; N722-T726 PolarHBondContact ND2-OG1 3.19Å; N722-T726 VanDerWaalsContact ND2-OG1 3.12Å; N722-T726 WeakPolarHBondContact OD1-CB 3.06Å; N722-T726 PolarHBondContact OD1-N 3.19Å; N722-T726 PolarHBondContact OD1-OG1 3.15Å; T726-W730 HydrophobicContact CG2-CB 3.42Å; T726-W730 VanDerWaalsContact CG2-CB 3.42Å; T726-W730 HydrophobicContact CG2-CD2 3.91Å; T726-W730 HydrophobicContact CG2-CG 3.42Å; T726-W730 VanDerWaalsContact CG2-CG 3.42Å |
| 727 | P | 94.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 147.3 | 179.5 | -27.8 | 37.5 | 0 | 0 | 0 | 113.5 | E721 N725 G729 W730 F867 R1170 | E721-P727 WeakPolarHBondContact CB-O 3.43Å; N725-P727 WeakPolarHBondContact O-CD 3.25Å; P727-G729 PolarHBondContact O-N 3.44Å; P727-W730 HydrophobicContact CG-CE3 4.35Å; P727-W730 VanDerWaalsContact O-CB 3.3Å; P727-W730 WeakPolarHBondContact O-CB 3.26Å; P727-W730 PolarHBondContact O-N 3.27Å; P727-F867 HydrophobicContact CB-CD1 3.97Å; P727-F867 HydrophobicContact CB-CE1 3.44Å; P727-F867 VanDerWaalsContact CB-CE1 3.44Å; P727-F867 HydrophobicContact CB-CZ 3.78Å; P727-F867 HydrophobicContact CG-CD1 3.99Å; P727-F867 HydrophobicContact CG-CE1 4Å; P727-R1170 WeakPolarHBondContact CB-O 3.46Å |
| 728 | I | 94.1 | Very high | 89.5 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 14% | 0.138 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 131 | 170.4 | -75.8 | 177.2 | 0 | 0 | 0 | 110.1 | K719 Y736 K741 | K719-I728 HydrophobicContact CB-CD1 3.97Å; K719-I728 WeakPolarHBondContact O-CD1 3.37Å; I728-Y736 HydrophobicContact CD1-CE1 4.48Å; I728-Y736 HydrophobicContact CG1-CE1 4.14Å; I728-Y736 HydrophobicContact CG2-CD1 4.45Å; I728-Y736 HydrophobicContact CG2-CE1 3.89Å; I728-Y736 HydrophobicContact CG2-CE2 4.12Å; I728-K741 HydrophobicContact CG2-CD 3.89Å; I728-K741 HydrophobicContact CG2-CG 4.17Å |
| 729 | G | 91.5 | Very high | 89.5 | Confident | 20 Ų | 20 | 53.7 Ų | 53.7 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 14.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E721 P727 Y736 | E721-G729 PolarHBondContact OE2-N 3.18Å; P727-G729 PolarHBondContact O-N 3.44Å; G729-Y736 PolarHBondContact N-OH 3.31Å; G729-Y736 VanDerWaalsContact N-OH 3.1Å |
| 730 | W | 92.7 | Very high | 89.5 | Confident | 56 Ų | 56 | 53 Ų | 53 | 21% | 0.212 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -64.6 | -44.2 | 169.7 | -174.9 | -88.7 | 0 | 0 | 0 | 111 | E721 T726 P727 N862 P864 F867 | E721-W730 PolarHBondContact OE2-N 2.95Å; T726-W730 HydrophobicContact CG2-CB 3.42Å; T726-W730 VanDerWaalsContact CG2-CB 3.42Å; T726-W730 HydrophobicContact CG2-CD2 3.91Å; T726-W730 HydrophobicContact CG2-CG 3.42Å; T726-W730 VanDerWaalsContact CG2-CG 3.42Å; P727-W730 HydrophobicContact CG-CE3 4.35Å; P727-W730 VanDerWaalsContact O-CB 3.3Å; P727-W730 WeakPolarHBondContact O-CB 3.26Å; P727-W730 PolarHBondContact O-N 3.27Å; W730-N862 HydrophobicContact CD2-CB 3.7Å; W730-N862 VanDerWaalsContact CE2-CB 3.46Å; W730-N862 HydrophobicContact CE3-CB 3.91Å; W730-N862 HydrophobicContact CG-CB 4.4Å; W730-N862 VanDerWaalsContact CH2-C 3.49Å; W730-N862 HydrophobicContact CH2-CB 3.72Å; W730-N862 HydrophobicContact CZ2-CB 3.5Å; W730-N862 VanDerWaalsContact CZ2-CB 3.5Å; W730-N862 VanDerWaalsContact CZ2-O 3.28Å; W730-N862 WeakPolarHBondContact CZ2-O 3.36Å; W730-N862 HydrophobicContact CZ3-CB 3.91Å; W730-N862 PolarHBondContact O-ND2 3.04Å; W730-P864 HydrophobicContact CH2-CG 4.33Å; W730-F867 AromaticContact CE3-CD2 3.7Å; W730-F867 HydrophobicContact CE3-CD2 3.7Å; W730-F867 HydrophobicContact CE3-CE2 4.11Å; W730-F867 HydrophobicContact CE3-CG 4.21Å; W730-F867 HydrophobicContact CZ3-CB 4.09Å; W730-F867 HydrophobicContact CZ3-CD2 4.02Å; W730-F867 HydrophobicContact CZ3-CG 4.22Å |
| 731 | S | 90.7 | Very high | 89.6 | Confident | 47 Ų | 47 | 54 Ų | 54 | 33% | 0.329 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -91.1 | 110.7 | 173.2 | -59.4 | 0 | 0 | 0 | 0 | 109.9 | E721 T733 K734 | E721-S731 VanDerWaalsContact OE1-CB 3.23Å; E721-S731 WeakPolarHBondContact OE1-CB 3.48Å; E721-S731 PolarHBondContact OE1-N 3.49Å; E721-S731 PolarHBondContact OE1-OG 3.24Å; E721-S731 PolarHBondContact OE2-N 3.27Å; S731-T733 PolarHBondContact O-N 3.21Å; S731-T733 VanDerWaalsContact O-N 3.11Å; S731-K734 PolarHBondContact O-N 3.4Å; S731-K734 VanDerWaalsContact O-N 3.15Å |
| 732 | S | 84.2 | Confident | 89.9 | Confident | 92 Ų | 92 | 53.5 Ų | 53.5 | 64% | 0.643 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.4 | -177.2 | 60 | 0 | 0 | 0 | 0 | 114.5 | ||
| 733 | T | 85.9 | Confident | 90.5 | Very high | 121 Ų | 121 | 52.1 Ų | 52.1 | 74% | 0.742 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -8.6 | -179.1 | 54.6 | 0 | 0 | 0 | 0 | 113.9 | S731 L735 | S731-T733 PolarHBondContact O-N 3.21Å; S731-T733 VanDerWaalsContact O-N 3.11Å; T733-L735 PolarHBondContact O-N 2.85Å |
| 734 | K | 90.2 | Very high | 91.2 | Very high | 84 Ų | 84 | 50.9 Ų | 50.9 | 37% | 0.365 | 29% | 0.287 | S | S | . | . | trans | -73.3 | 131.4 | -178.4 | -171 | 171 | -179.6 | 164.4 | 0 | 110.4 | E721 S731 Y736 | E721-K734 HydrophobicContact CG-CD 3.49Å; E721-K734 VanDerWaalsContact CG-CD 3.49Å; E721-K734 PolarHBondContact O-NZ 3.2Å; S731-K734 PolarHBondContact O-N 3.4Å; S731-K734 VanDerWaalsContact O-N 3.15Å; K734-Y736 HydrophobicContact CB-CE2 4.33Å; K734-Y736 HydrophobicContact CG-CE2 4.34Å | ||
| 735 | L | 93.5 | Very high | 92 | Very high | 105 Ų | 105 | 50.2 Ų | 50.2 | 55% | 0.55 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 139 | -179.6 | -55.7 | -179.4 | 0 | 0 | 0 | 110.9 | T733 Y739 P740 | T733-L735 PolarHBondContact O-N 2.85Å; L735-Y739 WeakPolarHBondContact CA-O 3.48Å; L735-P740 HydrophobicContact CD2-CB 4.22Å; L735-P740 HydrophobicContact CD2-CG 4.49Å |
| 736 | Y | 90.8 | Very high | 92.5 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 120.6 | 174.3 | -56.6 | -90.7 | 0 | 0 | 0 | 107.3 | E721 I728 G729 K734 G738 Y739 K741 N1221 | E721-Y736 WeakPolarHBondContact CG-OH 3.36Å; E721-Y736 PolarHBondContact OE2-OH 3.07Å; I728-Y736 HydrophobicContact CD1-CE1 4.48Å; I728-Y736 HydrophobicContact CG1-CE1 4.14Å; I728-Y736 HydrophobicContact CG2-CD1 4.45Å; I728-Y736 HydrophobicContact CG2-CE1 3.89Å; I728-Y736 HydrophobicContact CG2-CE2 4.12Å; G729-Y736 PolarHBondContact N-OH 3.31Å; G729-Y736 VanDerWaalsContact N-OH 3.1Å; K734-Y736 HydrophobicContact CB-CE2 4.33Å; K734-Y736 HydrophobicContact CG-CE2 4.34Å; Y736-G738 PolarHBondContact O-N 3Å; Y736-G738 VanDerWaalsContact O-N 3.16Å; Y736-Y739 PolarHBondContact N-O 2.97Å; Y736-Y739 PolarHBondContact O-N 2.91Å; Y736-Y739 VanDerWaalsContact O-O 3.07Å; Y736-K741 HydrophobicContact CD2-CB 4.02Å; Y736-K741 HydrophobicContact CE2-CB 3.97Å; Y736-N1221 WeakPolarHBondContact CB-OD1 3.23Å; Y736-N1221 PolarHBondContact O-ND2 3.19Å; Y736-N1221 PolarHBondContact O-OD1 3.32Å |
| 737 | F | 91.7 | Very high | 92.8 | Very high | 113 Ų | 113 | 50.3 Ų | 50.3 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 36.4 | -172 | -55 | -88.7 | 0 | 0 | 0 | 113.1 | Y739 H1218 N1221 | F737-Y739 WeakPolarHBondContact O-CD2 3.27Å; F737-Y739 PolarHBondContact O-N 3.5Å; F737-H1218 HydrophobicContact CB-CB 3.75Å; F737-H1218 AromaticContact CD1-CE1 3.65Å; F737-H1218 AromaticContact CD1-ND1 3.65Å; F737-H1218 AromaticContact CG-CE1 3.98Å; F737-H1218 AromaticContact CG-ND1 3.49Å; F737-H1218 WeakPolarHBondContact CG-ND1 3.41Å; F737-N1221 WeakPolarHBondContact CD2-OD1 3.39Å |
| 738 | G | 91.8 | Very high | 92.9 | Very high | 56 Ų | 56 | 50.3 Ų | 50.3 | 58% | 0.577 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -1.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | Y736 | Y736-G738 PolarHBondContact O-N 3Å; Y736-G738 VanDerWaalsContact O-N 3.16Å |
| 739 | Y | 93.5 | Very high | 92.9 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 44% | 0.439 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.7 | -177.8 | -60.6 | -89 | 0 | 0 | 0 | 112.3 | L735 Y736 F737 G1217 H1218 | L735-Y739 WeakPolarHBondContact CA-O 3.48Å; Y736-Y739 PolarHBondContact N-O 2.97Å; Y736-Y739 PolarHBondContact O-N 2.91Å; Y736-Y739 VanDerWaalsContact O-O 3.07Å; F737-Y739 WeakPolarHBondContact O-CD2 3.27Å; F737-Y739 PolarHBondContact O-N 3.5Å; Y739-G1217 WeakPolarHBondContact CE2-O 3.14Å; Y739-H1218 HydrophobicContact CD2-CB 3.92Å; Y739-H1218 HydrophobicContact CE2-CB 4.09Å |
| 740 | P | 92.9 | Very high | 93 | Very high | 70 Ų | 70 | 53 Ų | 53 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 147.7 | 171 | 29.5 | -34 | 0 | 0 | 0 | 110.3 | L735 | L735-P740 HydrophobicContact CD2-CB 4.22Å; L735-P740 HydrophobicContact CD2-CG 4.49Å |
| 741 | K | 94.8 | Very high | 93.2 | Very high | 35 Ų | 35 | 51 Ų | 51 | 15% | 0.152 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 125.1 | 175.4 | -167.3 | 77 | 175.1 | -172.7 | 0 | 109.4 | I728 Y736 R1170 N1221 D1223 | I728-K741 HydrophobicContact CG2-CD 3.89Å; I728-K741 HydrophobicContact CG2-CG 4.17Å; Y736-K741 HydrophobicContact CD2-CB 4.02Å; Y736-K741 HydrophobicContact CE2-CB 3.97Å; K741-R1170 VanDerWaalsContact CE-NE 3.31Å; K741-N1221 PolarHBondContact NZ-O 3.11Å; K741-D1223 WeakPolarHBondContact CE-OD1 3.34Å; K741-D1223 IonicContact NZ-OD1 2.84Å; K741-D1223 PolarHBondContact NZ-OD1 3.14Å; K741-D1223 IonicContact NZ-OD2 3.92Å |
| 742 | P | 95.6 | Very high | 93.4 | Very high | 12 Ų | 12 | 48.8 Ų | 48.8 | 8% | 0.078 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 151.4 | -179 | 28 | -35.8 | 0 | 0 | 0 | 111.6 | L746 V747 R1170 V1215 Y1216 | P742-L746 HydrophobicContact CB-CD2 4.19Å; P742-V747 HydrophobicContact CB-CG2 4.22Å; P742-V747 HydrophobicContact CG-CG2 3.87Å; P742-R1170 VanDerWaalsContact O-CZ 3.3Å; P742-R1170 PolarHBondContact O-NH1 2.93Å; P742-R1170 PolarHBondContact O-NH2 3.23Å; P742-V1215 HydrophobicContact CB-CG1 3.96Å; P742-V1215 WeakPolarHBondContact CB-O 3.48Å; P742-V1215 HydrophobicContact CG-CG1 3.96Å; P742-V1215 WeakPolarHBondContact CG-O 3.44Å; P742-Y1216 HydrophobicContact CG-CD1 3.61Å; P742-Y1216 HydrophobicContact CG-CE1 3.68Å; P742-Y1216 HydrophobicContact CG-CG 4.3Å |
| 743 | S | 95.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -63.9 | 145.4 | 174.3 | 86.5 | 0 | 0 | 0 | 0 | 111 | R745 L746 V747 L870 | S743-R745 PolarHBondContact O-N 2.91Å; S743-L746 WeakPolarHBondContact O-CB 3.47Å; S743-L746 PolarHBondContact O-N 3.1Å; S743-L746 PolarHBondContact OG-N 2.93Å; S743-V747 PolarHBondContact O-N 3.19Å; S743-V747 VanDerWaalsContact O-N 3.13Å; S743-L870 WeakPolarHBondContact CB-O 3.32Å; S743-L870 PolarHBondContact OG-O 3.38Å |
| 744 | A | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -30.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V747 S748 I869 A1163 V1166 Q1167 | A744-V747 PolarHBondContact O-N 3.02Å; A744-S748 PolarHBondContact O-N 2.96Å; A744-I869 HydrophobicContact CB-CG2 3.99Å; A744-A1163 HydrophobicContact CB-CB 4.15Å; A744-A1163 VanDerWaalsContact CB-O 3.3Å; A744-A1163 WeakPolarHBondContact CB-O 3.34Å; A744-V1166 HydrophobicContact CB-CB 3.93Å; A744-V1166 HydrophobicContact CB-CG1 3.78Å; A744-Q1167 HydrophobicContact CB-CB 4.16Å |
| 745 | R | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -68.1 | -38.1 | 173.2 | 177.7 | 58.7 | 178.7 | 171.2 | 0.8 | 112.3 | S743 V747 S748 R749 I869 I871 D875 T1147 E1148 D1160 | S743-R745 PolarHBondContact O-N 2.91Å; R745-V747 VanDerWaalsContact C-N 3.33Å; R745-S748 PolarHBondContact O-N 3.15Å; R745-R749 WeakPolarHBondContact O-CB 3.32Å; R745-R749 PolarHBondContact O-N 3.49Å; R745-I869 HydrophobicContact CB-CG2 4.01Å; R745-I871 HydrophobicContact CB-CD1 4.05Å; R745-I871 HydrophobicContact CG-CD1 3.9Å; R745-D875 WeakPolarHBondContact CG-OD2 3.43Å; R745-D875 IonicContact CZ-OD2 3.42Å; R745-D875 IonicContact NE-OD2 2.7Å; R745-D875 PolarHBondContact NE-OD2 2.83Å; R745-D875 IonicContact NH2-OD1 3.7Å; R745-D875 IonicContact NH2-OD2 2.79Å; R745-D875 PolarHBondContact NH2-OD2 2.95Å; R745-T1147 PolarHBondContact NH1-O 2.93Å; R745-E1148 IonicContact CZ-OE1 3.97Å; R745-E1148 IonicContact CZ-OE2 2.77Å; R745-E1148 IonicContact NH1-OE1 2.67Å; R745-E1148 PolarHBondContact NH1-OE1 3.05Å; R745-E1148 IonicContact NH1-OE2 2.99Å; R745-E1148 PolarHBondContact NH1-OE2 3.31Å; R745-E1148 IonicContact NH2-OE1 3.28Å; R745-E1148 PolarHBondContact NH2-OE1 2.64Å; R745-E1148 IonicContact NH2-OE2 3.44Å; R745-E1148 PolarHBondContact NH2-OE2 3.4Å; R745-D1160 VanDerWaalsContact CD-OD2 3.29Å; R745-D1160 WeakPolarHBondContact CD-OD2 3.38Å; R745-D1160 IonicContact CZ-OD2 3.18Å; R745-D1160 IonicContact NE-OD2 3.52Å; R745-D1160 IonicContact NH1-OD2 3.71Å; R745-D1160 PolarHBondContact NH1-OD2 3.5Å |
| 746 | L | 96 | Very high | 93.3 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 24% | 0.236 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 174.1 | -175.1 | 63 | 0 | 0 | 0 | 110.9 | P742 S743 S748 R749 E750 P872 | P742-L746 HydrophobicContact CB-CD2 4.19Å; S743-L746 WeakPolarHBondContact O-CB 3.47Å; S743-L746 PolarHBondContact O-N 3.1Å; S743-L746 PolarHBondContact OG-N 2.93Å; L746-S748 VanDerWaalsContact C-N 3.35Å; L746-S748 PolarHBondContact O-N 2.8Å; L746-R749 PolarHBondContact O-N 3.41Å; L746-E750 HydrophobicContact CD1-CG 3.69Å; L746-E750 HydrophobicContact CG-CG 4.23Å; L746-E750 WeakPolarHBondContact O-CB 3.35Å; L746-E750 VanDerWaalsContact O-CG 3.31Å; L746-E750 WeakPolarHBondContact O-CG 3.41Å; L746-E750 PolarHBondContact O-N 3.33Å; L746-P872 HydrophobicContact CB-CG 3.84Å; L746-P872 HydrophobicContact CD1-CG 4.03Å; L746-P872 HydrophobicContact CG-CG 4.49Å |
| 747 | V | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 175.2 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | P742 S743 A744 R745 L751 L752 V1166 V1215 Y1216 T1226 | P742-V747 HydrophobicContact CB-CG2 4.22Å; P742-V747 HydrophobicContact CG-CG2 3.87Å; S743-V747 PolarHBondContact O-N 3.19Å; S743-V747 VanDerWaalsContact O-N 3.13Å; A744-V747 PolarHBondContact O-N 3.02Å; R745-V747 VanDerWaalsContact C-N 3.33Å; V747-L751 HydrophobicContact CG1-CD1 4.29Å; V747-L751 WeakPolarHBondContact O-CB 3.35Å; V747-L751 PolarHBondContact O-N 2.9Å; V747-L752 HydrophobicContact CG1-CD1 4.33Å; V747-V1166 HydrophobicContact CG1-CG2 3.99Å; V747-V1215 HydrophobicContact CG2-CG1 3.87Å; V747-Y1216 HydrophobicContact CG1-CE2 4.36Å; V747-Y1216 WeakPolarHBondContact CG1-OH 3.29Å; V747-Y1216 HydrophobicContact CG2-CE1 4.28Å; V747-Y1216 HydrophobicContact CG2-CE2 4.3Å; V747-T1226 HydrophobicContact CG1-CG2 3.84Å; V747-T1226 WeakPolarHBondContact CG1-OG1 3.36Å |
| 748 | S | 96.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -57.3 | -53.4 | 177.1 | 178.4 | 0 | 0 | 0 | 0 | 112 | A744 R745 L746 E750 L752 G753 D1160 A1162 | A744-S748 PolarHBondContact O-N 2.96Å; R745-S748 PolarHBondContact O-N 3.15Å; L746-S748 VanDerWaalsContact C-N 3.35Å; L746-S748 PolarHBondContact O-N 2.8Å; S748-E750 PolarHBondContact O-N 2.97Å; S748-L752 CarbonylContact O-C 3.2Å; S748-L752 PolarHBondContact O-N 3.06Å; S748-G753 PolarHBondContact O-N 3.34Å; S748-D1160 WeakPolarHBondContact CB-OD2 3.43Å; S748-D1160 VanDerWaalsContact OG-CG 3.26Å; S748-D1160 PolarHBondContact OG-OD1 3.12Å; S748-D1160 PolarHBondContact OG-OD2 3.39Å; S748-A1162 WeakPolarHBondContact OG-CB 3.35Å |
| 749 | R | 93.2 | Very high | 92.2 | Very high | 46 Ų | 46 | 37.8 Ų | 37.8 | 17% | 0.174 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -61.8 | -42.6 | -175.9 | -172.8 | -175.5 | 79.9 | -177.5 | 10.8 | 113.4 | R745 L746 D874 | R745-R749 WeakPolarHBondContact O-CB 3.32Å; R745-R749 PolarHBondContact O-N 3.49Å; L746-R749 PolarHBondContact O-N 3.41Å; R749-D874 IonicContact CZ-OD1 3.78Å; R749-D874 IonicContact CZ-OD2 3.46Å; R749-D874 IonicContact NH1-OD1 2.74Å; R749-D874 PolarHBondContact NH1-OD1 3.11Å; R749-D874 IonicContact NH1-OD2 3.86Å; R749-D874 PolarHBondContact NH1-OD2 2.9Å; R749-D874 IonicContact NH2-OD1 3.07Å; R749-D874 PolarHBondContact NH2-OD1 3.4Å; R749-D874 IonicContact NH2-OD2 3.83Å; R749-D874 PolarHBondContact NH2-OD2 2.8Å |
| 750 | E | 94.4 | Very high | 91.9 | Very high | 58 Ų | 58 | 39 Ų | 39 | 27% | 0.271 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -88.7 | -25.2 | -171.3 | -63.2 | -64.9 | 142.6 | 0 | 0 | 113.2 | L746 S748 R1214 V1215 | L746-E750 HydrophobicContact CD1-CG 3.69Å; L746-E750 HydrophobicContact CG-CG 4.23Å; L746-E750 WeakPolarHBondContact O-CB 3.35Å; L746-E750 VanDerWaalsContact O-CG 3.31Å; L746-E750 WeakPolarHBondContact O-CG 3.41Å; L746-E750 PolarHBondContact O-N 3.33Å; S748-E750 PolarHBondContact O-N 2.97Å; E750-R1214 IonicContact OE2-CZ 2.86Å; E750-R1214 IonicContact OE2-NE 2.79Å; E750-R1214 IonicContact OE2-NH2 3.08Å; E750-R1214 PolarHBondContact OE2-NH2 3.47Å; E750-V1215 HydrophobicContact CB-CG2 3.58Å; E750-V1215 HydrophobicContact CG-CG2 3.98Å |
| 751 | L | 95.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -123.6 | -33.1 | -170.5 | -58.6 | 174.6 | 0 | 0 | 0 | 114.8 | V747 G1211 L1212 V1215 Y1216 T1226 L1230 | V747-L751 HydrophobicContact CG1-CD1 4.29Å; V747-L751 WeakPolarHBondContact O-CB 3.35Å; V747-L751 PolarHBondContact O-N 2.9Å; L751-G1211 VanDerWaalsContact CD2-C 3.49Å; L751-L1212 HydrophobicContact CD1-CD2 3.79Å; L751-L1212 HydrophobicContact CD1-CG 4.49Å; L751-V1215 HydrophobicContact CD1-CB 4.18Å; L751-V1215 HydrophobicContact CD1-CG1 4.19Å; L751-V1215 HydrophobicContact CD1-CG2 4.32Å; L751-V1215 HydrophobicContact CG-CG2 4.26Å; L751-Y1216 HydrophobicContact CD1-CD2 4.29Å; L751-Y1216 HydrophobicContact CD1-CE2 3.88Å; L751-T1226 HydrophobicContact CD1-CG2 3.97Å; L751-L1230 HydrophobicContact CB-CD1 4.26Å; L751-L1230 HydrophobicContact CD1-CD1 4.48Å |
| 752 | L | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -115.5 | -24.6 | -165.3 | -59.8 | 176.2 | 0 | 0 | 0 | 114.5 | V747 S748 S1141 L1142 A1162 V1166 F1225 T1226 I1229 L1230 | V747-L752 HydrophobicContact CG1-CD1 4.33Å; S748-L752 CarbonylContact O-C 3.2Å; S748-L752 PolarHBondContact O-N 3.06Å; L752-S1141 PolarHBondContact O-N 3.37Å; L752-L1142 HydrophobicContact CB-CD1 4.31Å; L752-L1142 PolarHBondContact O-N 3.09Å; L752-A1162 HydrophobicContact CB-CB 4.1Å; L752-A1162 HydrophobicContact CD1-CB 3.96Å; L752-V1166 HydrophobicContact CD1-CG2 4.39Å; L752-F1225 HydrophobicContact CD1-CD1 4.29Å; L752-F1225 HydrophobicContact CD1-CE1 4.04Å; L752-T1226 HydrophobicContact CD2-CG2 4.4Å; L752-I1229 HydrophobicContact CD2-CB 4.46Å; L752-I1229 HydrophobicContact CD2-CG2 4.02Å; L752-L1230 HydrophobicContact CD2-CD2 4.25Å; L752-L1230 HydrophobicContact CD2-CG 4.29Å |
| 753 | G | 92.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 6% | 0.062 | 21% | 0.213 | C | C | . | . | trans | -132.2 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S748 | S748-G753 PolarHBondContact O-N 3.34Š| ||
| 754 | N | 89.5 | Confident | 90.7 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 34% | 0.342 | 22% | 0.219 | S | C | . | . | trans | -149.1 | 107.8 | 170.5 | -176 | -12.4 | 0 | 0 | 0 | 110.4 | S756 L757 P1140 | N754-S756 VanDerWaalsContact CG-OG 3.28Å; N754-S756 PolarHBondContact ND2-OG 3.01Å; N754-S756 PolarHBondContact O-N 3.35Å; N754-S756 WeakPolarHBondContact OD1-CB 3.37Å; N754-S756 PolarHBondContact OD1-N 3.31Å; N754-S756 PolarHBondContact OD1-OG 3.31Å; N754-L757 HydrophobicContact CB-CD1 4.15Å; N754-L757 HydrophobicContact CB-CG 4.29Å; N754-L757 PolarHBondContact O-N 3.1Å; N754-P1140 HydrophobicContact CB-CB 4.3Å; N754-P1140 HydrophobicContact CB-CG 3.73Å | ||
| 755 | A | 84.7 | Confident | 90.3 | Very high | 26 Ų | 26 | 41 Ų | 41 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | L757 M758 E1148 | A755-L757 PolarHBondContact O-N 3.28Å; A755-M758 WeakPolarHBondContact O-CB 3.26Å; A755-M758 PolarHBondContact O-N 2.03Å; A755-E1148 HydrophobicContact CB-CG 3.91Å |
| 756 | S | 84.7 | Confident | 89.9 | Confident | 83 Ų | 83 | 46.2 Ų | 46.2 | 58% | 0.58 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.2 | -21.3 | -178.9 | 67.2 | 0 | 0 | 0 | 0 | 113.8 | N754 M758 | N754-S756 VanDerWaalsContact CG-OG 3.28Å; N754-S756 PolarHBondContact ND2-OG 3.01Å; N754-S756 PolarHBondContact O-N 3.35Å; N754-S756 WeakPolarHBondContact OD1-CB 3.37Å; N754-S756 PolarHBondContact OD1-N 3.31Å; N754-S756 PolarHBondContact OD1-OG 3.31Å; S756-M758 VanDerWaalsContact C-N 3.35Å |
| 757 | L | 84.9 | Confident | 89.6 | Confident | 75 Ų | 75 | 47 Ų | 47 | 39% | 0.393 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -78.2 | -19.6 | -179.2 | -62.2 | 178.5 | 0 | 0 | 0 | 113.3 | N754 A755 K760 L761 P1140 | N754-L757 HydrophobicContact CB-CD1 4.15Å; N754-L757 HydrophobicContact CB-CG 4.29Å; N754-L757 PolarHBondContact O-N 3.1Å; A755-L757 PolarHBondContact O-N 3.28Å; L757-K760 PolarHBondContact O-N 3.39Å; L757-L761 WeakPolarHBondContact O-CB 3.37Å; L757-L761 PolarHBondContact O-N 3.43Å; L757-P1140 HydrophobicContact CD1-CG 4.12Å |
| 758 | M | 83.5 | Confident | 89.3 | Confident | 38 Ų | 38 | 49.5 Ų | 49.5 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -48.3 | -174.9 | -178.8 | -168.9 | 62.3 | 0 | 0 | 112.8 | A755 S756 L761 T762 S1144 E1148 R1149 | A755-M758 WeakPolarHBondContact O-CB 3.26Å; A755-M758 PolarHBondContact O-N 2.03Å; S756-M758 VanDerWaalsContact C-N 3.35Å; M758-L761 PolarHBondContact O-N 3.42Å; M758-T762 PolarHBondContact O-N 3.1Å; M758-T762 PolarHBondContact O-OG1 2.85Å; M758-S1144 VanDerWaalsContact CA-OG 3.28Å; M758-S1144 WeakPolarHBondContact CA-OG 3.32Å; M758-S1144 PolarHBondContact N-OG 3Å; M758-E1148 HydrophobicContact SD-CB 3.92Å; M758-R1149 HydrophobicContact CG-CG 4.43Å; M758-R1149 HydrophobicContact SD-CG 3.74Å; M758-R1149 PolarHBondContact SD-NE 3.38Å |
| 759 | V | 84.3 | Confident | 88.9 | Confident | 81 Ų | 81 | 50.7 Ų | 50.7 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | -179.1 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | L761 T762 N763 | V759-L761 PolarHBondContact O-N 3.19Å; V759-T762 PolarHBondContact O-N 2.77Å; V759-N763 VanDerWaalsContact O-CG 3.25Å; V759-N763 PolarHBondContact O-N 3.14Å; V759-N763 PolarHBondContact O-ND2 3.24Å |
| 760 | K | 86.4 | Confident | 88.6 | Confident | 137 Ų | 137 | 54.8 Ų | 54.8 | 60% | 0.596 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59 | -49.5 | 177.5 | -174.4 | -179.2 | 177.3 | -174.8 | 0 | 111.2 | L757 N763 M764 | L757-K760 PolarHBondContact O-N 3.39Å; K760-N763 PolarHBondContact O-N 3.47Å; K760-M764 HydrophobicContact CG-SD 3.97Å; K760-M764 VanDerWaalsContact O-CG 3.27Å; K760-M764 WeakPolarHBondContact O-CG 3.21Å; K760-M764 PolarHBondContact O-N 2.83Å |
| 761 | L | 86.8 | Confident | 88.1 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 7% | 0.068 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.7 | -48 | 177.9 | 174.7 | 71.1 | 0 | 0 | 0 | 111.9 | L757 M758 V759 N763 M764 V765 P1086 I1087 L1104 E1145 | L757-L761 WeakPolarHBondContact O-CB 3.37Å; L757-L761 PolarHBondContact O-N 3.43Å; M758-L761 PolarHBondContact O-N 3.42Å; V759-L761 PolarHBondContact O-N 3.19Å; L761-N763 VanDerWaalsContact C-N 3.34Å; L761-N763 PolarHBondContact O-N 2.88Å; L761-M764 PolarHBondContact O-N 3.12Å; L761-V765 HydrophobicContact CD1-CG2 4.06Å; L761-V765 HydrophobicContact CG-CG2 4.46Å; L761-V765 WeakPolarHBondContact O-CG2 3.43Å; L761-V765 PolarHBondContact O-N 3.27Å; L761-P1086 HydrophobicContact CD1-CG 4.15Å; L761-P1086 HydrophobicContact CD2-CB 3.54Å; L761-P1086 HydrophobicContact CD2-CG 4.06Å; L761-I1087 HydrophobicContact CD1-CD1 4.12Å; L761-I1087 HydrophobicContact CD1-CG1 4.38Å; L761-L1104 HydrophobicContact CD2-CD2 4.07Å; L761-L1104 HydrophobicContact CG-CD2 4.05Å; L761-E1145 HydrophobicContact CD2-CG 3.87Å |
| 762 | T | 86.6 | Confident | 87.4 | Confident | 14 Ų | 14 | 58 Ų | 58 | 9% | 0.086 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.4 | -51.4 | -179.5 | -53.2 | 0 | 0 | 0 | 0 | 110.5 | M758 V759 M764 V765 E766 L1104 R1149 | M758-T762 PolarHBondContact O-N 3.1Å; M758-T762 PolarHBondContact O-OG1 2.85Å; V759-T762 PolarHBondContact O-N 2.77Å; T762-M764 VanDerWaalsContact C-N 3.31Å; T762-M764 PolarHBondContact O-N 3.35Å; T762-V765 PolarHBondContact O-N 2.7Å; T762-E766 HydrophobicContact CG2-CG 4.4Å; T762-E766 WeakPolarHBondContact CG2-OE1 3.18Å; T762-E766 WeakPolarHBondContact O-CB 3.44Å; T762-E766 WeakPolarHBondContact O-CG 3.3Å; T762-E766 PolarHBondContact O-N 2.89Å; T762-L1104 HydrophobicContact CG2-CD1 4.07Å; T762-R1149 VanDerWaalsContact OG1-CZ 3.31Å; T762-R1149 PolarHBondContact OG1-NH1 3.05Å; T762-R1149 PolarHBondContact OG1-NH2 3.28Å |
| 763 | N | 89.8 | Confident | 86.4 | Confident | 93 Ų | 93 | 63.5 Ų | 63.5 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | -179.5 | -66.7 | -11.8 | 0 | 0 | 0 | 112 | V759 K760 L761 A767 | V759-N763 VanDerWaalsContact O-CG 3.25Å; V759-N763 PolarHBondContact O-N 3.14Å; V759-N763 PolarHBondContact O-ND2 3.24Å; K760-N763 PolarHBondContact O-N 3.47Å; L761-N763 VanDerWaalsContact C-N 3.34Å; L761-N763 PolarHBondContact O-N 2.88Å; N763-A767 WeakPolarHBondContact O-CB 3.24Å; N763-A767 PolarHBondContact O-N 3.09Å |
| 764 | M | 89.6 | Confident | 85.7 | Confident | 65 Ų | 65 | 68 Ų | 68 | 32% | 0.32 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65 | -46.6 | 177.5 | -73.5 | 172.9 | 63 | 0 | 0 | 112 | K760 L761 T762 A767 Y768 K815 L816 | K760-M764 HydrophobicContact CG-SD 3.97Å; K760-M764 VanDerWaalsContact O-CG 3.27Å; K760-M764 WeakPolarHBondContact O-CG 3.21Å; K760-M764 PolarHBondContact O-N 2.83Å; L761-M764 PolarHBondContact O-N 3.12Å; T762-M764 VanDerWaalsContact C-N 3.31Å; T762-M764 PolarHBondContact O-N 3.35Å; M764-A767 PolarHBondContact O-N 2.88Å; M764-Y768 VanDerWaalsContact O-CB 3.29Å; M764-Y768 WeakPolarHBondContact O-CB 3.32Å; M764-Y768 PolarHBondContact O-N 3.32Å; M764-K815 VanDerWaalsContact CE-O 3.25Å; M764-K815 WeakPolarHBondContact CE-O 3.17Å; M764-L816 HydrophobicContact CB-CD2 4.39Å |
| 765 | V | 88.2 | Confident | 84.8 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.5 | -41.4 | -179.9 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | L761 T762 Y768 N769 L816 I1087 L1104 | L761-V765 HydrophobicContact CD1-CG2 4.06Å; L761-V765 HydrophobicContact CG-CG2 4.46Å; L761-V765 WeakPolarHBondContact O-CG2 3.43Å; L761-V765 PolarHBondContact O-N 3.27Å; T762-V765 PolarHBondContact O-N 2.7Å; V765-Y768 PolarHBondContact O-N 3.34Å; V765-N769 WeakPolarHBondContact O-CB 3.32Å; V765-N769 PolarHBondContact O-N 3.29Å; V765-L816 HydrophobicContact CG2-CD2 4.31Å; V765-I1087 HydrophobicContact CG2-CD1 3.39Å; V765-I1087 HydrophobicContact CG2-CG1 3.83Å; V765-L1104 HydrophobicContact CB-CD2 4.06Å; V765-L1104 HydrophobicContact CB-CG 4.4Å; V765-L1104 HydrophobicContact CG1-CD2 4.25Å; V765-L1104 HydrophobicContact CG1-CG 4.19Å; V765-L1104 HydrophobicContact CG2-CD2 3.83Å |
| 766 | E | 89.4 | Confident | 83.8 | Confident | 111 Ų | 111 | 74.2 Ų | 74.2 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 175.5 | -73.4 | -180 | 178.6 | 0 | 0 | 111.9 | T762 N769 K770 | T762-E766 HydrophobicContact CG2-CG 4.4Å; T762-E766 WeakPolarHBondContact CG2-OE1 3.18Å; T762-E766 WeakPolarHBondContact O-CB 3.44Å; T762-E766 WeakPolarHBondContact O-CG 3.3Å; T762-E766 PolarHBondContact O-N 2.89Å; E766-N769 PolarHBondContact O-N 3.03Å; E766-K770 VanDerWaalsContact O-CB 3.28Å; E766-K770 WeakPolarHBondContact O-CB 3.4Å; E766-K770 PolarHBondContact O-N 3.03Å |
| 767 | A | 89.6 | Confident | 82.7 | Confident | 60 Ų | 60 | 75.2 Ų | 75.2 | 50% | 0.496 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N763 M764 K770 Q771 | N763-A767 WeakPolarHBondContact O-CB 3.24Å; N763-A767 PolarHBondContact O-N 3.09Å; M764-A767 PolarHBondContact O-N 2.88Å; A767-K770 PolarHBondContact O-N 2.98Å; A767-Q771 WeakPolarHBondContact O-CB 3.37Å; A767-Q771 PolarHBondContact O-N 3.16Å |
| 768 | Y | 89.1 | Confident | 81.5 | Confident | 53 Ų | 53 | 77.7 Ų | 77.7 | 21% | 0.208 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.1 | -52.2 | 175.8 | -179 | -90.1 | 0 | 0 | 0 | 111.6 | M764 V765 K770 Q771 M772 L816 T1097 H1102 | M764-Y768 VanDerWaalsContact O-CB 3.29Å; M764-Y768 WeakPolarHBondContact O-CB 3.32Å; M764-Y768 PolarHBondContact O-N 3.32Å; V765-Y768 PolarHBondContact O-N 3.34Å; Y768-K770 VanDerWaalsContact C-N 3.27Å; Y768-K770 PolarHBondContact O-N 3.43Å; Y768-Q771 WeakPolarHBondContact O-CB 3.49Å; Y768-Q771 PolarHBondContact O-N 3.26Å; Y768-Q771 VanDerWaalsContact O-N 3.1Å; Y768-M772 HydrophobicContact CD1-CG 4.2Å; Y768-M772 HydrophobicContact CE1-CG 3.81Å; Y768-M772 WeakPolarHBondContact O-CG 3.19Å; Y768-M772 PolarHBondContact O-N 3.44Å; Y768-L816 HydrophobicContact CD1-CD1 4.48Å; Y768-L816 HydrophobicContact CD2-CD2 4.41Å; Y768-L816 HydrophobicContact CG-CD1 4.41Å; Y768-L816 HydrophobicContact CG-CD2 4.27Å; Y768-T1097 HydrophobicContact CE1-CG2 4.28Å; Y768-T1097 PolarHBondContact OH-OG1 3.42Å; Y768-T1097 VanDerWaalsContact OH-OG1 3.05Å; Y768-H1102 AromaticContact CE1-CD2 3.56Å; Y768-H1102 AromaticContact CE1-NE2 3.63Å |
| 769 | N | 88.9 | Confident | 80.2 | Confident | 25 Ų | 25 | 82.1 Ų | 82.1 | 13% | 0.134 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.5 | -37 | 178.4 | -75.9 | -15.8 | 0 | 0 | 0 | 111.9 | V765 E766 K773 G1101 H1102 | V765-N769 WeakPolarHBondContact O-CB 3.32Å; V765-N769 PolarHBondContact O-N 3.29Å; E766-N769 PolarHBondContact O-N 3.03Å; N769-K773 WeakPolarHBondContact O-CG 3.34Å; N769-K773 PolarHBondContact O-N 3.26Å; N769-K773 VanDerWaalsContact O-N 3.12Å; N769-G1101 VanDerWaalsContact OD1-CA 3.25Å; N769-G1101 WeakPolarHBondContact OD1-CA 3.47Å; N769-H1102 PolarHBondContact ND2-O 3.12Å; N769-H1102 PolarHBondContact OD1-N 3.48Å |
| 770 | K | 87.1 | Confident | 78.7 | Confident | 133 Ų | 133 | 81 Ų | 81 | 58% | 0.578 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.7 | -42 | 174.7 | -171.5 | 178.9 | -178.5 | -178.8 | 0 | 111.8 | E766 A767 Y768 K773 M774 | E766-K770 VanDerWaalsContact O-CB 3.28Å; E766-K770 WeakPolarHBondContact O-CB 3.4Å; E766-K770 PolarHBondContact O-N 3.03Å; A767-K770 PolarHBondContact O-N 2.98Å; Y768-K770 VanDerWaalsContact C-N 3.27Å; Y768-K770 PolarHBondContact O-N 3.43Å; K770-K773 PolarHBondContact O-N 3Å; K770-M774 HydrophobicContact CD-CE 4.41Å; K770-M774 HydrophobicContact CG-CE 4.18Å; K770-M774 WeakPolarHBondContact O-CG 3.4Å; K770-M774 PolarHBondContact O-N 3.04Å |
| 771 | Q | 83.8 | Confident | 77.1 | Confident | 87 Ų | 87 | 78.6 Ų | 78.6 | 41% | 0.407 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 176.9 | -172.2 | -178.7 | 10.6 | 0 | 0 | 111.8 | A767 Y768 K773 M774 K775 | A767-Q771 WeakPolarHBondContact O-CB 3.37Å; A767-Q771 PolarHBondContact O-N 3.16Å; Y768-Q771 WeakPolarHBondContact O-CB 3.49Å; Y768-Q771 PolarHBondContact O-N 3.26Å; Y768-Q771 VanDerWaalsContact O-N 3.1Å; Q771-K773 VanDerWaalsContact C-N 3.35Å; Q771-K773 PolarHBondContact O-N 2.86Å; Q771-M774 WeakPolarHBondContact O-CB 3.5Å; Q771-M774 PolarHBondContact O-N 2.95Å; Q771-M774 VanDerWaalsContact O-N 3.15Å; Q771-K775 PolarHBondContact O-N 3.44Å |
| 772 | M | 80.2 | Confident | 75.1 | Confident | 51 Ų | 51 | 84.3 Ų | 84.3 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.9 | -39.5 | 177.6 | -62.6 | -55.5 | -104 | 0 | 0 | 111.7 | Y768 M774 K775 K776 | Y768-M772 HydrophobicContact CD1-CG 4.2Å; Y768-M772 HydrophobicContact CE1-CG 3.81Å; Y768-M772 WeakPolarHBondContact O-CG 3.19Å; Y768-M772 PolarHBondContact O-N 3.44Å; M772-M774 VanDerWaalsContact C-N 3.32Å; M772-M774 PolarHBondContact O-N 2.98Å; M772-K775 PolarHBondContact O-N 2.78Å; M772-K775 HydrophobicContact SD-CD 4.43Å; M772-K776 PolarHBondContact O-N 3.37Å |
| 773 | K | 76.4 | Confident | 73.1 | Confident | 117 Ų | 117 | 88.9 Ų | 88.9 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.1 | -36.3 | 171.7 | -73.6 | 179.3 | -179.7 | -178.5 | 0 | 112.9 | N769 K770 Q771 N777 | N769-K773 WeakPolarHBondContact O-CG 3.34Å; N769-K773 PolarHBondContact O-N 3.26Å; N769-K773 VanDerWaalsContact O-N 3.12Å; K770-K773 PolarHBondContact O-N 3Å; Q771-K773 VanDerWaalsContact C-N 3.35Å; Q771-K773 PolarHBondContact O-N 2.86Å; K773-N777 PolarHBondContact O-N 2.94Å |
| 774 | M | 75.7 | Confident | 71 | Confident | 101 Ų | 101 | 89.9 Ų | 89.9 | 50% | 0.498 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.8 | -44.7 | 176.3 | -73.2 | 174.2 | 168.9 | 0 | 0 | 112.4 | K770 Q771 M772 K776 N777 E778 | K770-M774 HydrophobicContact CD-CE 4.41Å; K770-M774 HydrophobicContact CG-CE 4.18Å; K770-M774 WeakPolarHBondContact O-CG 3.4Å; K770-M774 PolarHBondContact O-N 3.04Å; Q771-M774 WeakPolarHBondContact O-CB 3.5Å; Q771-M774 PolarHBondContact O-N 2.95Å; Q771-M774 VanDerWaalsContact O-N 3.15Å; M772-M774 VanDerWaalsContact C-N 3.32Å; M772-M774 PolarHBondContact O-N 2.98Å; M774-K776 PolarHBondContact O-N 3.46Å; M774-N777 WeakPolarHBondContact O-CB 3.38Å; M774-N777 PolarHBondContact O-N 3.41Å; M774-E778 PolarHBondContact O-N 3.21Å |
| 775 | K | 70.9 | Confident | 68.8 | Low | 121 Ų | 121 | 91.6 Ų | 91.6 | 53% | 0.526 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.5 | -38.8 | 175.6 | -77 | -174 | 174.5 | -176.1 | 0 | 112.2 | Q771 M772 E778 M779 | Q771-K775 PolarHBondContact O-N 3.44Å; M772-K775 PolarHBondContact O-N 2.78Å; M772-K775 HydrophobicContact SD-CD 4.43Å; K775-E778 PolarHBondContact O-N 3.23Å; K775-M779 WeakPolarHBondContact O-CB 3.44Å; K775-M779 PolarHBondContact O-N 3.33Å |
| 776 | K | 64.1 | Low | 66.4 | Low | 98 Ų | 98 | 98 Ų | 98 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 173.7 | -179.9 | 177.9 | 176.9 | 171.2 | 0 | 112.2 | M772 M774 E778 M779 S780 D1099 | M772-K776 PolarHBondContact O-N 3.37Å; M774-K776 PolarHBondContact O-N 3.46Å; K776-E778 VanDerWaalsContact C-N 3.35Å; K776-M779 PolarHBondContact O-N 2.92Å; K776-S780 WeakPolarHBondContact O-CB 3.4Å; K776-S780 PolarHBondContact O-N 2.71Å; K776-S780 PolarHBondContact O-OG 3.14Å; K776-D1099 HydrophobicContact CD-CB 4.47Å; K776-D1099 VanDerWaalsContact NZ-CG 3.3Å; K776-D1099 IonicContact NZ-OD1 3.08Å; K776-D1099 IonicContact NZ-OD2 2.66Å; K776-D1099 PolarHBondContact NZ-OD2 3.13Å |
| 777 | N | 61.2 | Low | 64 | Low | 104 Ų | 104 | 100.9 Ų | 100.9 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.5 | -40.3 | 178.8 | -70.4 | -10.4 | 0 | 0 | 0 | 111.3 | K773 M774 S780 T781 | K773-N777 PolarHBondContact O-N 2.94Å; M774-N777 WeakPolarHBondContact O-CB 3.38Å; M774-N777 PolarHBondContact O-N 3.41Å; N777-S780 WeakPolarHBondContact CA-OG 3.01Å; N777-S780 PolarHBondContact O-OG 3.13Å; N777-T781 WeakPolarHBondContact O-CG2 3.42Å; N777-T781 PolarHBondContact O-N 3.22Å; N777-T781 PolarHBondContact O-OG1 2.94Å |
| 778 | E | 60.2 | Low | 61.6 | Low | 128 Ų | 128 | 107.6 Ų | 107.6 | 60% | 0.598 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | 176.6 | -70.4 | 176.5 | 172.8 | 0 | 0 | 112.3 | M774 K775 K776 T781 M782 | M774-E778 PolarHBondContact O-N 3.21Å; K775-E778 PolarHBondContact O-N 3.23Å; K776-E778 VanDerWaalsContact C-N 3.35Å; E778-T781 VanDerWaalsContact C-OG1 3.32Å; E778-T781 VanDerWaalsContact CA-OG1 3.29Å; E778-T781 WeakPolarHBondContact CA-OG1 3Å; E778-T781 PolarHBondContact O-N 3.46Å; E778-T781 PolarHBondContact O-OG1 3.48Å; E778-M782 PolarHBondContact O-N 3.1Å |
| 779 | M | 55.1 | Low | 59.2 | Low | 131 Ų | 131 | 110.6 Ų | 110.6 | 65% | 0.645 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.8 | -34.5 | 179.9 | -144.9 | 166.2 | 78.8 | 0 | 0 | 112.2 | K775 K776 M782 N783 | K775-M779 WeakPolarHBondContact O-CB 3.44Å; K775-M779 PolarHBondContact O-N 3.33Å; K776-M779 PolarHBondContact O-N 2.92Å; M779-M782 PolarHBondContact O-N 2.84Å; M779-N783 PolarHBondContact O-N 3.2Å; M779-N783 VanDerWaalsContact O-N 3.1Å |
| 780 | S | 53.2 | Low | 57.1 | Low | 57 Ų | 57 | 118.3 Ų | 118.3 | 40% | 0.399 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.8 | -34.7 | 171.4 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | K776 N777 V784 | K776-S780 WeakPolarHBondContact O-CB 3.4Å; K776-S780 PolarHBondContact O-N 2.71Å; K776-S780 PolarHBondContact O-OG 3.14Å; N777-S780 WeakPolarHBondContact CA-OG 3.01Å; N777-S780 PolarHBondContact O-OG 3.13Å; S780-V784 WeakPolarHBondContact O-CG2 3.48Å; S780-V784 PolarHBondContact O-N 2.94Å |
| 781 | T | 52.8 | Low | 54.9 | Low | 87 Ų | 87 | 119 Ų | 119 | 53% | 0.534 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.7 | -33.7 | 171.7 | 45.8 | 0 | 0 | 0 | 0 | 113.8 | N777 E778 V784 S785 | N777-T781 WeakPolarHBondContact O-CG2 3.42Å; N777-T781 PolarHBondContact O-N 3.22Å; N777-T781 PolarHBondContact O-OG1 2.94Å; E778-T781 VanDerWaalsContact C-OG1 3.32Å; E778-T781 VanDerWaalsContact CA-OG1 3.29Å; E778-T781 WeakPolarHBondContact CA-OG1 3Å; E778-T781 PolarHBondContact O-N 3.46Å; E778-T781 PolarHBondContact O-OG1 3.48Å; T781-V784 PolarHBondContact O-N 3.01Å; T781-S785 PolarHBondContact O-N 2.86Å; T781-S785 PolarHBondContact O-OG 3.02Å |
| 782 | M | 46.4 | Very low | 53 | Low | 133 Ų | 133 | 121 Ų | 121 | 66% | 0.655 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.1 | -38.7 | 174 | -79.8 | -173.5 | 167.8 | 0 | 0 | 112.4 | E778 M779 V784 S785 L786 | E778-M782 PolarHBondContact O-N 3.1Å; M779-M782 PolarHBondContact O-N 2.84Å; M782-V784 VanDerWaalsContact C-N 3.28Å; M782-V784 PolarHBondContact O-N 3.03Å; M782-S785 PolarHBondContact O-N 3.18Å; M782-S785 VanDerWaalsContact O-N 3.11Å; M782-L786 PolarHBondContact O-N 3.36Å |
| 783 | N | 42.8 | Very low | 50.8 | Low | 109 Ų | 109 | 123.7 Ų | 123.7 | 58% | 0.583 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.5 | -19.6 | 177.7 | -77.8 | -18.4 | 0 | 0 | 0 | 114.1 | M779 | M779-N783 PolarHBondContact O-N 3.2Å; M779-N783 VanDerWaalsContact O-N 3.1Å |
| 784 | V | 47.1 | Very low | 49 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 70% | 0.697 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -80.2 | -21.3 | 172.1 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | S780 T781 M782 | S780-V784 WeakPolarHBondContact O-CG2 3.48Å; S780-V784 PolarHBondContact O-N 2.94Å; T781-V784 PolarHBondContact O-N 3.01Å; M782-V784 VanDerWaalsContact C-N 3.28Å; M782-V784 PolarHBondContact O-N 3.03Å |
| 785 | S | 43.2 | Very low | 47.2 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 70% | 0.699 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -90.1 | -13.7 | -176.3 | -50.4 | 0 | 0 | 0 | 0 | 114.2 | T781 M782 | T781-S785 PolarHBondContact O-N 2.86Å; T781-S785 PolarHBondContact O-OG 3.02Å; M782-S785 PolarHBondContact O-N 3.18Å; M782-S785 VanDerWaalsContact O-N 3.11Å |
| 786 | L | 37.9 | Very low | 45.5 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 71% | 0.712 | 65% | 0.648 | S | S | * | * | trans | -103.9 | 23 | -175.7 | -78.2 | 160.3 | 0 | 0 | 0 | 114.3 | M782 F788 | M782-L786 PolarHBondContact O-N 3.36Å; L786-F788 VanDerWaalsContact C-N 3.26Å; L786-F788 PolarHBondContact O-N 3.17Å | ||
| 787 | K | 38.9 | Very low | 44.3 | Very low | 173 Ų | 173 | 130.3 Ų | 130.3 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | trans | -83.6 | 38.5 | 176.2 | -90 | -172.2 | 177.9 | 179 | 0 | 114 | ||||
| 788 | F | 39.5 | Very low | 43 | Very low | 201 Ų | 201 | 130.4 Ų | 130.4 | 88% | 0.882 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -148.9 | 137.8 | 166.5 | -77.6 | -79.7 | 0 | 0 | 0 | 110 | L786 | L786-F788 VanDerWaalsContact C-N 3.26Å; L786-F788 PolarHBondContact O-N 3.17Å |
| 789 | N | 38.6 | Very low | 41.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 62% | 0.62 | 67% | 0.67 | S | S | * | * | trans | 74.3 | 92.6 | -175.2 | -80.1 | -5 | 0 | 0 | 0 | 118.5 | D791 | N789-D791 VanDerWaalsContact C-N 3.31Š| ||
| 790 | K | 43.6 | Very low | 40.5 | Very low | 186 Ų | 186 | 134.7 Ų | 134.7 | 81% | 0.809 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -75.4 | -11.5 | 168.6 | -88.1 | -178.8 | 172.7 | 179.4 | 0 | 114.3 | ||
| 791 | D | 42.3 | Very low | 39.3 | Very low | 147 Ų | 147 | 137 Ų | 137 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -96.9 | -14.8 | -171.9 | -63.7 | -30.9 | 0 | 0 | 0 | 114.6 | N789 | N789-D791 VanDerWaalsContact C-N 3.31Š|
| 792 | E | 42.2 | Very low | 38.2 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 60% | 0.603 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -89.7 | -13.2 | 174.7 | -75.2 | 179.9 | 142.9 | 0 | 0 | 113.5 | Y794 S795 | E792-Y794 VanDerWaalsContact C-N 3.26Å; E792-Y794 PolarHBondContact O-N 2.97Å; E792-S795 PolarHBondContact O-N 3.27Å |
| 793 | M | 35.4 | Very low | 37.3 | Very low | 108 Ų | 108 | 140 Ų | 140 | 53% | 0.532 | 71% | 0.707 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.3 | -14.9 | -179.3 | -163.8 | 173.7 | 64.1 | 0 | 0 | 113.2 | ||
| 794 | Y | 38 | Very low | 36.5 | Very low | 194 Ų | 194 | 142.9 Ų | 142.9 | 76% | 0.761 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -13.9 | 178.4 | -107.6 | -89.7 | 0 | 0 | 0 | 114.2 | E792 | E792-Y794 VanDerWaalsContact C-N 3.26Å; E792-Y794 PolarHBondContact O-N 2.97Å |
| 795 | S | 37.1 | Very low | 35.5 | Very low | 90 Ų | 90 | 145.8 Ų | 145.8 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -6.3 | 173.8 | 79.4 | 0 | 0 | 0 | 0 | 114.4 | E792 | E792-S795 PolarHBondContact O-N 3.27Š|
| 796 | M | 35.2 | Very low | 34.7 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 73% | 0.729 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -95.7 | -8.4 | 172.8 | -83.5 | -175 | 162.9 | 0 | 0 | 113.9 | T798 | M796-T798 VanDerWaalsContact C-N 3.29Å; M796-T798 PolarHBondContact O-N 3.15Å |
| 797 | K | 39.1 | Very low | 34.1 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 63% | 0.63 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 4.3 | -179.3 | -84.2 | -176.5 | 175.5 | -176.4 | 0 | 115.3 | ||
| 798 | T | 35.3 | Very low | 33.4 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 64% | 0.644 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 6.8 | 179.4 | 41 | 0 | 0 | 0 | 0 | 114.5 | M796 | M796-T798 VanDerWaalsContact C-N 3.29Å; M796-T798 PolarHBondContact O-N 3.15Å |
| 799 | N | 31.5 | Very low | 32.8 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -123.9 | 14.3 | 177.7 | -99.6 | -1.7 | 0 | 0 | 0 | 114.8 | ||
| 800 | Y | 29.7 | Very low | 32.1 | Very low | 208 Ų | 208 | 145.9 Ų | 145.9 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -113.2 | 15.4 | 176.5 | -97.8 | -83.6 | 0 | 0 | 0 | 114.1 | ||
| 801 | S | 29.5 | Very low | 31.1 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -97.5 | 4.5 | 174.9 | 43 | 0 | 0 | 0 | 0 | 114.5 | ||
| 802 | E | 28.1 | Very low | 30.4 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | -142.2 | 69.2 | 175.4 | -73 | -175.5 | 160.5 | 0 | 0 | 110.7 | ||||
| 803 | V | 27.7 | Very low | 29.8 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 62% | 0.624 | 74% | 0.737 | S | S | * | * | trans | -114.5 | 92.5 | 155.7 | -178 | 0 | 0 | 0 | 0 | 106.7 | M805 | V803-M805 PolarHBondContact O-N 2.76Š| ||
| 804 | Q | 25.9 | Very low | 30.5 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -49.4 | 103.4 | 155.7 | -70.3 | 175.9 | -30.3 | 0 | 0 | 107.4 | N806 | Q804-N806 PolarHBondContact O-N 2.86Š| ||
| 805 | M | 26.2 | Very low | 31.9 | Very low | 177 Ų | 177 | 141 Ų | 141 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | trans | -71.3 | 89.4 | 158 | -79.6 | -161.7 | 164.4 | 0 | 0 | 106.3 | V803 D807 | V803-M805 PolarHBondContact O-N 2.76Å; M805-D807 PolarHBondContact O-N 3.11Å | ||
| 806 | N | 26.4 | Very low | 34 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | trans | -50.2 | 107.7 | 162.2 | -96.5 | -26.3 | 0 | 0 | 0 | 108.4 | Q804 N808 | Q804-N806 PolarHBondContact O-N 2.86Å; N806-N808 VanDerWaalsContact C-N 3.31Å; N806-N808 PolarHBondContact O-N 3.26Å | ||
| 807 | D | 25.9 | Very low | 36.4 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -51.3 | 95.6 | 152.9 | -82.1 | -37.4 | 0 | 0 | 0 | 108.2 | M805 | M805-D807 PolarHBondContact O-N 3.11Š|
| 808 | N | 24.6 | Very low | 38.7 | Very low | 155 Ų | 155 | 128.9 Ų | 128.9 | 83% | 0.829 | 67% | 0.665 | S | S | * | * | trans | 177.2 | 59.7 | 157.6 | -88.1 | -26.7 | 0 | 0 | 0 | 111 | N806 | N806-N808 VanDerWaalsContact C-N 3.31Å; N806-N808 PolarHBondContact O-N 3.26Å | ||
| 809 | T | 26.4 | Very low | 41.2 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 80% | 0.798 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -144.9 | 125.9 | 151.8 | 45.4 | 0 | 0 | 0 | 0 | 110 | Y811 | T809-Y811 PolarHBondContact O-N 2.71Š|
| 810 | N | 23.5 | Very low | 44 | Very low | 157 Ų | 157 | 119 Ų | 119 | 84% | 0.84 | 61% | 0.607 | S | S | * | * | trans | -58.5 | 86.8 | -179.9 | -82 | -31.6 | 0 | 0 | 0 | 113.4 | ||||
| 811 | Y | 23.9 | Very low | 46.9 | Very low | 219 Ų | 219 | 114.3 Ų | 114.3 | 86% | 0.859 | 60% | 0.596 | S | S | * | * | trans | -101 | 80.7 | 149.1 | -98.7 | -86.7 | 0 | 0 | 0 | 107.6 | T809 D813 | T809-Y811 PolarHBondContact O-N 2.71Å; Y811-D813 PolarHBondContact O-N 3.08Å | ||
| 812 | T | 25.8 | Very low | 49.9 | Very low | 115 Ų | 115 | 114.6 Ų | 114.6 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | -62.7 | 106.3 | 178.5 | 45.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 813 | D | 31.2 | Very low | 53.2 | Low | 104 Ų | 104 | 107 Ų | 107 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | trans | 57.2 | 71.1 | 144.4 | -123.6 | 8.6 | 0 | 0 | 0 | 116.8 | Y811 K815 | Y811-D813 PolarHBondContact O-N 3.08Å; D813-K815 VanDerWaalsContact CG-NZ 3.27Å; D813-K815 PolarHBondContact O-N 3.22Å; D813-K815 WeakPolarHBondContact OD1-CD 3.13Å; D813-K815 WeakPolarHBondContact OD1-CE 3.41Å; D813-K815 WeakPolarHBondContact OD1-CG 3.3Å; D813-K815 IonicContact OD1-NZ 3.57Å; D813-K815 PolarHBondContact OD1-NZ 3.25Å; D813-K815 IonicContact OD2-NZ 3.03Å; D813-K815 PolarHBondContact OD2-NZ 2.83Å | ||
| 814 | N | 49.2 | Very low | 56.5 | Low | 133 Ų | 133 | 102.1 Ų | 102.1 | 71% | 0.711 | 52% | 0.519 | S | S | * | . | trans | -73.5 | 47 | 163.5 | -94 | -2.3 | 0 | 0 | 0 | 111.8 | L816 | N814-L816 PolarHBondContact O-N 2.84Š| ||
| 815 | K | 67.8 | Low | 59.9 | Low | 90 Ų | 90 | 94.2 Ų | 94.2 | 39% | 0.391 | 48% | 0.483 | S | S | . | . | trans | -75 | 121.5 | 170.7 | -75.8 | 179.9 | -174.4 | 131.7 | 0 | 109 | M764 D813 F817 | M764-K815 VanDerWaalsContact CE-O 3.25Å; M764-K815 WeakPolarHBondContact CE-O 3.17Å; D813-K815 VanDerWaalsContact CG-NZ 3.27Å; D813-K815 PolarHBondContact O-N 3.22Å; D813-K815 WeakPolarHBondContact OD1-CD 3.13Å; D813-K815 WeakPolarHBondContact OD1-CE 3.41Å; D813-K815 WeakPolarHBondContact OD1-CG 3.3Å; D813-K815 IonicContact OD1-NZ 3.57Å; D813-K815 PolarHBondContact OD1-NZ 3.25Å; D813-K815 IonicContact OD2-NZ 3.03Å; D813-K815 PolarHBondContact OD2-NZ 2.83Å; K815-F817 VanDerWaalsContact C-N 3.28Å; K815-F817 PolarHBondContact O-N 3.17Å | ||
| 816 | L | 81 | Confident | 63.3 | Low | 18 Ų | 18 | 85.8 Ų | 85.8 | 9% | 0.094 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -69.5 | -29.3 | 179 | -68.2 | 170.8 | 0 | 0 | 0 | 112.1 | M764 V765 Y768 N814 I1087 F1089 | M764-L816 HydrophobicContact CB-CD2 4.39Å; V765-L816 HydrophobicContact CG2-CD2 4.31Å; Y768-L816 HydrophobicContact CD1-CD1 4.48Å; Y768-L816 HydrophobicContact CD2-CD2 4.41Å; Y768-L816 HydrophobicContact CG-CD1 4.41Å; Y768-L816 HydrophobicContact CG-CD2 4.27Å; N814-L816 PolarHBondContact O-N 2.84Å; L816-I1087 HydrophobicContact CB-CD1 3.45Å; L816-I1087 VanDerWaalsContact CB-CD1 3.45Å; L816-I1087 HydrophobicContact CD1-CD1 3.77Å; L816-I1087 HydrophobicContact CG-CD1 4.13Å; L816-F1089 HydrophobicContact CD1-CE1 4.13Å |
| 817 | F | 86.1 | Confident | 66.7 | Low | 23 Ų | 23 | 79.5 Ų | 79.5 | 10% | 0.101 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -157.1 | 175.6 | 169.4 | 67.6 | -82.3 | 0 | 0 | 0 | 110.2 | K815 E819 P1085 P1086 I1087 F1089 R1134 | K815-F817 VanDerWaalsContact C-N 3.28Å; K815-F817 PolarHBondContact O-N 3.17Å; F817-E819 HydrophobicContact CD1-CG 4.33Å; F817-E819 HydrophobicContact CD2-CG 4.06Å; F817-E819 HydrophobicContact CE1-CG 3.81Å; F817-E819 HydrophobicContact CE2-CB 4.29Å; F817-E819 HydrophobicContact CE2-CG 3.47Å; F817-E819 VanDerWaalsContact CE2-CG 3.47Å; F817-E819 HydrophobicContact CG-CG 4.45Å; F817-E819 HydrophobicContact CZ-CG 3.33Å; F817-E819 PolarHBondContact O-N 3.19Å; F817-P1085 HydrophobicContact CE1-CB 4.11Å; F817-P1085 HydrophobicContact CE2-CB 4.23Å; F817-P1085 HydrophobicContact CZ-CB 3.59Å; F817-P1085 HydrophobicContact CZ-CG 4.19Å; F817-P1086 HydrophobicContact CB-CG 3.94Å; F817-P1086 HydrophobicContact CD1-CG 3.87Å; F817-P1086 HydrophobicContact CD2-CG 4.34Å; F817-P1086 HydrophobicContact CE1-CG 4.47Å; F817-P1086 HydrophobicContact CG-CG 3.79Å; F817-I1087 HydrophobicContact CD1-CD1 4.09Å; F817-I1087 HydrophobicContact CE1-CD1 4.49Å; F817-F1089 HydrophobicContact CD1-CZ 4.46Å; F817-F1089 AromaticContact CE1-CE2 3.54Å; F817-F1089 HydrophobicContact CE1-CE2 3.54Å; F817-F1089 AromaticContact CE1-CZ 3.58Å; F817-F1089 HydrophobicContact CE1-CZ 3.58Å; F817-F1089 AromaticContact CZ-CE2 3.96Å; F817-F1089 HydrophobicContact CZ-CE2 3.96Å; F817-F1089 HydrophobicContact CZ-CZ 4.35Å; F817-R1134 HydrophobicContact CD2-CB 4.43Å; F817-R1134 HydrophobicContact CD2-CG 4.41Å; F817-R1134 HydrophobicContact CE2-CB 4.08Å |
| 818 | D | 86 | Confident | 70.1 | Confident | 89 Ų | 89 | 73.1 Ų | 73.1 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | trans | -73 | 91.1 | 176 | -60.8 | -35.7 | 0 | 0 | 0 | 111.1 | D1135 R1138 | D818-D1135 PolarHBondContact O-N 3.07Å; D818-R1138 HydrophobicContact CB-CG 3.93Å | ||
| 819 | E | 89.9 | Confident | 73.6 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 142.5 | 175.8 | -70.9 | 177.6 | -115.7 | 0 | 0 | 112.3 | F817 G1132 I1133 R1304 | F817-E819 HydrophobicContact CD1-CG 4.33Å; F817-E819 HydrophobicContact CD2-CG 4.06Å; F817-E819 HydrophobicContact CE1-CG 3.81Å; F817-E819 HydrophobicContact CE2-CB 4.29Å; F817-E819 HydrophobicContact CE2-CG 3.47Å; F817-E819 VanDerWaalsContact CE2-CG 3.47Å; F817-E819 HydrophobicContact CG-CG 4.45Å; F817-E819 HydrophobicContact CZ-CG 3.33Å; F817-E819 PolarHBondContact O-N 3.19Å; E819-G1132 PolarHBondContact OE2-N 2.8Å; E819-I1133 CarbonylContact C-O 3.45Å; E819-I1133 WeakPolarHBondContact CA-O 3.14Å; E819-R1304 IonicContact OE2-CZ 2.64Å; E819-R1304 VanDerWaalsContact OE2-CZ 3.23Å; E819-R1304 IonicContact OE2-NH1 3.1Å; E819-R1304 PolarHBondContact OE2-NH1 2.53Å; E819-R1304 IonicContact OE2-NH2 3.26Å; E819-R1304 PolarHBondContact OE2-NH2 2.83Å |
| 820 | D | 90.2 | Very high | 77 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.053 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 129.8 | 165.6 | -171.3 | -42.1 | 0 | 0 | 0 | 109.1 | K822 F823 I1133 R1238 R1304 | D820-K822 WeakPolarHBondContact OD1-CA 3.42Å; D820-K822 WeakPolarHBondContact OD1-CB 3.28Å; D820-K822 PolarHBondContact OD1-N 2.85Å; D820-F823 PolarHBondContact OD1-N 3.23Å; D820-I1133 HydrophobicContact CB-CD1 4.2Å; D820-I1133 HydrophobicContact CB-CG1 3.45Å; D820-I1133 VanDerWaalsContact CB-CG1 3.45Å; D820-I1133 PolarHBondContact N-O 3.17Å; D820-R1238 IonicContact OD1-NH2 2.68Å; D820-R1238 IonicContact OD2-CZ 3.11Å; D820-R1238 VanDerWaalsContact OD2-CZ 3.25Å; D820-R1238 IonicContact OD2-NE 2.72Å; D820-R1238 PolarHBondContact OD2-NE 3.38Å; D820-R1238 IonicContact OD2-NH2 3.65Å; D820-R1238 PolarHBondContact OD2-NH2 3.47Å; D820-R1304 WeakPolarHBondContact O-CD 2.93Å; D820-R1304 PolarHBondContact O-NH1 2.57Å |
| 821 | N | 89.2 | Confident | 80.6 | Confident | 110 Ų | 110 | 52.6 Ų | 52.6 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -9.7 | -178 | -66.2 | -24.9 | 0 | 0 | 0 | 113.3 | R1304 | N821-R1304 PolarHBondContact OD1-NH1 3.5Å |
| 822 | K | 93.4 | Very high | 84.1 | Confident | 111 Ų | 111 | 44.1 Ų | 44.1 | 48% | 0.483 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -42 | -178.2 | -64.6 | -177.6 | 173 | -179.4 | 0 | 112.3 | D820 D1236 R1304 | D820-K822 WeakPolarHBondContact OD1-CA 3.42Å; D820-K822 WeakPolarHBondContact OD1-CB 3.28Å; D820-K822 PolarHBondContact OD1-N 2.85Å; K822-D1236 IonicContact NZ-OD1 2.89Å; K822-D1236 PolarHBondContact NZ-OD1 3.31Å; K822-R1304 PolarHBondContact O-N 2.97Å |
| 823 | F | 96.4 | Very high | 87.6 | Confident | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.096 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.2 | -168.7 | -59.7 | -41.9 | 0 | 0 | 0 | 113.8 | D820 L827 M1044 G1132 I1133 R1238 F1302 | D820-F823 PolarHBondContact OD1-N 3.23Å; F823-L827 HydrophobicContact CB-CB 4.33Å; F823-L827 HydrophobicContact CB-CD2 3.64Å; F823-L827 HydrophobicContact CD1-CD2 4.4Å; F823-L827 HydrophobicContact CD2-CD2 3.42Å; F823-L827 VanDerWaalsContact CD2-CD2 3.42Å; F823-L827 HydrophobicContact CE2-CD2 4.12Å; F823-L827 HydrophobicContact CG-CD2 3.6Å; F823-M1044 HydrophobicContact CD1-CG 4.46Å; F823-M1044 HydrophobicContact CD1-SD 3.9Å; F823-M1044 HydrophobicContact CE1-CB 4.03Å; F823-M1044 HydrophobicContact CE1-CE 4.45Å; F823-M1044 HydrophobicContact CE1-CG 3.69Å; F823-M1044 HydrophobicContact CE1-SD 3.65Å; F823-M1044 HydrophobicContact CE2-CB 4.04Å; F823-M1044 HydrophobicContact CZ-CB 3.69Å; F823-M1044 HydrophobicContact CZ-CG 3.78Å; F823-M1044 HydrophobicContact CZ-SD 4.29Å; F823-G1132 VanDerWaalsContact O-CA 3.28Å; F823-G1132 WeakPolarHBondContact O-CA 3.24Å; F823-I1133 HydrophobicContact CB-CD1 4.24Å; F823-I1133 HydrophobicContact CB-CG1 4.3Å; F823-I1133 PolarHBondContact O-N 3.46Å; F823-I1133 VanDerWaalsContact O-N 3.1Å; F823-R1238 HydrophobicContact CD2-CG 4.23Å; F823-R1238 HydrophobicContact CE2-CG 4.13Å; F823-R1238 VanDerWaalsContact CE2-NH1 3.33Å; F823-F1302 VanDerWaalsContact CA-O 3.32Å; F823-F1302 WeakPolarHBondContact CA-O 3.25Å |
| 824 | S | 97 | Very high | 90.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 159.3 | -179.8 | 71.4 | 0 | 0 | 0 | 0 | 111.3 | M826 L827 L1128 L1129 N1131 I1133 A1301 F1302 | S824-M826 PolarHBondContact O-N 3.08Å; S824-M826 WeakPolarHBondContact OG-CB 3.38Å; S824-M826 PolarHBondContact OG-N 2.6Å; S824-L827 WeakPolarHBondContact O-CB 3.17Å; S824-L827 PolarHBondContact O-N 3.32Å; S824-L1128 WeakPolarHBondContact CB-O 3.16Å; S824-L1129 WeakPolarHBondContact CB-O 3.24Å; S824-N1131 CarbonylContact C-O 3.44Å; S824-N1131 WeakPolarHBondContact CA-O 3.34Å; S824-I1133 VanDerWaalsContact O-CG2 3.25Å; S824-I1133 WeakPolarHBondContact O-CG2 3.07Å; S824-A1301 PolarHBondContact OG-O 2.79Å; S824-F1302 PolarHBondContact N-O 3.17Å; S824-F1302 WeakPolarHBondContact OG-CA 3.41Å; S824-F1302 PolarHBondContact OG-O 3.25Å |
| 825 | G | 97.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -52.1 | -25.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | L827 M828 Q829 L1128 N1131 | G825-L827 PolarHBondContact O-N 2.92Å; G825-M828 PolarHBondContact O-N 3.08Å; G825-Q829 PolarHBondContact O-N 3.18Å; G825-Q829 VanDerWaalsContact O-N 3.1Å; G825-L1128 CarbonylContact C-O 3.51Å; G825-L1128 WeakPolarHBondContact CA-O 3.27Å; G825-L1128 PolarHBondContact N-O 3.24Å; G825-N1131 PolarHBondContact N-O 3.48Å |
| 826 | M | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.2 | -29.8 | 175.3 | -168.4 | 58.3 | 69 | 0 | 0 | 113.1 | S824 M828 Q829 W830 L994 L1125 L1128 L1129 L1283 I1287 A1301 F1302 | S824-M826 PolarHBondContact O-N 3.08Å; S824-M826 WeakPolarHBondContact OG-CB 3.38Å; S824-M826 PolarHBondContact OG-N 2.6Å; M826-M828 VanDerWaalsContact C-N 3.33Å; M826-M828 PolarHBondContact O-N 2.68Å; M826-Q829 PolarHBondContact O-N 2.66Å; M826-Q829 HydrophobicContact SD-CB 4.48Å; M826-W830 VanDerWaalsContact O-CB 3.32Å; M826-W830 WeakPolarHBondContact O-CB 3.32Å; M826-W830 PolarHBondContact O-N 2.91Å; M826-L994 HydrophobicContact CE-CD2 4.46Å; M826-L994 HydrophobicContact SD-CD2 4.05Å; M826-L1125 HydrophobicContact CE-CD2 4.36Å; M826-L1128 HydrophobicContact CE-CB 3.87Å; M826-L1128 HydrophobicContact CE-CD1 4.14Å; M826-L1128 PolarHBondContact N-O 3.17Å; M826-L1129 HydrophobicContact CE-CD2 4.28Å; M826-L1129 HydrophobicContact CE-CG 4.49Å; M826-L1283 HydrophobicContact CG-CD2 3.61Å; M826-L1283 HydrophobicContact SD-CD2 3.85Å; M826-I1287 HydrophobicContact CE-CD1 3.84Å; M826-A1301 WeakPolarHBondContact CB-O 3.46Å; M826-A1301 HydrophobicContact CG-CB 4.15Å; M826-F1302 HydrophobicContact CB-CD1 4.35Å; M826-F1302 HydrophobicContact CG-CD1 4.06Å; M826-F1302 HydrophobicContact CG-CE1 4.03Å |
| 827 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 176.8 | -175.9 | 72.3 | 0 | 0 | 0 | 111.4 | F823 S824 G825 G831 W1041 M1044 I1045 M1083 I1133 F1302 | F823-L827 HydrophobicContact CB-CB 4.33Å; F823-L827 HydrophobicContact CB-CD2 3.64Å; F823-L827 HydrophobicContact CD1-CD2 4.4Å; F823-L827 HydrophobicContact CD2-CD2 3.42Å; F823-L827 VanDerWaalsContact CD2-CD2 3.42Å; F823-L827 HydrophobicContact CE2-CD2 4.12Å; F823-L827 HydrophobicContact CG-CD2 3.6Å; S824-L827 WeakPolarHBondContact O-CB 3.17Å; S824-L827 PolarHBondContact O-N 3.32Å; G825-L827 PolarHBondContact O-N 2.92Å; L827-G831 PolarHBondContact O-N 3.2Å; L827-W1041 HydrophobicContact CD1-CG 4.35Å; L827-W1041 PolarHBondContact O-NE1 3.24Å; L827-M1044 HydrophobicContact CD1-CB 3.92Å; L827-M1044 HydrophobicContact CD1-SD 3.97Å; L827-M1044 HydrophobicContact CD2-CB 4.41Å; L827-I1045 HydrophobicContact CD1-CD1 4.14Å; L827-I1045 HydrophobicContact CD2-CD1 4.11Å; L827-I1045 HydrophobicContact CG-CD1 4.14Å; L827-M1083 HydrophobicContact CD2-SD 4.49Å; L827-I1133 HydrophobicContact CB-CG2 4.31Å; L827-I1133 HydrophobicContact CD2-CD1 4.21Å; L827-F1302 HydrophobicContact CB-CB 4.46Å; L827-F1302 HydrophobicContact CB-CD1 4.34Å; L827-F1302 HydrophobicContact CD1-CB 4.14Å; L827-F1302 HydrophobicContact CD1-CD1 4.22Å; L827-F1302 HydrophobicContact CD1-CG 4.24Å |
| 828 | M | 97.5 | Very high | 96 | Very high | 18 Ų | 18 | 22.8 Ų | 22.8 | 9% | 0.089 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.6 | -47.8 | 174.9 | 178.6 | -77.3 | -67.3 | 0 | 0 | 110.7 | G825 M826 W830 G831 Q832 M1083 V1084 I1133 | G825-M828 PolarHBondContact O-N 3.08Å; M826-M828 VanDerWaalsContact C-N 3.33Å; M826-M828 PolarHBondContact O-N 2.68Å; M828-W830 VanDerWaalsContact C-N 3.33Å; M828-W830 PolarHBondContact O-N 2.75Å; M828-G831 PolarHBondContact O-N 3.43Å; M828-G831 VanDerWaalsContact O-N 3.08Å; M828-Q832 PolarHBondContact O-N 3.18Å; M828-Q832 VanDerWaalsContact O-N 3.13Å; M828-M1083 HydrophobicContact CB-CB 3.99Å; M828-M1083 HydrophobicContact CB-CE 4.48Å; M828-M1083 HydrophobicContact CG-CB 3.96Å; M828-V1084 HydrophobicContact CE-CG1 4.48Å; M828-V1084 HydrophobicContact CE-CG2 4.49Å; M828-V1084 HydrophobicContact CG-CG2 4.01Å; M828-V1084 HydrophobicContact SD-CG2 3.92Å; M828-I1133 HydrophobicContact CB-CG2 3.72Å |
| 829 | Q | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 1% | 0.014 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.9 | -37.4 | -174 | -168.3 | 58.8 | 76 | 0 | 0 | 112.8 | G825 M826 Q832 F833 N988 L994 L1128 | G825-Q829 PolarHBondContact O-N 3.18Å; G825-Q829 VanDerWaalsContact O-N 3.1Å; M826-Q829 PolarHBondContact O-N 2.66Å; M826-Q829 HydrophobicContact SD-CB 4.48Å; Q829-Q832 PolarHBondContact O-N 2.6Å; Q829-F833 PolarHBondContact O-N 2.95Å; Q829-N988 PolarHBondContact OE1-OD1 3.34Å; Q829-L994 HydrophobicContact CB-CD1 4.4Å; Q829-L994 HydrophobicContact CG-CD1 3.65Å; Q829-L994 HydrophobicContact CG-CG 4.05Å; Q829-L1128 HydrophobicContact CB-CD1 4.16Å; Q829-L1128 HydrophobicContact CB-CD2 4.04Å; Q829-L1128 HydrophobicContact CG-CD1 3.87Å; Q829-L1128 HydrophobicContact CG-CD2 4.45Å |
| 830 | W | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 172.9 | -175.8 | -92.1 | 0 | 0 | 0 | 112.2 | M826 M828 Q832 F833 L834 W998 M1033 I1036 T1037 W1041 L1283 F1302 | M826-W830 VanDerWaalsContact O-CB 3.32Å; M826-W830 WeakPolarHBondContact O-CB 3.32Å; M826-W830 PolarHBondContact O-N 2.91Å; M828-W830 VanDerWaalsContact C-N 3.33Å; M828-W830 PolarHBondContact O-N 2.75Å; W830-Q832 VanDerWaalsContact C-N 3.31Å; W830-Q832 PolarHBondContact O-N 3.06Å; W830-F833 HydrophobicContact CZ3-CD1 4.37Å; W830-F833 PolarHBondContact O-N 3.18Å; W830-L834 VanDerWaalsContact O-CB 3.25Å; W830-L834 WeakPolarHBondContact O-CB 3.48Å; W830-L834 PolarHBondContact O-N 3.46Å; W830-W998 HydrophobicContact CH2-CH2 4.34Å; W830-W998 AromaticContact CH2-CZ2 3.45Å; W830-W998 HydrophobicContact CH2-CZ2 3.45Å; W830-W998 VanDerWaalsContact CH2-CZ2 3.45Å; W830-W998 AromaticContact CZ3-CE2 3.9Å; W830-W998 AromaticContact CZ3-CZ2 3.6Å; W830-W998 HydrophobicContact CZ3-CZ2 3.6Å; W830-W998 AromaticContact CZ3-NE1 3.61Å; W830-M1033 HydrophobicContact CH2-CB 4.44Å; W830-M1033 HydrophobicContact CH2-CG 3.99Å; W830-M1033 HydrophobicContact CZ2-CB 4.42Å; W830-M1033 HydrophobicContact CZ2-CG 4.43Å; W830-I1036 HydrophobicContact CD2-CG2 4.11Å; W830-I1036 HydrophobicContact CH2-CB 4.16Å; W830-I1036 HydrophobicContact CH2-CD1 3.77Å; W830-I1036 HydrophobicContact CH2-CG2 3.88Å; W830-I1036 HydrophobicContact CZ2-CB 3.75Å; W830-I1036 HydrophobicContact CZ2-CD1 4.27Å; W830-I1036 HydrophobicContact CZ2-CG2 3.42Å; W830-I1036 VanDerWaalsContact CZ2-CG2 3.42Å; W830-I1036 HydrophobicContact CZ3-CD1 4.36Å; W830-I1036 HydrophobicContact CZ3-CG2 4.39Å; W830-T1037 PolarHBondContact NE1-OG1 3.4Å; W830-W1041 AromaticContact CD1-CD1 3.33Å; W830-W1041 AromaticContact CD1-CG 3.51Å; W830-W1041 AromaticContact CD1-NE1 3.81Å; W830-W1041 AromaticContact CG-CD1 3.99Å; W830-L1283 HydrophobicContact CD2-CD2 4.37Å; W830-L1283 HydrophobicContact CE3-CD1 4.13Å; W830-L1283 HydrophobicContact CE3-CD2 3.7Å; W830-L1283 HydrophobicContact CZ3-CD1 3.79Å; W830-L1283 HydrophobicContact CZ3-CD2 4.18Å; W830-F1302 HydrophobicContact CB-CE1 3.57Å; W830-F1302 HydrophobicContact CB-CZ 4.15Å; W830-F1302 HydrophobicContact CD2-CE1 4.38Å; W830-F1302 HydrophobicContact CD2-CZ 4.12Å; W830-F1302 AromaticContact CG-CE1 3.79Å; W830-F1302 HydrophobicContact CG-CE1 3.79Å; W830-F1302 AromaticContact CG-CZ 3.84Å; W830-F1302 HydrophobicContact CG-CZ 3.84Å |
| 831 | G | 98.2 | Very high | 97 | Very high | 8 Ų | 8 | 17.7 Ų | 17.7 | 8% | 0.082 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.2 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L827 M828 D835 W1041 | L827-G831 PolarHBondContact O-N 3.2Å; M828-G831 PolarHBondContact O-N 3.43Å; M828-G831 VanDerWaalsContact O-N 3.08Å; G831-D835 WeakPolarHBondContact O-CB 3.49Å; G831-D835 PolarHBondContact O-N 3.45Å; G831-W1041 VanDerWaalsContact CA-CZ2 3.46Å |
| 832 | Q | 98.1 | Very high | 97.1 | Very high | 42 Ų | 42 | 12.4 Ų | 12.4 | 20% | 0.196 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -67.1 | -45 | 175.1 | -172.7 | -176 | 25.6 | 0 | 0 | 112.2 | M828 Q829 W830 L834 D835 H836 E987 N988 L991 | M828-Q832 PolarHBondContact O-N 3.18Å; M828-Q832 VanDerWaalsContact O-N 3.13Å; Q829-Q832 PolarHBondContact O-N 2.6Å; W830-Q832 VanDerWaalsContact C-N 3.31Å; W830-Q832 PolarHBondContact O-N 3.06Å; Q832-L834 VanDerWaalsContact C-N 3.27Å; Q832-L834 PolarHBondContact O-N 3.36Å; Q832-D835 PolarHBondContact O-N 3.01Å; Q832-H836 PolarHBondContact O-CD2 2.78Å; Q832-H836 PolarHBondContact O-N 2.97Å; Q832-H836 VanDerWaalsContact O-N 3.1Å; Q832-E987 PolarHBondContact NE2-OE2 3.08Å; Q832-N988 PolarHBondContact OE1-ND2 2.95Å; Q832-L991 HydrophobicContact CG-CD1 4.44Å |
| 833 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 178.6 | -175.8 | -104.7 | 0 | 0 | 0 | 111.9 | Q829 W830 N921 V922 L991 L994 H995 W998 M1033 | Q829-F833 PolarHBondContact O-N 2.95Å; W830-F833 HydrophobicContact CZ3-CD1 4.37Å; W830-F833 PolarHBondContact O-N 3.18Å; F833-N921 WeakPolarHBondContact CD2-ND2 3.48Å; F833-N921 VanDerWaalsContact CE1-ND2 3.34Å; F833-N921 WeakPolarHBondContact CE1-ND2 3.49Å; F833-N921 VanDerWaalsContact CE2-ND2 3.28Å; F833-N921 WeakPolarHBondContact CE2-ND2 3.21Å; F833-N921 WeakPolarHBondContact CZ-ND2 3.3Å; F833-N921 PolarHBondContact O-ND2 3.26Å; F833-V922 HydrophobicContact CZ-CG2 4.06Å; F833-L991 HydrophobicContact CB-CD1 4.23Å; F833-L991 HydrophobicContact CD2-CD1 4.02Å; F833-L994 HydrophobicContact CB-CD1 3.66Å; F833-L994 HydrophobicContact CD2-CB 3.84Å; F833-L994 HydrophobicContact CD2-CD1 4.38Å; F833-L994 HydrophobicContact CE2-CB 4.16Å; F833-L994 HydrophobicContact CG-CB 4.2Å; F833-L994 HydrophobicContact CG-CD1 3.96Å; F833-H995 AromaticContact CE2-CE1 3.88Å; F833-H995 AromaticContact CE2-CG 3.91Å; F833-H995 AromaticContact CE2-ND1 3.82Å; F833-W998 AromaticContact CE1-CD1 3.36Å; F833-W998 HydrophobicContact CE1-CG 4.08Å; F833-W998 AromaticContact CE1-NE1 3.48Å; F833-W998 HydrophobicContact CZ-CB 4.22Å; F833-W998 AromaticContact CZ-CD1 3.27Å; F833-W998 AromaticContact CZ-CG 3.85Å; F833-W998 HydrophobicContact CZ-CG 3.85Å; F833-W998 AromaticContact CZ-NE1 3.92Å; F833-M1033 HydrophobicContact CD1-CE 4.17Å; F833-M1033 HydrophobicContact CE1-CE 3.64Å; F833-M1033 HydrophobicContact CE1-SD 4.11Å |
| 834 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -69.8 | -45.2 | 175.5 | 177.1 | 64.5 | 0 | 0 | 0 | 112.6 | W830 Q832 H836 D837 L838 I917 T1037 W1041 M1077 F1251 | W830-L834 VanDerWaalsContact O-CB 3.25Å; W830-L834 WeakPolarHBondContact O-CB 3.48Å; W830-L834 PolarHBondContact O-N 3.46Å; Q832-L834 VanDerWaalsContact C-N 3.27Å; Q832-L834 PolarHBondContact O-N 3.36Å; L834-H836 PolarHBondContact O-N 2.95Å; L834-D837 WeakPolarHBondContact O-CA 3.41Å; L834-D837 WeakPolarHBondContact O-CB 3.31Å; L834-D837 PolarHBondContact O-N 3.06Å; L834-L838 HydrophobicContact CD1-CD1 4.33Å; L834-L838 HydrophobicContact CD1-CG 4.47Å; L834-L838 HydrophobicContact CG-CD1 4.12Å; L834-L838 WeakPolarHBondContact O-CG 3.34Å; L834-L838 PolarHBondContact O-N 3.06Å; L834-I917 HydrophobicContact CD1-CD1 3.96Å; L834-I917 HydrophobicContact CD1-CG1 3.9Å; L834-I917 HydrophobicContact CD1-CG2 4.06Å; L834-T1037 HydrophobicContact CD1-CG2 4.4Å; L834-T1037 HydrophobicContact CD2-CG2 3.48Å; L834-T1037 VanDerWaalsContact CD2-CG2 3.48Å; L834-W1041 HydrophobicContact CD2-CE3 4.09Å; L834-W1041 HydrophobicContact CD2-CH2 4.47Å; L834-W1041 HydrophobicContact CD2-CZ3 4.04Å; L834-M1077 HydrophobicContact CD2-CE 4.37Å; L834-F1251 HydrophobicContact CD2-CE1 4.06Å; L834-F1251 HydrophobicContact CD2-CZ 3.88Å |
| 835 | D | 98.2 | Very high | 95.7 | Very high | 24 Ų | 24 | 6.3 Ų | 6.3 | 13% | 0.128 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -52.2 | -40.8 | 173.5 | 177.5 | -84.4 | 0 | 0 | 0 | 110.9 | G831 Q832 D837 L838 D839 R984 M1077 | G831-D835 WeakPolarHBondContact O-CB 3.49Å; G831-D835 PolarHBondContact O-N 3.45Å; Q832-D835 PolarHBondContact O-N 3.01Å; D835-D837 PolarHBondContact O-N 3.49Å; D835-L838 PolarHBondContact O-N 3.47Å; D835-D839 PolarHBondContact O-N 2.98Å; D835-R984 IonicContact OD1-NH1 3.93Å; D835-M1077 HydrophobicContact CB-CE 4.2Å; D835-M1077 HydrophobicContact CB-CG 4.23Å; D835-M1077 WeakPolarHBondContact OD2-CG 3.48Å |
| 836 | H | 97.8 | Very high | 95.1 | Very high | 11 Ų | 11 | 6.1 Ų | 6.1 | 5% | 0.051 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -72.2 | -7.2 | 178.2 | -67.8 | -161.3 | 0 | 0 | 0 | 115.1 | Q832 L834 I913 D982 R984 L991 | Q832-H836 PolarHBondContact O-CD2 2.78Å; Q832-H836 PolarHBondContact O-N 2.97Å; Q832-H836 VanDerWaalsContact O-N 3.1Å; L834-H836 PolarHBondContact O-N 2.95Å; H836-I913 WeakPolarHBondContact O-CD1 3.35Å; H836-D982 IonicContact ND1-OD2 3.21Å; H836-D982 PolarHBondContact ND1-OD2 2.76Å; H836-R984 VanDerWaalsContact CA-NH2 3.32Å; H836-R984 VanDerWaalsContact CD2-CZ 3.43Å; H836-R984 PolarHBondContact CD2-NH1 3.13Å; H836-R984 VanDerWaalsContact CD2-NH1 3.3Å; H836-R984 WeakPolarHBondContact CE1-CB 3.48Å; H836-R984 VanDerWaalsContact CG-CZ 3.45Å; H836-R984 PolarHBondContact ND1-NE 3.03Å; H836-R984 PolarHBondContact O-NH2 2.96Å; H836-L991 VanDerWaalsContact CE1-CD2 3.45Å; H836-L991 WeakPolarHBondContact CE1-CD2 3.36Å |
| 837 | D | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -96 | -11.6 | 169.7 | -162.4 | 15.6 | 0 | 0 | 0 | 111.9 | L834 D835 D918 A919 S920 N921 M1033 | L834-D837 WeakPolarHBondContact O-CA 3.41Å; L834-D837 WeakPolarHBondContact O-CB 3.31Å; L834-D837 PolarHBondContact O-N 3.06Å; D835-D837 PolarHBondContact O-N 3.49Å; D837-D918 PolarHBondContact OD2-N 2.85Å; D837-A919 WeakPolarHBondContact OD1-CA 3.27Å; D837-A919 PolarHBondContact OD1-N 3.17Å; D837-A919 WeakPolarHBondContact OD2-CA 3.49Å; D837-A919 PolarHBondContact OD2-N 3.35Å; D837-S920 PolarHBondContact O-OG 3.43Å; D837-S920 WeakPolarHBondContact OD1-CB 3.28Å; D837-S920 PolarHBondContact OD1-N 2.91Å; D837-S920 PolarHBondContact OD1-OG 2.92Å; D837-N921 HydrophobicContact CB-CB 4.37Å; D837-M1033 HydrophobicContact CB-CE 4.46Å; D837-M1033 VanDerWaalsContact OD2-CE 3.27Å; D837-M1033 WeakPolarHBondContact OD2-CE 3.47Å |
| 838 | L | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -109.5 | -44.9 | -172.7 | -63.7 | 177.5 | 0 | 0 | 0 | 112.5 | L834 D835 N911 T914 A915 I917 I1068 F1072 F1251 L1254 | L834-L838 HydrophobicContact CD1-CD1 4.33Å; L834-L838 HydrophobicContact CD1-CG 4.47Å; L834-L838 HydrophobicContact CG-CD1 4.12Å; L834-L838 WeakPolarHBondContact O-CG 3.34Å; L834-L838 PolarHBondContact O-N 3.06Å; D835-L838 PolarHBondContact O-N 3.47Å; L838-N911 PolarHBondContact O-ND2 3.41Å; L838-T914 VanDerWaalsContact O-O 3.07Å; L838-A915 WeakPolarHBondContact CD2-O 3.46Å; L838-I917 HydrophobicContact CD2-CG1 3.81Å; L838-I1068 HydrophobicContact CB-CD1 4.09Å; L838-I1068 HydrophobicContact CB-CG1 4.47Å; L838-I1068 HydrophobicContact CD2-CD1 4.38Å; L838-I1068 VanDerWaalsContact O-CG1 3.32Å; L838-I1068 WeakPolarHBondContact O-CG1 3.34Å; L838-F1072 HydrophobicContact CD1-CE1 4.07Å; L838-F1072 HydrophobicContact CD1-CZ 4.12Å; L838-F1251 HydrophobicContact CD1-CE1 4.38Å; L838-F1251 HydrophobicContact CD1-CZ 4.12Å; L838-L1254 HydrophobicContact CD1-CD1 4.23Å; L838-L1254 HydrophobicContact CD2-CD1 3.7Å |
| 839 | D | 97.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 7.2 Ų | 7.2 | 3% | 0.027 | 4% | 0.037 | C | C | . | . | trans | -144.4 | 145.5 | -179.2 | 62.9 | -109 | 0 | 0 | 0 | 116 | F712 D835 N911 I913 R984 I1068 A1073 | F712-D839 HydrophobicContact CE1-CB 3.94Å; F712-D839 HydrophobicContact CZ-CB 4.3Å; D835-D839 PolarHBondContact O-N 2.98Å; D839-N911 WeakPolarHBondContact CA-OD1 3.1Å; D839-I913 VanDerWaalsContact C-CD1 3.47Å; D839-R984 PolarHBondContact O-NH1 3.1Å; D839-R984 PolarHBondContact O-NH2 3.01Å; D839-I1068 HydrophobicContact CB-CG2 4.3Å; D839-A1073 HydrophobicContact CB-CB 3.82Å; D839-A1073 WeakPolarHBondContact OD1-CA 3.06Å; D839-A1073 WeakPolarHBondContact OD1-CB 3.35Å; D839-A1073 WeakPolarHBondContact OD2-CB 3.38Å | ||
| 840 | F | 95.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 8.6 Ų | 8.6 | 2% | 0.022 | 4% | 0.043 | C | C | . | . | trans | -148 | 107.2 | 172.3 | -173.9 | -123.3 | 0 | 0 | 0 | 109.3 | F591 P842 N911 Q912 I913 R984 | F591-F840 WeakPolarHBondContact O-CE2 3.45Å; F591-F840 WeakPolarHBondContact O-CZ 3.31Å; F840-P842 VanDerWaalsContact O-CD 3.26Å; F840-P842 WeakPolarHBondContact O-CD 3.43Å; F840-N911 PolarHBondContact N-OD1 3.5Å; F840-N911 PolarHBondContact O-OD1 3.41Å; F840-Q912 HydrophobicContact CD1-CB 3.96Å; F840-Q912 HydrophobicContact CD1-CG 4.21Å; F840-Q912 PolarHBondContact O-N 3.11Å; F840-I913 HydrophobicContact CB-CD1 3.97Å; F840-I913 HydrophobicContact CB-CG1 3.87Å; F840-I913 HydrophobicContact CB-CG2 3.98Å; F840-R984 HydrophobicContact CD2-CG 4.26Å; F840-R984 HydrophobicContact CE2-CG 3.77Å | ||
| 841 | T | 94.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 11.9 Ų | 11.9 | 6% | 0.055 | 7% | 0.066 | C | C | . | . | trans | -92.8 | 107.4 | 174.1 | -46.6 | 0 | 0 | 0 | 0 | 110.8 | F712 Q909 | F712-T841 HydrophobicContact CE2-CG2 4.34Å; F712-T841 WeakPolarHBondContact CE2-OG1 3.41Å; F712-T841 WeakPolarHBondContact CZ-OG1 3.33Å; T841-Q909 HydrophobicContact CG2-CB 4.25Å | ||
| 842 | P | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 151.8 | 177.5 | 27.2 | -33.5 | 0 | 0 | 0 | 111.7 | R592 P594 F840 S888 S889 L910 Q912 | R592-P842 CarbonylContact O-C 3.24Å; R592-P842 VanDerWaalsContact O-CA 3.27Å; R592-P842 WeakPolarHBondContact O-CA 3.37Å; P594-P842 HydrophobicContact CB-CB 3.81Å; F840-P842 VanDerWaalsContact O-CD 3.26Å; F840-P842 WeakPolarHBondContact O-CD 3.43Å; P842-S888 WeakPolarHBondContact O-CA 3.06Å; P842-S889 PolarHBondContact O-N 3.31Å; P842-L910 HydrophobicContact CG-CD2 4.44Å; P842-Q912 HydrophobicContact CG-CB 4.44Å |
| 843 | V | 88.6 | Confident | 90.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.08 | C | C | . | . | B | Isolated β-bridge | trans | -67.4 | 153.3 | 163.9 | 70.3 | 0 | 0 | 0 | 0 | 109 | R592 T847 S886 S889 | R592-V843 HydrophobicContact CB-CB 4.12Å; R592-V843 HydrophobicContact CB-CG1 4.38Å; R592-V843 WeakPolarHBondContact O-CG1 3.45Å; R592-V843 PolarHBondContact O-N 2.78Å; V843-T847 HydrophobicContact CG1-CG2 4.41Å; V843-T847 HydrophobicContact CG2-CG2 4.17Å; V843-S886 VanDerWaalsContact CG2-CB 3.5Å; V843-S889 VanDerWaalsContact C-OG 3.3Å; V843-S889 PolarHBondContact O-OG 3.35Å |
| 844 | D | 85.9 | Confident | 89.8 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.011 | 10% | 0.096 | C | C | . | . | P | Polyproline II helix | trans | -46.2 | 158 | 172.9 | -144.4 | -54 | 0 | 0 | 0 | 112.8 | E606 S846 P865 R887 R907 | E606-D844 VanDerWaalsContact CG-OD1 3.31Å; E606-D844 WeakPolarHBondContact CG-OD1 3.42Å; D844-S846 PolarHBondContact O-N 3.04Å; D844-P865 HydrophobicContact CB-CB 3.61Å; D844-P865 HydrophobicContact CB-CG 4.27Å; D844-R887 PolarHBondContact N-O 2.89Å; D844-R907 IonicContact OD2-NH2 2.89Å; D844-R907 PolarHBondContact OD2-NH2 3.2Å |
| 845 | A | 82.5 | Confident | 89.1 | Confident | 2 Ų | 2 | 17.1 Ų | 17.1 | 2% | 0.017 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -55.9 | -22.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I568 L599 A602 | I568-A845 HydrophobicContact CD1-CB 3.74Å; I568-A845 HydrophobicContact CG1-CB 3.87Å; I568-A845 WeakPolarHBondContact CG1-O 3.43Å; L599-A845 HydrophobicContact CD1-CB 3.84Å; A602-A845 HydrophobicContact CB-CB 4.21Å |
| 846 | S | 85.7 | Confident | 88.6 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -127.8 | 148.5 | 174.8 | 179 | 0 | 0 | 0 | 0 | 111.6 | A567 T571 D844 S848 P865 | A567-S846 WeakPolarHBondContact CB-OG 3.35Å; A567-S846 PolarHBondContact O-OG 2.89Å; T571-S846 PolarHBondContact OG1-OG 3.27Å; T571-S846 VanDerWaalsContact OG1-OG 3.04Å; D844-S846 PolarHBondContact O-N 3.04Å; S846-S848 WeakPolarHBondContact OG-CA 3.42Å; S846-S848 PolarHBondContact OG-N 3.46Å; S846-S848 PolarHBondContact OG-O 3Å; S846-P865 WeakPolarHBondContact O-CG 3.3Å | ||
| 847 | T | 85.1 | Confident | 87.9 | Confident | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.031 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -103.6 | 16.3 | 165.3 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | T571 S589 V843 C856 | T571-T847 HydrophobicContact CG2-CG2 3.97Å; T571-T847 VanDerWaalsContact CG2-OG1 3.31Å; T571-T847 WeakPolarHBondContact CG2-OG1 3.23Å; T571-T847 PolarHBondContact OG1-N 2.87Å; S589-T847 WeakPolarHBondContact OG-CG2 3.33Å; V843-T847 HydrophobicContact CG1-CG2 4.41Å; V843-T847 HydrophobicContact CG2-CG2 4.17Å; T847-C856 PolarHBondContact O-N 2.85Å; T847-C856 PolarHBondContact O-SG 3.18Å |
| 848 | S | 86.3 | Confident | 87.3 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -125.1 | 140.9 | 179.7 | -48.6 | 0 | 0 | 0 | 0 | 109.4 | T571 S846 F850 L854 P865 | T571-S848 PolarHBondContact OG1-OG 3.48Å; S846-S848 WeakPolarHBondContact OG-CA 3.42Å; S846-S848 PolarHBondContact OG-N 3.46Å; S846-S848 PolarHBondContact OG-O 3Å; S848-F850 PolarHBondContact O-N 3.46Å; S848-L854 CarbonylContact C-O 3.46Å; S848-L854 VanDerWaalsContact CA-O 3.31Å; S848-L854 WeakPolarHBondContact CA-O 3.5Å; S848-P865 WeakPolarHBondContact O-CD 3.47Å |
| 849 | R | 85.5 | Confident | 86.7 | Confident | 32 Ų | 32 | 23.1 Ų | 23.1 | 12% | 0.121 | 13% | 0.127 | C | C | . | . | trans | -52.1 | 136.1 | 179.5 | -68.7 | 173.7 | 62.4 | -164.4 | 8.9 | 110.7 | S851 D852 G853 L854 T859 D863 P864 C866 | R849-S851 PolarHBondContact NE-OG 3.22Å; R849-S851 PolarHBondContact NH2-OG 2.99Å; R849-S851 PolarHBondContact O-N 3.08Å; R849-D852 WeakPolarHBondContact CB-OD1 3.4Å; R849-D852 IonicContact CZ-OD2 2.75Å; R849-D852 IonicContact NE-OD1 3.25Å; R849-D852 IonicContact NH1-OD1 3.87Å; R849-D852 IonicContact NH1-OD2 2.86Å; R849-D852 PolarHBondContact NH1-OD2 2.88Å; R849-G853 WeakPolarHBondContact O-CA 3.43Å; R849-G853 PolarHBondContact O-N 3.01Å; R849-L854 PolarHBondContact N-O 2.72Å; R849-T859 HydrophobicContact CG-CG2 4.29Å; R849-D863 HydrophobicContact CG-CB 4.32Å; R849-D863 IonicContact CZ-OD2 2.67Å; R849-D863 IonicContact NE-OD2 3.49Å; R849-D863 PolarHBondContact NE-OD2 2.96Å; R849-D863 IonicContact NH2-OD2 2.85Å; R849-D863 PolarHBondContact NH2-OD2 3.02Å; R849-P864 WeakPolarHBondContact CA-O 3.48Å; R849-C866 HydrophobicContact CG-CB 4.27Å; R849-C866 WeakPolarHBondContact CG-SG 2.98Å | ||
| 850 | F | 84.1 | Confident | 86.4 | Confident | 32 Ų | 32 | 25.1 Ų | 25.1 | 14% | 0.14 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21 | 178.8 | -59.8 | -55.8 | 0 | 0 | 0 | 113 | I564 A567 E606 S848 P864 P865 | I564-F850 HydrophobicContact CG1-CD1 3.97Å; I564-F850 HydrophobicContact CG1-CE1 4.27Å; I564-F850 HydrophobicContact CG1-CG 4.4Å; I564-F850 HydrophobicContact CG2-CE1 4.4Å; A567-F850 HydrophobicContact CB-CD1 3.86Å; A567-F850 HydrophobicContact CB-CE1 4.38Å; E606-F850 HydrophobicContact CB-CZ 4.41Å; E606-F850 HydrophobicContact CG-CE2 4.41Å; E606-F850 HydrophobicContact CG-CZ 4.11Å; E606-F850 WeakPolarHBondContact OE2-CE2 3.11Å; S848-F850 PolarHBondContact O-N 3.46Å; F850-P864 HydrophobicContact CD2-CB 4.01Å; F850-P864 VanDerWaalsContact CD2-O 3.28Å; F850-P864 WeakPolarHBondContact CD2-O 3.42Å; F850-P864 HydrophobicContact CE2-CB 4.22Å; F850-P864 PolarHBondContact N-O 3.41Å; F850-P865 HydrophobicContact CE1-CG 4.36Å; F850-P865 HydrophobicContact CE2-CB 3.95Å; F850-P865 HydrophobicContact CE2-CG 3.98Å; F850-P865 HydrophobicContact CZ-CB 4.08Å; F850-P865 HydrophobicContact CZ-CG 3.85Å |
| 851 | S | 82.2 | Confident | 86.1 | Confident | 68 Ų | 68 | 29.3 Ų | 29.3 | 48% | 0.476 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -46.3 | -177.8 | 55.8 | 0 | 0 | 0 | 0 | 113.7 | R849 D863 | R849-S851 PolarHBondContact NE-OG 3.22Å; R849-S851 PolarHBondContact NH2-OG 2.99Å; R849-S851 PolarHBondContact O-N 3.08Å; S851-D863 WeakPolarHBondContact CB-OD2 3.5Å; S851-D863 PolarHBondContact OG-OD2 2.91Å |
| 852 | D | 82.3 | Confident | 86 | Confident | 79 Ų | 79 | 30.8 Ų | 30.8 | 42% | 0.422 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | -11.2 | -174.4 | 59.4 | 14.8 | 0 | 0 | 0 | 113.9 | K570 R849 L854 | K570-D852 PolarHBondContact NZ-O 3.06Å; R849-D852 WeakPolarHBondContact CB-OD1 3.4Å; R849-D852 IonicContact CZ-OD2 2.75Å; R849-D852 IonicContact NE-OD1 3.25Å; R849-D852 IonicContact NH1-OD1 3.87Å; R849-D852 IonicContact NH1-OD2 2.86Å; R849-D852 PolarHBondContact NH1-OD2 2.88Å; D852-L854 VanDerWaalsContact C-N 3.33Å; D852-L854 VanDerWaalsContact OD1-CB 3.23Å; D852-L854 WeakPolarHBondContact OD1-CB 3.19Å; D852-L854 PolarHBondContact OD1-N 3.33Å |
| 853 | G | 81.4 | Confident | 85.8 | Confident | 15 Ų | 15 | 32.4 Ų | 32.4 | 16% | 0.155 | 18% | 0.179 | C | C | . | . | trans | 74.6 | 17.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R849 | R849-G853 WeakPolarHBondContact O-CA 3.43Å; R849-G853 PolarHBondContact O-N 3.01Å | ||
| 854 | L | 85.2 | Confident | 85.6 | Confident | 65 Ų | 65 | 34.7 Ų | 34.7 | 34% | 0.34 | 19% | 0.194 | S | C | . | . | trans | -72.5 | 138.9 | 172.8 | -170.2 | 67.8 | 0 | 0 | 0 | 110.2 | S848 R849 D852 E858 T859 | S848-L854 CarbonylContact C-O 3.46Å; S848-L854 VanDerWaalsContact CA-O 3.31Å; S848-L854 WeakPolarHBondContact CA-O 3.5Å; R849-L854 PolarHBondContact N-O 2.72Å; D852-L854 VanDerWaalsContact C-N 3.33Å; D852-L854 VanDerWaalsContact OD1-CB 3.23Å; D852-L854 WeakPolarHBondContact OD1-CB 3.19Å; D852-L854 PolarHBondContact OD1-N 3.33Å; L854-E858 HydrophobicContact CD1-CB 4.02Å; L854-E858 HydrophobicContact CG-CB 4.08Å; L854-T859 HydrophobicContact CD2-CG2 4.46Å | ||
| 855 | G | 85 | Confident | 85.8 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -66.3 | 144.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N857 E858 T859 | G855-N857 PolarHBondContact O-N 2.87Å; G855-E858 PolarHBondContact N-OE2 3.39Å; G855-E858 VanDerWaalsContact N-OE2 3.12Å; G855-E858 WeakPolarHBondContact O-CB 3.4Å; G855-E858 PolarHBondContact O-N 2.91Å; G855-T859 WeakPolarHBondContact O-CG2 3.36Å; G855-T859 PolarHBondContact O-N 3.37Å |
| 856 | C | 87.6 | Confident | 86.3 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -11.9 | 179.4 | -61.6 | 0 | 0 | 0 | 0 | 114.7 | T847 C866 G884 S886 | T847-C856 PolarHBondContact O-N 2.85Å; T847-C856 PolarHBondContact O-SG 3.18Å; C856-C866 WeakPolarHBondContact CA-SG 3.5Å; C856-C866 HydrophobicContact CB-CB 3.66Å; C856-C866 WeakPolarHBondContact CB-SG 3.33Å; C856-C866 WeakPolarHBondContact SG-CA 3.32Å; C856-C866 WeakPolarHBondContact SG-CB 3.27Å; C856-C866 CovalentContact SG-SG 2.03Å; C856-C866 PolarHBondContact SG-SG 3.05Å; C856-G884 WeakPolarHBondContact O-CA 3.46Å; C856-S886 PolarHBondContact SG-OG 3.23Å |
| 857 | N | 83.6 | Confident | 86.7 | Confident | 51 Ų | 51 | 34.7 Ų | 34.7 | 27% | 0.273 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -8.1 | 172.9 | 70.8 | -38.1 | 0 | 0 | 0 | 113.6 | R574 S583 A585 G855 | R574-N857 VanDerWaalsContact CZ-OD1 3.24Å; R574-N857 PolarHBondContact NH1-OD1 2.72Å; R574-N857 PolarHBondContact NH2-ND2 2.98Å; R574-N857 PolarHBondContact NH2-OD1 2.85Å; S583-N857 PolarHBondContact OG-ND2 3.29Å; A585-N857 HydrophobicContact CB-CB 4.31Å; G855-N857 PolarHBondContact O-N 2.87Å |
| 858 | E | 84.3 | Confident | 87.1 | Confident | 97 Ų | 97 | 34.5 Ų | 34.5 | 45% | 0.453 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -7.8 | 179.5 | -70.3 | 157 | -170.1 | 0 | 0 | 111.4 | R574 R580 L854 G855 | R574-E858 IonicContact NH1-OE1 3.27Å; R574-E858 PolarHBondContact NH1-OE1 2.83Å; R574-E858 VanDerWaalsContact NH1-OE1 3.1Å; R580-E858 IonicContact NH1-OE1 2.67Å; R580-E858 IonicContact NH2-OE1 2.68Å; R580-E858 PolarHBondContact NH2-OE1 3.08Å; L854-E858 HydrophobicContact CD1-CB 4.02Å; L854-E858 HydrophobicContact CG-CB 4.08Å; G855-E858 PolarHBondContact N-OE2 3.39Å; G855-E858 VanDerWaalsContact N-OE2 3.12Å; G855-E858 WeakPolarHBondContact O-CB 3.4Å; G855-E858 PolarHBondContact O-N 2.91Å |
| 859 | T | 87.1 | Confident | 87.4 | Confident | 10 Ų | 10 | 34.4 Ų | 34.4 | 6% | 0.061 | 19% | 0.191 | C | C | . | . | trans | -133.9 | 146.6 | -178 | -174.9 | 0 | 0 | 0 | 0 | 111.4 | R849 L854 G855 I861 | R849-T859 HydrophobicContact CG-CG2 4.29Å; L854-T859 HydrophobicContact CD2-CG2 4.46Å; G855-T859 WeakPolarHBondContact O-CG2 3.36Å; G855-T859 PolarHBondContact O-N 3.37Å; T859-I861 WeakPolarHBondContact OG1-CB 3.27Å; T859-I861 WeakPolarHBondContact OG1-CG1 3.15Å; T859-I861 PolarHBondContact OG1-N 3.5Å; T859-I861 VanDerWaalsContact OG1-N 3.12Å | ||
| 860 | C | 89.9 | Confident | 87.8 | Confident | 46 Ų | 46 | 36.6 Ų | 36.6 | 31% | 0.311 | 21% | 0.205 | S | C | . | . | trans | -106.7 | 13.8 | 170.3 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | C882 | C860-C882 WeakPolarHBondContact CA-SG 3.38Å; C860-C882 HydrophobicContact CB-CB 3.75Å; C860-C882 WeakPolarHBondContact CB-SG 3.24Å; C860-C882 WeakPolarHBondContact SG-CB 3.49Å; C860-C882 CovalentContact SG-SG 2.04Å; C860-C882 PolarHBondContact SG-SG 2.98Å | ||
| 861 | I | 89.9 | Confident | 88.3 | Confident | 94 Ų | 94 | 36 Ų | 36 | 48% | 0.482 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -85.6 | 132.3 | 178.3 | -58.7 | 174.6 | 0 | 0 | 0 | 108.4 | T859 D863 | T859-I861 WeakPolarHBondContact OG1-CB 3.27Å; T859-I861 WeakPolarHBondContact OG1-CG1 3.15Å; T859-I861 PolarHBondContact OG1-N 3.5Å; T859-I861 VanDerWaalsContact OG1-N 3.12Å; I861-D863 HydrophobicContact CG2-CB 4.37Å; I861-D863 PolarHBondContact O-N 2.91Å |
| 862 | N | 91.4 | Very high | 88.7 | Confident | 40 Ų | 40 | 33.5 Ų | 33.5 | 21% | 0.214 | 19% | 0.185 | C | C | . | . | trans | -74.2 | 107.5 | 169.9 | -66.4 | -17.9 | 0 | 0 | 0 | 108.5 | W730 P868 | W730-N862 HydrophobicContact CD2-CB 3.7Å; W730-N862 VanDerWaalsContact CE2-CB 3.46Å; W730-N862 HydrophobicContact CE3-CB 3.91Å; W730-N862 HydrophobicContact CG-CB 4.4Å; W730-N862 VanDerWaalsContact CH2-C 3.49Å; W730-N862 HydrophobicContact CH2-CB 3.72Å; W730-N862 HydrophobicContact CZ2-CB 3.5Å; W730-N862 VanDerWaalsContact CZ2-CB 3.5Å; W730-N862 VanDerWaalsContact CZ2-O 3.28Å; W730-N862 WeakPolarHBondContact CZ2-O 3.36Å; W730-N862 HydrophobicContact CZ3-CB 3.91Å; W730-N862 PolarHBondContact O-ND2 3.04Å; N862-P868 WeakPolarHBondContact OD1-CD 3.49Å | ||
| 863 | D | 88.6 | Confident | 88.9 | Confident | 34 Ų | 34 | 36.7 Ų | 36.7 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -159 | 121.9 | 179.3 | -177.1 | 15.9 | 0 | 0 | 0 | 109 | R849 S851 I861 C866 | R849-D863 HydrophobicContact CG-CB 4.32Å; R849-D863 IonicContact CZ-OD2 2.67Å; R849-D863 IonicContact NE-OD2 3.49Å; R849-D863 PolarHBondContact NE-OD2 2.96Å; R849-D863 IonicContact NH2-OD2 2.85Å; R849-D863 PolarHBondContact NH2-OD2 3.02Å; S851-D863 WeakPolarHBondContact CB-OD2 3.5Å; S851-D863 PolarHBondContact OG-OD2 2.91Å; I861-D863 HydrophobicContact CG2-CB 4.37Å; I861-D863 PolarHBondContact O-N 2.91Å; D863-C866 PolarHBondContact N-O 3.42Å; D863-C866 VanDerWaalsContact N-O 3.13Å; D863-C866 WeakPolarHBondContact O-CA 3.46Å; D863-C866 WeakPolarHBondContact O-CB 3.34Å; D863-C866 PolarHBondContact O-N 3.49Å |
| 864 | P | 85 | Confident | 89.3 | Confident | 48 Ų | 48 | 41 Ų | 41 | 31% | 0.312 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 138.4 | -172.3 | -30.6 | 37.2 | 0 | 0 | 0 | 114.9 | W730 R849 F850 C866 | W730-P864 HydrophobicContact CH2-CG 4.33Å; R849-P864 WeakPolarHBondContact CA-O 3.48Å; F850-P864 HydrophobicContact CD2-CB 4.01Å; F850-P864 VanDerWaalsContact CD2-O 3.28Å; F850-P864 WeakPolarHBondContact CD2-O 3.42Å; F850-P864 HydrophobicContact CE2-CB 4.22Å; F850-P864 PolarHBondContact N-O 3.41Å; P864-C866 VanDerWaalsContact C-N 3.31Å |
| 865 | P | 89.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.6 | 16.1 | 1.2 | 34.1 | -29.7 | 0 | 0 | 0 | 113.3 | D844 S846 S848 F850 S886 R887 | D844-P865 HydrophobicContact CB-CB 3.61Å; D844-P865 HydrophobicContact CB-CG 4.27Å; S846-P865 WeakPolarHBondContact O-CG 3.3Å; S848-P865 WeakPolarHBondContact O-CD 3.47Å; F850-P865 HydrophobicContact CE1-CG 4.36Å; F850-P865 HydrophobicContact CE2-CB 3.95Å; F850-P865 HydrophobicContact CE2-CG 3.98Å; F850-P865 HydrophobicContact CZ-CB 4.08Å; F850-P865 HydrophobicContact CZ-CG 3.85Å; P865-S886 CarbonylContact O-C 3Å; P865-S886 WeakPolarHBondContact O-CA 3.48Å; P865-R887 WeakPolarHBondContact O-CG 3.23Å; P865-R887 PolarHBondContact O-N 3.3Å |
| 866 | C | 92.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -86.5 | 129.4 | -174.8 | -50.4 | 0 | 0 | 0 | 0 | 113 | R849 C856 D863 P864 | R849-C866 HydrophobicContact CG-CB 4.27Å; R849-C866 WeakPolarHBondContact CG-SG 2.98Å; C856-C866 WeakPolarHBondContact CA-SG 3.5Å; C856-C866 HydrophobicContact CB-CB 3.66Å; C856-C866 WeakPolarHBondContact CB-SG 3.33Å; C856-C866 WeakPolarHBondContact SG-CA 3.32Å; C856-C866 WeakPolarHBondContact SG-CB 3.27Å; C856-C866 CovalentContact SG-SG 2.03Å; C856-C866 PolarHBondContact SG-SG 3.05Å; D863-C866 PolarHBondContact N-O 3.42Å; D863-C866 VanDerWaalsContact N-O 3.13Å; D863-C866 WeakPolarHBondContact O-CA 3.46Å; D863-C866 WeakPolarHBondContact O-CB 3.34Å; D863-C866 PolarHBondContact O-N 3.49Å; P864-C866 VanDerWaalsContact C-N 3.31Å |
| 867 | F | 93.3 | Very high | 89.3 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 1% | 0.013 | 25% | 0.249 | C | C | . | . | trans | -138.3 | 64.1 | 173.2 | -178.3 | -143.2 | 0 | 0 | 0 | 111.2 | P727 W730 F885 R887 Q1167 R1170 | P727-F867 HydrophobicContact CB-CD1 3.97Å; P727-F867 HydrophobicContact CB-CE1 3.44Å; P727-F867 VanDerWaalsContact CB-CE1 3.44Å; P727-F867 HydrophobicContact CB-CZ 3.78Å; P727-F867 HydrophobicContact CG-CD1 3.99Å; P727-F867 HydrophobicContact CG-CE1 4Å; W730-F867 AromaticContact CE3-CD2 3.7Å; W730-F867 HydrophobicContact CE3-CD2 3.7Å; W730-F867 HydrophobicContact CE3-CE2 4.11Å; W730-F867 HydrophobicContact CE3-CG 4.21Å; W730-F867 HydrophobicContact CZ3-CB 4.09Å; W730-F867 HydrophobicContact CZ3-CD2 4.02Å; W730-F867 HydrophobicContact CZ3-CG 4.22Å; F867-F885 HydrophobicContact CB-CD1 3.99Å; F867-F885 HydrophobicContact CB-CE1 4.37Å; F867-F885 HydrophobicContact CD1-CD1 4.46Å; F867-F885 HydrophobicContact CD1-CE1 4.26Å; F867-F885 PolarHBondContact N-O 3.49Å; F867-F885 WeakPolarHBondContact O-CB 3.36Å; F867-F885 WeakPolarHBondContact O-CD1 3.44Å; F867-R887 HydrophobicContact CB-CG 4.04Å; F867-Q1167 HydrophobicContact CD1-CG 4.12Å; F867-Q1167 HydrophobicContact CE1-CG 4.12Å; F867-Q1167 VanDerWaalsContact CE1-NE2 3.27Å; F867-Q1167 VanDerWaalsContact CZ-NE2 3.32Å; F867-Q1167 PolarHBondContact O-NE2 2.81Å; F867-R1170 HydrophobicContact CE1-CB 4.3Å | ||
| 868 | P | 93.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | trans | -59.2 | 150.1 | -169.8 | 23.6 | -34.4 | 0 | 0 | 0 | 114.2 | N862 C882 I883 Q1167 | N862-P868 WeakPolarHBondContact OD1-CD 3.49Å; P868-C882 HydrophobicContact CB-CB 3.97Å; P868-I883 WeakPolarHBondContact CA-O 3.36Å; P868-Q1167 PolarHBondContact O-NE2 3.45Å | ||
| 869 | I | 94.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.3 | 177.5 | -60.8 | 167 | 0 | 0 | 0 | 109.1 | A744 R745 C882 I883 F885 A1163 L1164 Q1167 | A744-I869 HydrophobicContact CB-CG2 3.99Å; R745-I869 HydrophobicContact CB-CG2 4.01Å; I869-C882 CarbonylContact O-C 3.55Å; I869-C882 WeakPolarHBondContact O-CA 3.44Å; I869-C882 VanDerWaalsContact O-CB 3.31Å; I869-C882 WeakPolarHBondContact O-CB 3.32Å; I869-I883 HydrophobicContact CB-CB 4.24Å; I869-I883 PolarHBondContact N-O 2.78Å; I869-I883 PolarHBondContact O-N 2.84Å; I869-F885 HydrophobicContact CD1-CD2 4.35Å; I869-F885 HydrophobicContact CG1-CB 4.44Å; I869-A1163 HydrophobicContact CD1-CB 4.11Å; I869-A1163 HydrophobicContact CG2-CB 4.39Å; I869-L1164 HydrophobicContact CD1-CD2 3.94Å; I869-L1164 HydrophobicContact CD1-CG 4.48Å; I869-Q1167 HydrophobicContact CD1-CB 3.9Å; I869-Q1167 HydrophobicContact CD1-CG 4.21Å; I869-Q1167 HydrophobicContact CG1-CB 3.81Å; I869-Q1167 HydrophobicContact CG1-CG 3.62Å |
| 870 | L | 93.3 | Very high | 88.8 | Confident | 78 Ų | 78 | 51.3 Ų | 51.3 | 41% | 0.408 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 137.6 | 179.2 | -58.6 | -179.9 | 0 | 0 | 0 | 112.5 | S743 C882 | S743-L870 WeakPolarHBondContact CB-O 3.32Å; S743-L870 PolarHBondContact OG-O 3.38Å; L870-C882 HydrophobicContact CD2-CB 4.4Å |
| 871 | I | 93.6 | Very high | 88.7 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -93.7 | 130.9 | 179.7 | -55.6 | -53.6 | 0 | 0 | 0 | 110.3 | R745 D875 I878 H880 R881 I883 | R745-I871 HydrophobicContact CB-CD1 4.05Å; R745-I871 HydrophobicContact CG-CD1 3.9Å; I871-D875 HydrophobicContact CG2-CB 3.43Å; I871-D875 VanDerWaalsContact CG2-CB 3.43Å; I871-I878 HydrophobicContact CD1-CB 4.39Å; I871-I878 HydrophobicContact CD1-CD1 3.63Å; I871-I878 HydrophobicContact CD1-CG2 4.17Å; I871-I878 HydrophobicContact CG1-CB 4.3Å; I871-I878 HydrophobicContact CG1-CD1 4.42Å; I871-I878 HydrophobicContact CG1-CG2 3.79Å; I871-I878 HydrophobicContact CG2-CB 3.98Å; I871-I878 HydrophobicContact CG2-CG2 4.2Å; I871-H880 WeakPolarHBondContact CG1-O 3.27Å; I871-R881 PolarHBondContact N-O 2.91Å; I871-I883 HydrophobicContact CD1-CD1 3.83Å; I871-I883 HydrophobicContact CD1-CG1 3.96Å |
| 872 | P | 91 | Very high | 88.7 | Confident | 14 Ų | 14 | 55.2 Ų | 55.2 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 140.3 | 171.2 | -24.6 | 36 | 0 | 0 | 0 | 111.7 | L746 D874 D875 | L746-P872 HydrophobicContact CB-CG 3.84Å; L746-P872 HydrophobicContact CD1-CG 4.03Å; L746-P872 HydrophobicContact CG-CG 4.49Å; P872-D874 VanDerWaalsContact CB-OD1 3.29Å; P872-D874 WeakPolarHBondContact CB-OD1 3.37Å; P872-D874 PolarHBondContact O-N 3.14Å; P872-D875 WeakPolarHBondContact O-CB 3.43Å; P872-D875 PolarHBondContact O-N 3.2Å |
| 873 | P | 87.2 | Confident | 88.6 | Confident | 146 Ų | 146 | 53.4 Ų | 53.4 | 95% | 0.948 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -26.2 | -177.1 | -26.7 | 34.5 | 0 | 0 | 0 | 115.2 | ||
| 874 | D | 88.8 | Confident | 88.6 | Confident | 105 Ų | 105 | 52.3 Ų | 52.3 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 12.9 | -178.8 | 66.4 | -29.9 | 0 | 0 | 0 | 113.5 | R749 P872 | R749-D874 IonicContact CZ-OD1 3.78Å; R749-D874 IonicContact CZ-OD2 3.46Å; R749-D874 IonicContact NH1-OD1 2.74Å; R749-D874 PolarHBondContact NH1-OD1 3.11Å; R749-D874 IonicContact NH1-OD2 3.86Å; R749-D874 PolarHBondContact NH1-OD2 2.9Å; R749-D874 IonicContact NH2-OD1 3.07Å; R749-D874 PolarHBondContact NH2-OD1 3.4Å; R749-D874 IonicContact NH2-OD2 3.83Å; R749-D874 PolarHBondContact NH2-OD2 2.8Å; P872-D874 VanDerWaalsContact CB-OD1 3.29Å; P872-D874 WeakPolarHBondContact CB-OD1 3.37Å; P872-D874 PolarHBondContact O-N 3.14Å |
| 875 | D | 89.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | trans | -61.3 | 125 | -179.8 | -164.3 | -67.2 | 0 | 0 | 0 | 111.5 | R745 I871 P872 R877 I878 K879 | R745-D875 WeakPolarHBondContact CG-OD2 3.43Å; R745-D875 IonicContact CZ-OD2 3.42Å; R745-D875 IonicContact NE-OD2 2.7Å; R745-D875 PolarHBondContact NE-OD2 2.83Å; R745-D875 IonicContact NH2-OD1 3.7Å; R745-D875 IonicContact NH2-OD2 2.79Å; R745-D875 PolarHBondContact NH2-OD2 2.95Å; I871-D875 HydrophobicContact CG2-CB 3.43Å; I871-D875 VanDerWaalsContact CG2-CB 3.43Å; P872-D875 WeakPolarHBondContact O-CB 3.43Å; P872-D875 PolarHBondContact O-N 3.2Å; D875-R877 VanDerWaalsContact C-N 3.31Å; D875-R877 PolarHBondContact O-N 3.24Å; D875-R877 PolarHBondContact OD1-N 3.06Å; D875-I878 PolarHBondContact OD1-N 2.76Å; D875-K879 PolarHBondContact O-NZ 3.46Å | ||
| 876 | P | 83.8 | Confident | 89 | Confident | 85 Ų | 85 | 50.7 Ų | 50.7 | 55% | 0.552 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -71.6 | -28 | -175.9 | 28.1 | -34.7 | 0 | 0 | 0 | 112.3 | ||
| 877 | R | 84.5 | Confident | 89 | Confident | 63 Ų | 63 | 51.1 Ų | 51.1 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -97 | -50.3 | -174.4 | 179.3 | 176.6 | 64.8 | 97.8 | -17 | 112 | D875 T1147 E1148 A1158 | D875-R877 VanDerWaalsContact C-N 3.31Å; D875-R877 PolarHBondContact O-N 3.24Å; D875-R877 PolarHBondContact OD1-N 3.06Å; R877-T1147 PolarHBondContact NH2-O 3.22Å; R877-E1148 WeakPolarHBondContact CD-OE2 3.32Å; R877-E1148 IonicContact CZ-OE2 3.15Å; R877-E1148 IonicContact NE-OE2 3.55Å; R877-E1148 PolarHBondContact NE-OE2 3.49Å; R877-E1148 IonicContact NH2-OE2 3.43Å; R877-A1158 PolarHBondContact NH1-O 2.81Å |
| 878 | I | 83.2 | Confident | 89 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | trans | -98.9 | 115.1 | -167 | -55.4 | 166.1 | 0 | 0 | 0 | 109.9 | I871 D875 H880 I883 L1157 | I871-I878 HydrophobicContact CD1-CB 4.39Å; I871-I878 HydrophobicContact CD1-CD1 3.63Å; I871-I878 HydrophobicContact CD1-CG2 4.17Å; I871-I878 HydrophobicContact CG1-CB 4.3Å; I871-I878 HydrophobicContact CG1-CD1 4.42Å; I871-I878 HydrophobicContact CG1-CG2 3.79Å; I871-I878 HydrophobicContact CG2-CB 3.98Å; I871-I878 HydrophobicContact CG2-CG2 4.2Å; D875-I878 PolarHBondContact OD1-N 2.76Å; I878-H880 HydrophobicContact CG2-CB 4.02Å; I878-I883 HydrophobicContact CD1-CD1 3.69Å; I878-I883 HydrophobicContact CD1-CG1 4.08Å; I878-L1157 HydrophobicContact CB-CD1 4.44Å; I878-L1157 HydrophobicContact CG1-CD1 4.08Å; I878-L1157 HydrophobicContact CG2-CD1 3.67Å | ||
| 879 | K | 81.9 | Confident | 88.9 | Confident | 169 Ų | 169 | 51 Ų | 51 | 74% | 0.735 | 26% | 0.256 | S | S | * | . | trans | -91.9 | -12.3 | 173.5 | -54.6 | -53.4 | 175.5 | -163.9 | 0 | 113.4 | D875 | D875-K879 PolarHBondContact O-NZ 3.46Š| ||
| 880 | H | 80.4 | Confident | 88.6 | Confident | 121 Ų | 121 | 51 Ų | 51 | 56% | 0.56 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -71.7 | 153.2 | 170.5 | -70.4 | -77.7 | 0 | 0 | 0 | 111.4 | I871 I878 C882 | I871-H880 WeakPolarHBondContact CG1-O 3.27Å; I878-H880 HydrophobicContact CG2-CB 4.02Å; H880-C882 PolarHBondContact O-N 3.26Å |
| 881 | R | 86.8 | Confident | 88.1 | Confident | 212 Ų | 212 | 48.3 Ų | 48.3 | 80% | 0.8 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -70.8 | -26.7 | -177.3 | -71.9 | -173.2 | -83.8 | -174.5 | -5 | 114 | I871 | I871-R881 PolarHBondContact N-O 2.91Š|
| 882 | C | 90.6 | Very high | 87.4 | Confident | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 162.7 | -178.7 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | C860 P868 I869 L870 H880 | C860-C882 WeakPolarHBondContact CA-SG 3.38Å; C860-C882 HydrophobicContact CB-CB 3.75Å; C860-C882 WeakPolarHBondContact CB-SG 3.24Å; C860-C882 WeakPolarHBondContact SG-CB 3.49Å; C860-C882 CovalentContact SG-SG 2.04Å; C860-C882 PolarHBondContact SG-SG 2.98Å; P868-C882 HydrophobicContact CB-CB 3.97Å; I869-C882 CarbonylContact O-C 3.55Å; I869-C882 WeakPolarHBondContact O-CA 3.44Å; I869-C882 VanDerWaalsContact O-CB 3.31Å; I869-C882 WeakPolarHBondContact O-CB 3.32Å; L870-C882 HydrophobicContact CD2-CB 4.4Å; H880-C882 PolarHBondContact O-N 3.26Å |
| 883 | I | 89.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.9 | 159.7 | -67.6 | 153.5 | 0 | 0 | 0 | 107.7 | P868 I869 I871 I878 L1159 D1160 | P868-I883 WeakPolarHBondContact CA-O 3.36Å; I869-I883 HydrophobicContact CB-CB 4.24Å; I869-I883 PolarHBondContact N-O 2.78Å; I869-I883 PolarHBondContact O-N 2.84Å; I871-I883 HydrophobicContact CD1-CD1 3.83Å; I871-I883 HydrophobicContact CD1-CG1 3.96Å; I878-I883 HydrophobicContact CD1-CD1 3.69Å; I878-I883 HydrophobicContact CD1-CG1 4.08Å; I883-L1159 HydrophobicContact CG2-CD2 3.49Å; I883-L1159 VanDerWaalsContact CG2-CD2 3.49Å; I883-D1160 HydrophobicContact CD1-CB 4.4Å |
| 884 | G | 87.8 | Confident | 85.7 | Confident | 12 Ų | 12 | 42 Ų | 42 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | trans | -62 | 136.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C856 | C856-G884 WeakPolarHBondContact O-CA 3.46Š| ||
| 885 | F | 91 | Very high | 85 | Confident | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.022 | 18% | 0.179 | C | C | . | . | trans | -145.9 | 126.8 | 178.1 | 177 | -76 | 0 | 0 | 0 | 109.1 | F867 I869 L1164 Q1167 R1168 D1171 | F867-F885 HydrophobicContact CB-CD1 3.99Å; F867-F885 HydrophobicContact CB-CE1 4.37Å; F867-F885 HydrophobicContact CD1-CD1 4.46Å; F867-F885 HydrophobicContact CD1-CE1 4.26Å; F867-F885 PolarHBondContact N-O 3.49Å; F867-F885 WeakPolarHBondContact O-CB 3.36Å; F867-F885 WeakPolarHBondContact O-CD1 3.44Å; I869-F885 HydrophobicContact CD1-CD2 4.35Å; I869-F885 HydrophobicContact CG1-CB 4.44Å; F885-L1164 HydrophobicContact CD2-CD2 3.81Å; F885-L1164 HydrophobicContact CE2-CD2 4.4Å; F885-Q1167 HydrophobicContact CD1-CG 4.17Å; F885-Q1167 HydrophobicContact CD2-CB 4.05Å; F885-Q1167 HydrophobicContact CD2-CG 3.77Å; F885-Q1167 HydrophobicContact CE1-CG 4.15Å; F885-Q1167 HydrophobicContact CE2-CB 3.75Å; F885-Q1167 HydrophobicContact CE2-CG 3.72Å; F885-Q1167 HydrophobicContact CG-CG 3.99Å; F885-Q1167 HydrophobicContact CZ-CB 4.24Å; F885-Q1167 HydrophobicContact CZ-CG 3.92Å; F885-R1168 HydrophobicContact CE2-CB 4.4Å; F885-R1168 HydrophobicContact CZ-CB 4.35Å; F885-R1168 VanDerWaalsContact CZ-NH2 3.29Å; F885-D1171 HydrophobicContact CE1-CB 4.05Å; F885-D1171 HydrophobicContact CZ-CB 4.02Å | ||
| 886 | S | 91.7 | Very high | 83.8 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -103.6 | 137.6 | 171.9 | -56 | 0 | 0 | 0 | 0 | 109.8 | V843 C856 P865 R1168 | V843-S886 VanDerWaalsContact CG2-CB 3.5Å; C856-S886 PolarHBondContact SG-OG 3.23Å; P865-S886 CarbonylContact O-C 3Å; P865-S886 WeakPolarHBondContact O-CA 3.48Å; S886-R1168 PolarHBondContact O-NH1 2.98Å; S886-R1168 PolarHBondContact O-NH2 3.08Å |
| 887 | R | 93 | Very high | 82.8 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 3% | 0.034 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -60.7 | 160 | 177.4 | -65.8 | -169.4 | 71.6 | -176.8 | 6.8 | 111.3 | N725 D844 P865 F867 D1171 | N725-R887 PolarHBondContact O-NH1 3.44Å; N725-R887 PolarHBondContact O-NH2 3.07Å; D844-R887 PolarHBondContact N-O 2.89Å; P865-R887 WeakPolarHBondContact O-CG 3.23Å; P865-R887 PolarHBondContact O-N 3.3Å; F867-R887 HydrophobicContact CB-CG 4.04Å; R887-D1171 WeakPolarHBondContact CA-OD2 3.29Å; R887-D1171 WeakPolarHBondContact CB-OD1 3.3Å; R887-D1171 WeakPolarHBondContact CG-OD1 3.4Å; R887-D1171 IonicContact CZ-OD1 3.56Å; R887-D1171 IonicContact NE-OD1 2.8Å; R887-D1171 PolarHBondContact NE-OD1 3.1Å; R887-D1171 PolarHBondContact NH2-O 3Å; R887-D1171 IonicContact NH2-OD1 3.72Å; R887-D1171 PolarHBondContact NH2-OD1 2.88Å |
| 888 | S | 94.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -79.7 | 147.4 | 172.9 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | R592 P842 A890 R907 R1168 D1171 H1172 | R592-S888 PolarHBondContact NH2-OG 2.74Å; P842-S888 WeakPolarHBondContact O-CA 3.06Å; S888-A890 PolarHBondContact O-N 3.31Å; S888-R907 PolarHBondContact O-NH2 2.93Å; S888-R1168 VanDerWaalsContact OG-CD 3.31Å; S888-R1168 WeakPolarHBondContact OG-CD 3.41Å; S888-R1168 PolarHBondContact OG-NH1 3.23Å; S888-R1168 VanDerWaalsContact OG-NH1 3.13Å; S888-D1171 PolarHBondContact N-OD2 3.28Å; S888-D1171 PolarHBondContact OG-OD2 2.99Å; S888-H1172 WeakPolarHBondContact CB-NE2 3.46Å; S888-H1172 PolarHBondContact OG-NE2 2.86Å |
| 889 | S | 91.2 | Very high | 80.5 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -58 | 137.2 | 177.6 | -46.3 | 0 | 0 | 0 | 0 | 111.7 | P842 V843 Q909 L910 | P842-S889 PolarHBondContact O-N 3.31Å; V843-S889 VanDerWaalsContact C-OG 3.3Å; V843-S889 PolarHBondContact O-OG 3.35Å; S889-Q909 WeakPolarHBondContact O-CA 3.11Å; S889-L910 PolarHBondContact O-N 2.85Å |
| 890 | A | 86.3 | Confident | 79 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -91.8 | 163.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A605 S888 R907 E908 | A605-A890 WeakPolarHBondContact CB-O 3.36Å; S888-A890 PolarHBondContact O-N 3.31Å; A890-R907 HydrophobicContact CB-CG 3.82Å; A890-E908 CarbonylContact C-O 3.52Å; A890-E908 VanDerWaalsContact CA-O 3.24Å; A890-E908 WeakPolarHBondContact CA-O 3.42Å |
| 891 | T | 83.9 | Confident | 77.7 | Confident | 21 Ų | 21 | 25 Ų | 25 | 13% | 0.129 | 13% | 0.128 | C | C | . | . | P | Polyproline II helix | trans | -93.7 | 146.9 | 169.4 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | P711 S894 E908 L910 | P711-T891 HydrophobicContact CB-CG2 3.88Å; P711-T891 HydrophobicContact CG-CG2 4.49Å; T891-S894 WeakPolarHBondContact O-CB 3.46Å; T891-S894 PolarHBondContact O-N 3.47Å; T891-S894 PolarHBondContact O-OG 2.92Å; T891-E908 PolarHBondContact N-O 3.36Å; T891-L910 HydrophobicContact CG2-CB 4.06Å; T891-L910 HydrophobicContact CG2-CD1 3.67Å |
| 892 | C | 78.3 | Confident | 75.8 | Confident | 36 Ų | 36 | 17.5 Ų | 17.5 | 24% | 0.243 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 139.9 | 171.3 | -76.2 | 0 | 0 | 0 | 0 | 112.8 | C671 S894 | C671-C892 WeakPolarHBondContact CA-SG 3.32Å; C671-C892 HydrophobicContact CB-CB 3.57Å; C671-C892 WeakPolarHBondContact CB-SG 3.38Å; C671-C892 WeakPolarHBondContact SG-CB 3.38Å; C671-C892 CovalentContact SG-SG 2.04Å; C671-C892 PolarHBondContact SG-SG 2.75Å; C892-S894 VanDerWaalsContact C-N 3.34Å |
| 893 | G | 69.3 | Low | 74.1 | Confident | 9 Ų | 9 | 24.1 Ų | 24.1 | 9% | 0.093 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 17.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L901 | G893-L901 VanDerWaalsContact CA-CD1 3.49Š|
| 894 | S | 74.7 | Confident | 72.7 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | trans | -117.7 | 162.9 | 174.8 | 82 | 0 | 0 | 0 | 0 | 109.6 | E609 T891 C892 T897 Y906 E908 | E609-S894 VanDerWaalsContact OE1-O 3.12Å; T891-S894 WeakPolarHBondContact O-CB 3.46Å; T891-S894 PolarHBondContact O-N 3.47Å; T891-S894 PolarHBondContact O-OG 2.92Å; C892-S894 VanDerWaalsContact C-N 3.34Å; S894-T897 PolarHBondContact N-OG1 3.44Å; S894-T897 PolarHBondContact O-OG1 3.33Å; S894-Y906 VanDerWaalsContact CB-O 3.24Å; S894-Y906 WeakPolarHBondContact CB-O 3.37Å; S894-E908 PolarHBondContact OG-N 3.16Å | ||
| 895 | G | 73.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | 75.1 | -148.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | M724 T897 S898 R905 Y906 R907 | M724-G895 WeakPolarHBondContact CE-O 3.41Å; G895-T897 PolarHBondContact O-N 2.68Å; G895-S898 WeakPolarHBondContact O-CB 3.47Å; G895-S898 PolarHBondContact O-N 2.75Å; G895-S898 VanDerWaalsContact O-N 3.14Å; G895-S898 PolarHBondContact O-OG 3.33Å; G895-R905 PolarHBondContact N-O 2.79Å; G895-R905 VanDerWaalsContact O-O 3.13Å; G895-Y906 PolarHBondContact N-O 3.2Å; G895-Y906 VanDerWaalsContact N-O 3.09Å; G895-R907 VanDerWaalsContact N-CA 3.34Å; G895-R907 VanDerWaalsContact N-N 3.2Å |
| 896 | S | 64.6 | Low | 71.6 | Confident | 19 Ų | 19 | 38.8 Ų | 38.8 | 13% | 0.133 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -53 | -25.5 | 178.7 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | N725 S898 | N725-S896 PolarHBondContact ND2-OG 3.24Å; N725-S896 VanDerWaalsContact ND2-OG 3.13Å; S896-S898 VanDerWaalsContact C-N 3.33Å; S896-S898 PolarHBondContact O-N 3.28Å |
| 897 | T | 63 | Low | 71.4 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -77.5 | -17.8 | -173.4 | 76.2 | 0 | 0 | 0 | 0 | 115.7 | Y608 E609 I612 S894 G895 | Y608-T897 HydrophobicContact CD1-CG2 3.52Å; Y608-T897 HydrophobicContact CE1-CG2 4.05Å; Y608-T897 HydrophobicContact CG-CG2 4.39Å; E609-T897 HydrophobicContact CB-CG2 3.86Å; E609-T897 HydrophobicContact CG-CG2 3.53Å; I612-T897 HydrophobicContact CD1-CG2 3.66Å; S894-T897 PolarHBondContact N-OG1 3.44Å; S894-T897 PolarHBondContact O-OG1 3.33Å; G895-T897 PolarHBondContact O-N 2.68Å |
| 898 | S | 63 | Low | 71.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -75.5 | -25.2 | -175.9 | 63.8 | 0 | 0 | 0 | 0 | 114.7 | M724 G895 S896 L900 L901 K903 P904 R905 | M724-S898 VanDerWaalsContact CE-OG 3.3Å; M724-S898 WeakPolarHBondContact CE-OG 3.48Å; G895-S898 WeakPolarHBondContact O-CB 3.47Å; G895-S898 PolarHBondContact O-N 2.75Å; G895-S898 VanDerWaalsContact O-N 3.14Å; G895-S898 PolarHBondContact O-OG 3.33Å; S896-S898 VanDerWaalsContact C-N 3.33Å; S896-S898 PolarHBondContact O-N 3.28Å; S898-L900 PolarHBondContact O-N 2.89Å; S898-L901 PolarHBondContact O-N 3.21Å; S898-K903 CarbonylContact O-C 3.49Å; S898-P904 WeakPolarHBondContact OG-CA 3.28Å; S898-R905 VanDerWaalsContact CB-CB 3.48Å; S898-R905 WeakPolarHBondContact CB-O 3.46Å; S898-R905 PolarHBondContact OG-N 3.46Å; S898-R905 PolarHBondContact OG-O 3.21Å |
| 899 | I | 55.1 | Low | 71.3 | Confident | 44 Ų | 44 | 39.7 Ų | 39.7 | 23% | 0.226 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -54.5 | -29.4 | 179.9 | -66.4 | 165.1 | 0 | 0 | 0 | 109.8 | L653 M724 P904 | L653-I899 HydrophobicContact CD1-CD1 3.97Å; M724-I899 HydrophobicContact CE-CD1 3.99Å; M724-I899 HydrophobicContact CE-CG1 3.78Å; I899-P904 HydrophobicContact CG1-CB 4.08Å |
| 900 | L | 50.3 | Low | 71.3 | Confident | 37 Ų | 37 | 40 Ų | 40 | 19% | 0.194 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -87 | -14.8 | -176.7 | -57.8 | 170.1 | 0 | 0 | 0 | 113.5 | I612 L657 L662 S898 G902 | I612-L900 HydrophobicContact CB-CD1 4.23Å; I612-L900 HydrophobicContact CD1-CD1 3.5Å; I612-L900 HydrophobicContact CG1-CD1 3.56Å; I612-L900 HydrophobicContact CG2-CD1 3.65Å; L657-L900 HydrophobicContact CB-CD2 4.33Å; L657-L900 HydrophobicContact CD1-CD1 3.91Å; L657-L900 HydrophobicContact CD1-CD2 4.21Å; L662-L900 HydrophobicContact CD1-CB 3.78Å; L662-L900 HydrophobicContact CD1-CD2 4.37Å; L662-L900 WeakPolarHBondContact CD1-O 3.15Å; L662-L900 HydrophobicContact CD2-CB 3.52Å; L662-L900 HydrophobicContact CD2-CD1 3.51Å; L662-L900 HydrophobicContact CD2-CD2 3.92Å; L662-L900 HydrophobicContact CD2-CG 3.8Å; L662-L900 HydrophobicContact CG-CB 4.27Å; S898-L900 PolarHBondContact O-N 2.89Å; L900-G902 PolarHBondContact O-N 2.84Å |
| 901 | L | 53.4 | Low | 71.7 | Confident | 94 Ų | 94 | 40 Ų | 40 | 49% | 0.492 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -87 | 18.9 | 174.6 | -63.6 | 175.4 | 0 | 0 | 0 | 112.7 | G893 S898 K903 | G893-L901 VanDerWaalsContact CA-CD1 3.49Å; S898-L901 PolarHBondContact O-N 3.21Å; L901-K903 PolarHBondContact O-N 3.38Å |
| 902 | G | 47.8 | Very low | 72.1 | Confident | 53 Ų | 53 | 39.3 Ų | 39.3 | 55% | 0.546 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | -7.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | L900 | L900-G902 PolarHBondContact O-N 2.84Š|
| 903 | K | 55.6 | Low | 73 | Confident | 150 Ų | 150 | 38 Ų | 38 | 65% | 0.652 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -143.8 | 118.2 | 171.7 | -67 | -173.3 | -179.9 | -176.9 | 0 | 109.4 | S898 L901 R905 | S898-K903 CarbonylContact O-C 3.49Å; L901-K903 PolarHBondContact O-N 3.38Å; K903-R905 WeakPolarHBondContact O-CG 3.48Å; K903-R905 PolarHBondContact O-N 3.07Å |
| 904 | P | 60.3 | Low | 74.3 | Confident | 91 Ų | 91 | 37.5 Ų | 37.5 | 59% | 0.591 | 19% | 0.193 | S | C | * | . | trans | -57.5 | 128.1 | 172.8 | 22.6 | -30.3 | 0 | 0 | 0 | 110.1 | M724 S898 I899 | M724-P904 HydrophobicContact CE-CB 4.02Å; M724-P904 HydrophobicContact SD-CB 4.33Å; S898-P904 WeakPolarHBondContact OG-CA 3.28Å; I899-P904 HydrophobicContact CG1-CB 4.08Å | ||
| 905 | R | 70.9 | Confident | 75.4 | Confident | 146 Ų | 146 | 37.5 Ų | 37.5 | 55% | 0.551 | 19% | 0.193 | S | C | * | . | trans | -126.2 | 129.9 | 176.9 | -56.6 | -179 | 179.4 | -175.1 | -0.6 | 108.1 | G895 S898 K903 | G895-R905 PolarHBondContact N-O 2.79Å; G895-R905 VanDerWaalsContact O-O 3.13Å; S898-R905 VanDerWaalsContact CB-CB 3.48Å; S898-R905 WeakPolarHBondContact CB-O 3.46Å; S898-R905 PolarHBondContact OG-N 3.46Å; S898-R905 PolarHBondContact OG-O 3.21Å; K903-R905 WeakPolarHBondContact O-CG 3.48Å; K903-R905 PolarHBondContact O-N 3.07Å | ||
| 906 | Y | 83.6 | Confident | 76.7 | Confident | 89 Ų | 89 | 37.5 Ų | 37.5 | 35% | 0.349 | 19% | 0.193 | S | C | . | . | trans | -61.1 | 162.8 | 177.8 | -53 | -80.6 | 0 | 0 | 0 | 113 | P717 P718 Y720 G723 S894 G895 E908 | P717-Y906 HydrophobicContact CB-CE2 4.47Å; P718-Y906 VanDerWaalsContact CD-CD2 3.47Å; P718-Y906 HydrophobicContact CG-CD1 3.89Å; P718-Y906 HydrophobicContact CG-CD2 3.51Å; P718-Y906 HydrophobicContact CG-CE2 4.31Å; P718-Y906 HydrophobicContact CG-CG 3.26Å; Y720-Y906 HydrophobicContact CD2-CD1 4.44Å; G723-Y906 WeakPolarHBondContact O-CD1 3.48Å; G723-Y906 WeakPolarHBondContact O-CE1 3.41Å; S894-Y906 VanDerWaalsContact CB-O 3.24Å; S894-Y906 WeakPolarHBondContact CB-O 3.37Å; G895-Y906 PolarHBondContact N-O 3.2Å; G895-Y906 VanDerWaalsContact N-O 3.09Å; Y906-E908 PolarHBondContact O-N 3.41Å | ||
| 907 | R | 88.9 | Confident | 78.3 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | trans | -63.2 | 124.5 | 174.3 | 179 | 170.8 | 173.1 | 108.7 | 0.1 | 110 | E606 E609 R714 Y720 M724 N725 D844 S888 A890 G895 | E606-R907 IonicContact OE1-CZ 3.51Å; E606-R907 IonicContact OE1-NH1 3.28Å; E606-R907 PolarHBondContact OE1-NH1 3.24Å; E606-R907 IonicContact OE1-NH2 3.27Å; E606-R907 PolarHBondContact OE1-NH2 3.38Å; E609-R907 IonicContact OE2-NH1 3.35Å; E609-R907 PolarHBondContact OE2-NH1 3.48Å; R714-R907 PolarHBondContact NH2-O 3.36Å; R714-R907 VanDerWaalsContact NH2-O 3.1Å; Y720-R907 HydrophobicContact CE2-CB 4.07Å; Y720-R907 PolarHBondContact OH-O 3.05Å; M724-R907 PolarHBondContact O-N 2.96Å; N725-R907 HydrophobicContact CB-CB 3.69Å; N725-R907 HydrophobicContact CB-CG 4.45Å; D844-R907 IonicContact OD2-NH2 2.89Å; D844-R907 PolarHBondContact OD2-NH2 3.2Å; S888-R907 PolarHBondContact O-NH2 2.93Å; A890-R907 HydrophobicContact CB-CG 3.82Å; G895-R907 VanDerWaalsContact N-CA 3.34Å; G895-R907 VanDerWaalsContact N-N 3.2Å | ||
| 908 | E | 91.4 | Very high | 80 | Confident | 34 Ų | 34 | 36.9 Ų | 36.9 | 16% | 0.159 | 19% | 0.188 | C | C | . | . | trans | -114.5 | 133.4 | -179.1 | -65.6 | -57.7 | 161.3 | 0 | 0 | 111.4 | P711 R714 A890 T891 S894 Y906 | P711-E908 HydrophobicContact CB-CB 3.95Å; R714-E908 IonicContact CZ-OE1 3.33Å; R714-E908 IonicContact CZ-OE2 2.71Å; R714-E908 IonicContact NE-OE1 3.4Å; R714-E908 PolarHBondContact NE-OE1 3.47Å; R714-E908 IonicContact NE-OE2 2.75Å; R714-E908 PolarHBondContact NE-OE2 3.3Å; R714-E908 IonicContact NH2-OE1 3.36Å; R714-E908 IonicContact NH2-OE2 3.17Å; R714-E908 PolarHBondContact NH2-OE2 2.92Å; A890-E908 CarbonylContact C-O 3.52Å; A890-E908 VanDerWaalsContact CA-O 3.24Å; A890-E908 WeakPolarHBondContact CA-O 3.42Å; T891-E908 PolarHBondContact N-O 3.36Å; S894-E908 PolarHBondContact OG-N 3.16Å; Y906-E908 PolarHBondContact O-N 3.41Å | ||
| 909 | Q | 93 | Very high | 81.6 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -89.2 | 147.5 | 178.7 | -66.7 | 75.2 | 28.7 | 0 | 0 | 111.3 | P711 F712 Y720 T841 S889 N1070 | P711-Q909 WeakPolarHBondContact CA-O 3.37Å; F712-Q909 HydrophobicContact CD2-CB 4.09Å; F712-Q909 VanDerWaalsContact CD2-O 3.29Å; F712-Q909 WeakPolarHBondContact CD2-O 3.27Å; F712-Q909 HydrophobicContact CE2-CB 4.25Å; F712-Q909 PolarHBondContact N-O 3.24Å; F712-Q909 VanDerWaalsContact N-O 3.16Å; Y720-Q909 PolarHBondContact OH-NE2 3.32Å; Y720-Q909 VanDerWaalsContact OH-NE2 3.08Å; T841-Q909 HydrophobicContact CG2-CB 4.25Å; S889-Q909 WeakPolarHBondContact O-CA 3.11Å; Q909-N1070 PolarHBondContact OE1-ND2 3.34Å |
| 910 | L | 90.5 | Very high | 83.7 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 139.4 | 179.9 | -166.8 | 81.5 | 0 | 0 | 0 | 111.5 | A598 L601 L709 F712 P842 S889 T891 | A598-L910 HydrophobicContact CB-CD2 4.02Å; L601-L910 HydrophobicContact CD1-CD1 4.49Å; L709-L910 HydrophobicContact CB-CD1 4.37Å; L709-L910 HydrophobicContact CD2-CD2 3.79Å; L709-L910 WeakPolarHBondContact O-CD1 3.49Å; F712-L910 WeakPolarHBondContact CE2-O 3.45Å; P842-L910 HydrophobicContact CG-CD2 4.44Å; S889-L910 PolarHBondContact O-N 2.85Å; T891-L910 HydrophobicContact CG2-CB 4.06Å; T891-L910 HydrophobicContact CG2-CD1 3.67Å |
| 911 | N | 94.5 | Very high | 85.9 | Confident | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 117.4 | 154.8 | -168.5 | 8.4 | 0 | 0 | 0 | 108.9 | L709 V710 F712 L838 D839 F840 I913 | L709-N911 VanDerWaalsContact CA-O 3.23Å; L709-N911 WeakPolarHBondContact CA-O 3.23Å; L709-N911 PolarHBondContact N-O 2.85Å; V710-N911 PolarHBondContact N-O 3.4Å; V710-N911 PolarHBondContact O-N 2.99Å; F712-N911 HydrophobicContact CD1-CB 4.15Å; F712-N911 HydrophobicContact CE1-CB 3.61Å; F712-N911 HydrophobicContact CE2-CB 4.34Å; F712-N911 HydrophobicContact CZ-CB 3.71Å; L838-N911 PolarHBondContact O-ND2 3.41Å; D839-N911 WeakPolarHBondContact CA-OD1 3.1Å; F840-N911 PolarHBondContact N-OD1 3.5Å; F840-N911 PolarHBondContact O-OD1 3.41Å; N911-I913 VanDerWaalsContact C-N 3.33Å; N911-I913 PolarHBondContact ND2-O 3.49Å; N911-I913 WeakPolarHBondContact OD1-CG1 3.39Å; N911-I913 PolarHBondContact OD1-N 2.84Å |
| 912 | Q | 93.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 29 Ų | 29 | 2% | 0.023 | 15% | 0.147 | C | C | . | . | trans | -77.5 | -20.1 | -178.7 | 168.5 | 179.2 | -45.1 | 0 | 0 | 113 | P594 N595 A598 A708 L709 F840 P842 | P594-Q912 VanDerWaalsContact CA-OE1 3.25Å; N595-Q912 PolarHBondContact ND2-NE2 3.39Å; A598-Q912 HydrophobicContact CB-CB 4.26Å; A598-Q912 HydrophobicContact CB-CG 3.93Å; A708-Q912 WeakPolarHBondContact CB-O 3.31Å; L709-Q912 HydrophobicContact CD2-CB 4.26Å; L709-Q912 HydrophobicContact CD2-CG 4.04Å; F840-Q912 HydrophobicContact CD1-CB 3.96Å; F840-Q912 HydrophobicContact CD1-CG 4.21Å; F840-Q912 PolarHBondContact O-N 3.11Å; P842-Q912 HydrophobicContact CG-CB 4.44Å | ||
| 913 | I | 95.9 | Very high | 90.4 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -109.6 | 170.3 | -178.4 | 64 | 172.7 | 0 | 0 | 0 | 112 | A708 H836 D839 F840 N911 S925 | A708-I913 WeakPolarHBondContact CA-O 3.44Å; H836-I913 WeakPolarHBondContact O-CD1 3.35Å; D839-I913 VanDerWaalsContact C-CD1 3.47Å; F840-I913 HydrophobicContact CB-CD1 3.97Å; F840-I913 HydrophobicContact CB-CG1 3.87Å; F840-I913 HydrophobicContact CB-CG2 3.98Å; N911-I913 VanDerWaalsContact C-N 3.33Å; N911-I913 PolarHBondContact ND2-O 3.49Å; N911-I913 WeakPolarHBondContact OD1-CG1 3.39Å; N911-I913 PolarHBondContact OD1-N 2.84Å; I913-S925 WeakPolarHBondContact CA-OG 3.42Å; I913-S925 VanDerWaalsContact CB-OG 3.26Å; I913-S925 WeakPolarHBondContact CB-OG 3.49Å; I913-S925 WeakPolarHBondContact CG2-OG 3.27Å |
| 914 | T | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -65.5 | 153.6 | 178.1 | 53.3 | 0 | 0 | 0 | 0 | 111 | A708 L838 D918 S920 | A708-T914 HydrophobicContact CB-CG2 4.25Å; L838-T914 VanDerWaalsContact O-O 3.07Å; T914-D918 PolarHBondContact OG1-OD1 2.92Å; T914-D918 VanDerWaalsContact OG1-OD1 3.1Å; T914-S920 VanDerWaalsContact OG1-CB 3.25Å; T914-S920 WeakPolarHBondContact OG1-CB 3.19Å; T914-S920 PolarHBondContact OG1-OG 3.45Å | ||
| 915 | A | 98.2 | Very high | 94 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 2% | 0.017 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -84 | -17.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G706 L838 I1068 L1254 | G706-A915 PolarHBondContact O-N 2.88Å; L838-A915 WeakPolarHBondContact CD2-O 3.46Å; A915-I1068 HydrophobicContact CB-CD1 4.23Å; A915-I1068 HydrophobicContact CB-CG1 3.82Å; A915-L1254 HydrophobicContact CB-CD2 4.39Å; A915-L1254 WeakPolarHBondContact O-CD2 3.45Å |
| 916 | F | 98.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 9.5 Ų | 9.5 | 0% | 0.004 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -82.4 | 152.6 | -170.1 | -52.4 | -74.4 | 0 | 0 | 0 | 111.4 | N698 G706 D918 P1066 D1258 | N698-F916 HydrophobicContact CB-CE1 4.08Å; N698-F916 HydrophobicContact CB-CE2 3.79Å; N698-F916 HydrophobicContact CB-CZ 3.38Å; N698-F916 VanDerWaalsContact CG-CE1 3.48Å; N698-F916 WeakPolarHBondContact ND2-CE1 3.15Å; N698-F916 VanDerWaalsContact ND2-CZ 3.32Å; N698-F916 WeakPolarHBondContact ND2-CZ 3.09Å; G706-F916 VanDerWaalsContact O-CE2 3.29Å; G706-F916 WeakPolarHBondContact O-CE2 3.41Å; F916-D918 VanDerWaalsContact C-N 3.25Å; F916-D918 HydrophobicContact CB-CB 4.14Å; F916-D918 PolarHBondContact O-N 3.38Å; F916-P1066 HydrophobicContact CE1-CB 3.96Å; F916-P1066 HydrophobicContact CE1-CG 3.6Å; F916-P1066 HydrophobicContact CZ-CG 3.97Å; F916-D1258 HydrophobicContact CD1-CB 3.9Å; F916-D1258 HydrophobicContact CE1-CB 4.2Å |
| 917 | I | 98.6 | Very high | 94.7 | Very high | 4 Ų | 4 | 10.6 Ų | 10.6 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -76.9 | 85.1 | 164.6 | -52.9 | 174.1 | 0 | 0 | 0 | 107.3 | L834 L838 M1033 Q1034 T1037 Y1038 F1251 | L834-I917 HydrophobicContact CD1-CD1 3.96Å; L834-I917 HydrophobicContact CD1-CG1 3.9Å; L834-I917 HydrophobicContact CD1-CG2 4.06Å; L838-I917 HydrophobicContact CD2-CG1 3.81Å; I917-M1033 HydrophobicContact CG2-CB 3.92Å; I917-Q1034 HydrophobicContact CB-CG 3.83Å; I917-Q1034 HydrophobicContact CG2-CG 3.85Å; I917-Q1034 WeakPolarHBondContact O-CG 3.14Å; I917-Q1034 PolarHBondContact O-NE2 3.1Å; I917-T1037 HydrophobicContact CD1-CG2 4.02Å; I917-Y1038 HydrophobicContact CD1-CD2 4.42Å; I917-Y1038 HydrophobicContact CD1-CE2 3.69Å; I917-F1251 HydrophobicContact CD1-CE1 4.15Å |
| 918 | D | 98.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.011 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -131.2 | 14.2 | -174.3 | 67.9 | 7 | 0 | 0 | 0 | 114.3 | R691 D837 T914 F916 S920 | R691-D918 VanDerWaalsContact CD-CB 3.48Å; D837-D918 PolarHBondContact OD2-N 2.85Å; T914-D918 PolarHBondContact OG1-OD1 2.92Å; T914-D918 VanDerWaalsContact OG1-OD1 3.1Å; F916-D918 VanDerWaalsContact C-N 3.25Å; F916-D918 HydrophobicContact CB-CB 4.14Å; F916-D918 PolarHBondContact O-N 3.38Å; D918-S920 VanDerWaalsContact C-N 3.26Å; D918-S920 PolarHBondContact O-N 3.25Å; D918-S920 WeakPolarHBondContact OD1-CB 3.34Å; D918-S920 PolarHBondContact OD1-N 3.35Å |
| 919 | A | 98.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | 61 | 32.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D837 N921 V922 Y923 V1029 M1033 | D837-A919 WeakPolarHBondContact OD1-CA 3.27Å; D837-A919 PolarHBondContact OD1-N 3.17Å; D837-A919 WeakPolarHBondContact OD2-CA 3.49Å; D837-A919 PolarHBondContact OD2-N 3.35Å; A919-N921 WeakPolarHBondContact CA-OD1 3.45Å; A919-N921 PolarHBondContact O-N 2.82Å; A919-V922 HydrophobicContact CB-CB 4.34Å; A919-V922 HydrophobicContact CB-CG2 4.32Å; A919-V922 WeakPolarHBondContact O-CA 3.49Å; A919-V922 WeakPolarHBondContact O-CB 3.37Å; A919-V922 PolarHBondContact O-N 2.67Å; A919-Y923 HydrophobicContact CB-CD2 3.78Å; A919-Y923 HydrophobicContact CB-CE2 3.63Å; A919-Y923 WeakPolarHBondContact O-CD2 3.14Å; A919-Y923 PolarHBondContact O-N 2.69Å; A919-V1029 HydrophobicContact CB-CG1 3.78Å; A919-M1033 HydrophobicContact CB-CE 4.31Å; A919-M1033 HydrophobicContact CB-SD 3.46Å; A919-M1033 WeakPolarHBondContact CB-SD 3.29Å | ||
| 920 | S | 98 | Very high | 94 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -55.6 | -31.8 | 172.1 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | D837 T914 D918 V922 Y923 G924 S925 | D837-S920 PolarHBondContact O-OG 3.43Å; D837-S920 WeakPolarHBondContact OD1-CB 3.28Å; D837-S920 PolarHBondContact OD1-N 2.91Å; D837-S920 PolarHBondContact OD1-OG 2.92Å; T914-S920 VanDerWaalsContact OG1-CB 3.25Å; T914-S920 WeakPolarHBondContact OG1-CB 3.19Å; T914-S920 PolarHBondContact OG1-OG 3.45Å; D918-S920 VanDerWaalsContact C-N 3.26Å; D918-S920 PolarHBondContact O-N 3.25Å; D918-S920 WeakPolarHBondContact OD1-CB 3.34Å; D918-S920 PolarHBondContact OD1-N 3.35Å; S920-V922 PolarHBondContact O-N 2.98Å; S920-V922 VanDerWaalsContact O-N 3.15Å; S920-Y923 PolarHBondContact O-N 2.99Å; S920-G924 CarbonylContact O-C 3.47Å; S920-G924 VanDerWaalsContact O-CA 3.3Å; S920-G924 WeakPolarHBondContact O-CA 3.46Å; S920-G924 PolarHBondContact O-N 3Å; S920-S925 WeakPolarHBondContact CB-OG 3.27Å |
| 921 | N | 97.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.3 | -16 | 171.8 | 67.9 | -11.3 | 0 | 0 | 0 | 114.4 | F833 D837 A919 G981 D982 H995 | F833-N921 WeakPolarHBondContact CD2-ND2 3.48Å; F833-N921 VanDerWaalsContact CE1-ND2 3.34Å; F833-N921 WeakPolarHBondContact CE1-ND2 3.49Å; F833-N921 VanDerWaalsContact CE2-ND2 3.28Å; F833-N921 WeakPolarHBondContact CE2-ND2 3.21Å; F833-N921 WeakPolarHBondContact CZ-ND2 3.3Å; F833-N921 PolarHBondContact O-ND2 3.26Å; D837-N921 HydrophobicContact CB-CB 4.37Å; A919-N921 WeakPolarHBondContact CA-OD1 3.45Å; A919-N921 PolarHBondContact O-N 2.82Å; N921-G981 CarbonylContact O-C 3.55Å; N921-G981 VanDerWaalsContact O-CA 3.31Å; N921-G981 WeakPolarHBondContact O-CA 3.44Å; N921-G981 PolarHBondContact O-N 2.96Å; N921-D982 HydrophobicContact CB-CB 3.98Å; N921-D982 PolarHBondContact O-N 3.4Å; N921-H995 PolarHBondContact O-CE1 2.74Å; N921-H995 PolarHBondContact O-ND1 2.69Å; N921-H995 VanDerWaalsContact O-ND1 3.13Å |
| 922 | V | 98.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 20.1 Ų | 20.1 | 4% | 0.042 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -99.8 | -41.7 | 171.8 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | F833 A919 S920 M943 W998 | F833-V922 HydrophobicContact CZ-CG2 4.06Å; A919-V922 HydrophobicContact CB-CB 4.34Å; A919-V922 HydrophobicContact CB-CG2 4.32Å; A919-V922 WeakPolarHBondContact O-CA 3.49Å; A919-V922 WeakPolarHBondContact O-CB 3.37Å; A919-V922 PolarHBondContact O-N 2.67Å; S920-V922 PolarHBondContact O-N 2.98Å; S920-V922 VanDerWaalsContact O-N 3.15Å; V922-M943 VanDerWaalsContact O-CE 3.26Å; V922-M943 WeakPolarHBondContact O-CE 3.44Å; V922-W998 HydrophobicContact CG2-CB 3.7Å; V922-W998 HydrophobicContact CG2-CG 4.49Å |
| 923 | Y | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -99.4 | -10 | -168.8 | -60.9 | -64.9 | 0 | 0 | 0 | 115.5 | A919 S920 N930 M943 H1002 F1022 R1026 V1029 | A919-Y923 HydrophobicContact CB-CD2 3.78Å; A919-Y923 HydrophobicContact CB-CE2 3.63Å; A919-Y923 WeakPolarHBondContact O-CD2 3.14Å; A919-Y923 PolarHBondContact O-N 2.69Å; S920-Y923 PolarHBondContact O-N 2.99Å; Y923-N930 WeakPolarHBondContact O-CA 3.48Å; Y923-N930 WeakPolarHBondContact O-CB 3.3Å; Y923-N930 PolarHBondContact O-ND2 3.47Å; Y923-M943 HydrophobicContact CD1-CE 3.85Å; Y923-M943 HydrophobicContact CD1-SD 3.91Å; Y923-M943 HydrophobicContact CE1-CE 4.29Å; Y923-M943 HydrophobicContact CE1-CG 4.32Å; Y923-M943 HydrophobicContact CE1-SD 4.1Å; Y923-H1002 AromaticContact CE1-CE1 3.7Å; Y923-H1002 AromaticContact CE1-ND1 3.28Å; Y923-H1002 VanDerWaalsContact CE1-ND1 3.28Å; Y923-H1002 WeakPolarHBondContact CE1-ND1 3.35Å; Y923-H1002 AromaticContact CZ-ND1 3.48Å; Y923-H1002 PolarHBondContact OH-ND1 2.92Å; Y923-F1022 AromaticContact CD1-CE2 3.83Å; Y923-F1022 HydrophobicContact CD1-CE2 3.83Å; Y923-F1022 AromaticContact CD1-CZ 3.9Å; Y923-F1022 HydrophobicContact CD1-CZ 3.9Å; Y923-F1022 HydrophobicContact CE1-CE2 4.02Å; Y923-F1022 HydrophobicContact CE1-CZ 4.4Å; Y923-R1026 HydrophobicContact CD1-CG 4.47Å; Y923-R1026 HydrophobicContact CD2-CB 4.36Å; Y923-R1026 HydrophobicContact CD2-CG 3.65Å; Y923-R1026 HydrophobicContact CE1-CB 4.09Å; Y923-R1026 HydrophobicContact CE1-CG 4.39Å; Y923-R1026 HydrophobicContact CE2-CB 3.89Å; Y923-R1026 HydrophobicContact CE2-CG 3.56Å; Y923-R1026 HydrophobicContact CG-CG 4.15Å; Y923-R1026 WeakPolarHBondContact OH-CA 3.43Å; Y923-V1029 HydrophobicContact CE2-CB 4.4Å; Y923-V1029 HydrophobicContact CE2-CG1 4.05Å; Y923-V1029 WeakPolarHBondContact OH-CB 3.02Å; Y923-V1029 WeakPolarHBondContact OH-CG2 3.45Å |
| 924 | G | 94.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | 84.3 | 162.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I693 S920 | I693-G924 WeakPolarHBondContact CG2-O 3.37Å; S920-G924 CarbonylContact O-C 3.47Å; S920-G924 VanDerWaalsContact O-CA 3.3Å; S920-G924 WeakPolarHBondContact O-CA 3.46Å; S920-G924 PolarHBondContact O-N 3Å | ||
| 925 | S | 95.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.021 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -110.7 | 6 | 176.1 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | D694 I913 S920 | D694-S925 WeakPolarHBondContact CA-O 3.26Å; I913-S925 WeakPolarHBondContact CA-OG 3.42Å; I913-S925 VanDerWaalsContact CB-OG 3.26Å; I913-S925 WeakPolarHBondContact CB-OG 3.49Å; I913-S925 WeakPolarHBondContact CG2-OG 3.27Å; S920-S925 WeakPolarHBondContact CB-OG 3.27Å |
| 926 | D | 85.8 | Confident | 90.9 | Very high | 28 Ų | 28 | 25.7 Ų | 25.7 | 15% | 0.15 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -138.8 | 153.2 | 169.4 | 72.5 | 81.6 | 0 | 0 | 0 | 111.6 | N595 I693 F928 E929 N930 | N595-D926 PolarHBondContact ND2-OD2 3.14Å; I693-D926 WeakPolarHBondContact CG2-O 3.25Å; D926-F928 PolarHBondContact O-N 3.01Å; D926-F928 WeakPolarHBondContact OD1-CA 3.38Å; D926-F928 VanDerWaalsContact OD1-CB 3.3Å; D926-F928 WeakPolarHBondContact OD1-CB 3.42Å; D926-F928 PolarHBondContact OD1-N 2.91Å; D926-E929 PolarHBondContact O-N 3Å; D926-E929 PolarHBondContact OD1-N 3.44Å; D926-E929 WeakPolarHBondContact OD2-CG 3.36Å; D926-N930 WeakPolarHBondContact O-CB 3.21Å; D926-N930 PolarHBondContact O-N 3.33Å |
| 927 | D | 84.6 | Confident | 89.2 | Confident | 112 Ų | 112 | 29.7 Ų | 29.7 | 60% | 0.599 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -63.1 | -29.5 | -174.8 | -74.1 | -32.5 | 0 | 0 | 0 | 113 | I693 S931 | I693-D927 WeakPolarHBondContact CB-OD1 3.49Å; I693-D927 WeakPolarHBondContact CG1-OD1 3.49Å; D927-S931 WeakPolarHBondContact O-CB 3.38Å; D927-S931 PolarHBondContact O-N 3.41Å |
| 928 | F | 83.5 | Confident | 88 | Confident | 113 Ų | 113 | 34.5 Ų | 34.5 | 50% | 0.496 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -70.8 | -48.2 | 179.2 | 175.6 | -97 | 0 | 0 | 0 | 110.6 | D926 S931 Q932 | D926-F928 PolarHBondContact O-N 3.01Å; D926-F928 WeakPolarHBondContact OD1-CA 3.38Å; D926-F928 VanDerWaalsContact OD1-CB 3.3Å; D926-F928 WeakPolarHBondContact OD1-CB 3.42Å; D926-F928 PolarHBondContact OD1-N 2.91Å; F928-S931 PolarHBondContact O-N 2.71Å; F928-S931 PolarHBondContact O-OG 3.27Å; F928-Q932 WeakPolarHBondContact O-CG 3.17Å; F928-Q932 PolarHBondContact O-N 2.82Å |
| 929 | E | 83.8 | Confident | 87.1 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -45.7 | 173.1 | -75.6 | -178.5 | 178 | 0 | 0 | 111.7 | N595 D926 S931 Q932 L933 H983 | N595-E929 VanDerWaalsContact CB-OE1 3.27Å; N595-E929 WeakPolarHBondContact CB-OE1 3.36Å; D926-E929 PolarHBondContact O-N 3Å; D926-E929 PolarHBondContact OD1-N 3.44Å; D926-E929 WeakPolarHBondContact OD2-CG 3.36Å; E929-S931 VanDerWaalsContact C-N 3.33Å; E929-S931 PolarHBondContact O-N 3.05Å; E929-Q932 WeakPolarHBondContact O-CB 3.44Å; E929-Q932 PolarHBondContact O-N 3.27Å; E929-L933 WeakPolarHBondContact O-CG 3.29Å; E929-L933 PolarHBondContact O-N 3.5Å; E929-H983 IonicContact OE1-CE1 3.42Å; E929-H983 PolarHBondContact OE1-CE1 2.92Å; E929-H983 IonicContact OE1-NE2 3.31Å; E929-H983 PolarHBondContact OE1-NE2 3.48Å |
| 930 | N | 91.9 | Very high | 86.5 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 176.6 | -178 | -104.1 | 0 | 0 | 0 | 112.3 | I693 Y923 D926 Q932 L933 R934 | I693-N930 HydrophobicContact CD1-CB 4.12Å; I693-N930 HydrophobicContact CG1-CB 4.16Å; I693-N930 HydrophobicContact CG2-CB 3.96Å; Y923-N930 WeakPolarHBondContact O-CA 3.48Å; Y923-N930 WeakPolarHBondContact O-CB 3.3Å; Y923-N930 PolarHBondContact O-ND2 3.47Å; D926-N930 WeakPolarHBondContact O-CB 3.21Å; D926-N930 PolarHBondContact O-N 3.33Å; N930-Q932 PolarHBondContact O-N 3.06Å; N930-L933 PolarHBondContact O-N 3.25Å; N930-L933 VanDerWaalsContact O-N 3.09Å; N930-R934 WeakPolarHBondContact O-CG 3.26Å; N930-R934 PolarHBondContact O-N 2.91Å; N930-R934 VanDerWaalsContact O-N 3.09Å; N930-R934 WeakPolarHBondContact OD1-CD 3.3Å |
| 931 | S | 84.1 | Confident | 86.1 | Confident | 63 Ų | 63 | 40.8 Ų | 40.8 | 44% | 0.441 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.2 | -27.6 | 178.2 | 78.4 | 0 | 0 | 0 | 0 | 113.4 | D927 F928 E929 | D927-S931 WeakPolarHBondContact O-CB 3.38Å; D927-S931 PolarHBondContact O-N 3.41Å; F928-S931 PolarHBondContact O-N 2.71Å; F928-S931 PolarHBondContact O-OG 3.27Å; E929-S931 VanDerWaalsContact C-N 3.33Å; E929-S931 PolarHBondContact O-N 3.05Å |
| 932 | Q | 83.2 | Confident | 86 | Confident | 40 Ų | 40 | 42.4 Ų | 42.4 | 19% | 0.187 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -81.8 | -19.4 | 178 | -67.3 | -176.3 | -21.1 | 0 | 0 | 113.3 | F928 E929 N930 R944 | F928-Q932 WeakPolarHBondContact O-CG 3.17Å; F928-Q932 PolarHBondContact O-N 2.82Å; E929-Q932 WeakPolarHBondContact O-CB 3.44Å; E929-Q932 PolarHBondContact O-N 3.27Å; N930-Q932 PolarHBondContact O-N 3.06Å; Q932-R944 WeakPolarHBondContact O-CD 3.32Å; Q932-R944 PolarHBondContact O-NH1 2.9Å |
| 933 | L | 92 | Very high | 85.9 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -93.5 | -24.9 | 179.9 | -66.8 | 166.8 | 0 | 0 | 0 | 112.9 | E929 N930 M943 R944 K979 | E929-L933 WeakPolarHBondContact O-CG 3.29Å; E929-L933 PolarHBondContact O-N 3.5Å; N930-L933 PolarHBondContact O-N 3.25Å; N930-L933 VanDerWaalsContact O-N 3.09Å; L933-M943 HydrophobicContact CB-CE 3.66Å; L933-R944 WeakPolarHBondContact O-CB 3.43Å; L933-R944 PolarHBondContact O-N 2.86Å; L933-K979 HydrophobicContact CD2-CD 4.34Å; L933-K979 HydrophobicContact CD2-CG 3.87Å |
| 934 | R | 89.3 | Confident | 85.5 | Confident | 44 Ų | 44 | 47.4 Ų | 47.4 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -82.2 | 141.4 | -178.3 | -71.9 | 178.4 | 63.4 | -166.3 | -3.6 | 113.3 | N930 T936 M943 R944 D1019 F1022 | N930-R934 WeakPolarHBondContact O-CG 3.26Å; N930-R934 PolarHBondContact O-N 2.91Å; N930-R934 VanDerWaalsContact O-N 3.09Å; N930-R934 WeakPolarHBondContact OD1-CD 3.3Å; R934-T936 HydrophobicContact CB-CG2 4.24Å; R934-T936 PolarHBondContact O-N 3.28Å; R934-M943 HydrophobicContact CG-SD 3.92Å; R934-R944 VanDerWaalsContact C-CG 3.45Å; R934-R944 VanDerWaalsContact O-CD 3.32Å; R934-R944 WeakPolarHBondContact O-CD 3.41Å; R934-R944 VanDerWaalsContact O-CG 3.24Å; R934-R944 WeakPolarHBondContact O-CG 3.21Å; R934-D1019 IonicContact CZ-OD1 3.92Å; R934-D1019 IonicContact NH1-OD1 3.86Å; R934-D1019 IonicContact NH2-OD1 3.72Å; R934-D1019 PolarHBondContact NH2-OD1 3.15Å; R934-F1022 HydrophobicContact CG-CD2 4.09Å; R934-F1022 HydrophobicContact CG-CE2 3.66Å; R934-F1022 HydrophobicContact CG-CZ 4.09Å |
| 935 | E | 84.4 | Confident | 85.2 | Confident | 39 Ų | 39 | 51.7 Ų | 51.7 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | trans | -76.1 | 121.4 | 168.1 | -176.4 | 49.3 | -96 | 0 | 0 | 108.1 | L937 F938 K942 R944 | E935-L937 WeakPolarHBondContact OE1-CB 3.27Å; E935-L937 WeakPolarHBondContact OE1-CD1 3.31Å; E935-L937 WeakPolarHBondContact OE1-CG 3.29Å; E935-L937 PolarHBondContact OE1-N 2.76Å; E935-F938 HydrophobicContact CG-CD2 4.38Å; E935-K942 HydrophobicContact CB-CB 4.18Å; E935-K942 PolarHBondContact N-O 3.43Å; E935-R944 HydrophobicContact CB-CG 4.28Å | ||
| 936 | T | 72.2 | Confident | 84.6 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | trans | -124.9 | -7.3 | -170.9 | 48.1 | 0 | 0 | 0 | 0 | 112.4 | Y153 R934 F938 | Y153-T936 VanDerWaalsContact CE1-CB 3.44Å; Y153-T936 HydrophobicContact CE1-CG2 4.25Å; Y153-T936 WeakPolarHBondContact CE1-OG1 3.38Å; Y153-T936 PolarHBondContact OH-OG1 3.44Å; R934-T936 HydrophobicContact CB-CG2 4.24Å; R934-T936 PolarHBondContact O-N 3.28Å; T936-F938 PolarHBondContact O-N 3.31Å | ||
| 937 | L | 62.5 | Low | 84.4 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 44% | 0.44 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -64.2 | -31.6 | 171.2 | -65.4 | 161.3 | 0 | 0 | 0 | 111.3 | I152 E935 | I152-L937 HydrophobicContact CD1-CB 4.46Å; I152-L937 HydrophobicContact CD1-CD2 3.06Å; I152-L937 HydrophobicContact CD1-CG 4.01Å; I152-L937 HydrophobicContact CG1-CD2 4.35Å; I152-L937 HydrophobicContact CG2-CD2 4.34Å; E935-L937 WeakPolarHBondContact OE1-CB 3.27Å; E935-L937 WeakPolarHBondContact OE1-CD1 3.31Å; E935-L937 WeakPolarHBondContact OE1-CG 3.29Å; E935-L937 PolarHBondContact OE1-N 2.76Å |
| 938 | F | 72.3 | Confident | 84.2 | Confident | 105 Ų | 105 | 53 Ų | 53 | 46% | 0.461 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -130.2 | 142.5 | -176.4 | -49.2 | -69.5 | 0 | 0 | 0 | 111.3 | E935 T936 E940 | E935-F938 HydrophobicContact CG-CD2 4.38Å; T936-F938 PolarHBondContact O-N 3.31Å; F938-E940 HydrophobicContact CB-CG 3.81Å; F938-E940 PolarHBondContact O-N 2.95Å |
| 939 | D | 80.6 | Confident | 84.1 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 49.6 | 176.4 | -170.5 | 44.5 | 0 | 0 | 0 | 112 | R1010 G1018 | D939-R1010 PolarHBondContact O-NH1 3.15Å; D939-G1018 WeakPolarHBondContact O-CA 3.35Å; D939-G1018 PolarHBondContact O-N 3Å; D939-G1018 WeakPolarHBondContact OD1-CA 3.39Å; D939-G1018 PolarHBondContact OD1-N 3.28Å; D939-G1018 PolarHBondContact OD2-N 3.45Å; D939-G1018 VanDerWaalsContact OD2-N 3.17Å |
| 940 | E | 85.9 | Confident | 83.7 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 28% | 0.276 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -20.2 | -176.4 | -66.4 | -171.9 | 169.5 | 0 | 0 | 113.1 | F938 K942 I1021 | F938-E940 HydrophobicContact CB-CG 3.81Å; F938-E940 PolarHBondContact O-N 2.95Å; E940-K942 HydrophobicContact CB-CD 4.44Å; E940-K942 HydrophobicContact CB-CG 4.19Å; E940-K942 WeakPolarHBondContact OE2-CD 3.29Å; E940-K942 IonicContact OE2-NZ 3.04Å; E940-K942 PolarHBondContact OE2-NZ 3.37Å; E940-I1021 WeakPolarHBondContact O-CG2 3.48Å |
| 941 | G | 88.7 | Confident | 83.1 | Confident | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | trans | 75.1 | 23.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | H1002 G1018 F1022 | G941-H1002 PolarHBondContact O-NE2 2.72Å; G941-G1018 WeakPolarHBondContact CA-O 3.4Å; G941-F1022 WeakPolarHBondContact O-CA 3.36Å | ||
| 942 | K | 94.8 | Very high | 82.8 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -87.8 | 163.2 | 178.2 | -71.1 | -176 | 177.9 | 173.3 | 0 | 112.8 | E935 E940 N1003 A1006 D1007 | E935-K942 HydrophobicContact CB-CB 4.18Å; E935-K942 PolarHBondContact N-O 3.43Å; E940-K942 HydrophobicContact CB-CD 4.44Å; E940-K942 HydrophobicContact CB-CG 4.19Å; E940-K942 WeakPolarHBondContact OE2-CD 3.29Å; E940-K942 IonicContact OE2-NZ 3.04Å; E940-K942 PolarHBondContact OE2-NZ 3.37Å; K942-N1003 WeakPolarHBondContact CA-OD1 3.35Å; K942-N1003 WeakPolarHBondContact CB-OD1 3.5Å; K942-A1006 HydrophobicContact CG-CB 4.17Å; K942-D1007 WeakPolarHBondContact CE-OD1 3.2Å; K942-D1007 VanDerWaalsContact CE-OD2 3.32Å; K942-D1007 WeakPolarHBondContact CE-OD2 3.15Å; K942-D1007 VanDerWaalsContact NZ-CG 3.31Å; K942-D1007 IonicContact NZ-OD1 2.76Å; K942-D1007 PolarHBondContact NZ-OD1 3.31Å; K942-D1007 IonicContact NZ-OD2 2.7Å; K942-D1007 PolarHBondContact NZ-OD2 3.38Å; K942-D1007 VanDerWaalsContact NZ-OD2 3.11Å |
| 943 | M | 96 | Very high | 83 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -89.9 | 151.5 | 163.1 | -63.3 | -72 | -82 | 0 | 0 | 109.9 | V922 Y923 L933 R934 L999 H1002 N1003 F1022 | V922-M943 VanDerWaalsContact O-CE 3.26Å; V922-M943 WeakPolarHBondContact O-CE 3.44Å; Y923-M943 HydrophobicContact CD1-CE 3.85Å; Y923-M943 HydrophobicContact CD1-SD 3.91Å; Y923-M943 HydrophobicContact CE1-CE 4.29Å; Y923-M943 HydrophobicContact CE1-CG 4.32Å; Y923-M943 HydrophobicContact CE1-SD 4.1Å; L933-M943 HydrophobicContact CB-CE 3.66Å; R934-M943 HydrophobicContact CG-SD 3.92Å; M943-L999 HydrophobicContact CB-CD1 3.3Å; M943-L999 HydrophobicContact CB-CG 4.45Å; M943-L999 HydrophobicContact CG-CD1 4.14Å; M943-H1002 HydrophobicContact CG-CB 4.44Å; M943-H1002 VanDerWaalsContact CG-CD2 3.43Å; M943-H1002 WeakPolarHBondContact CG-CD2 3.1Å; M943-N1003 PolarHBondContact N-OD1 2.91Å; M943-N1003 PolarHBondContact O-ND2 3.17Å; M943-N1003 PolarHBondContact O-OD1 3.03Å; M943-F1022 HydrophobicContact SD-CD2 4.43Å; M943-F1022 HydrophobicContact SD-CE2 3.7Å |
| 944 | R | 90.2 | Very high | 82.8 | Confident | 109 Ų | 109 | 61.6 Ų | 61.6 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 138.8 | 179.3 | -69.3 | 174.4 | 69.9 | -164.3 | 2.5 | 110.7 | Q932 L933 R934 E935 P957 | Q932-R944 WeakPolarHBondContact O-CD 3.32Å; Q932-R944 PolarHBondContact O-NH1 2.9Å; L933-R944 WeakPolarHBondContact O-CB 3.43Å; L933-R944 PolarHBondContact O-N 2.86Å; R934-R944 VanDerWaalsContact C-CG 3.45Å; R934-R944 VanDerWaalsContact O-CD 3.32Å; R934-R944 WeakPolarHBondContact O-CD 3.41Å; R934-R944 VanDerWaalsContact O-CG 3.24Å; R934-R944 WeakPolarHBondContact O-CG 3.21Å; E935-R944 HydrophobicContact CB-CG 4.28Å; R944-P957 HydrophobicContact CB-CG 4.32Å; R944-P957 WeakPolarHBondContact O-CD 3.29Å |
| 945 | E | 88.3 | Confident | 82.9 | Confident | 90 Ų | 90 | 59.7 Ų | 59.7 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | trans | -105.2 | 151.2 | -179.7 | -69.7 | -173.6 | 173.6 | 0 | 0 | 110.9 | S954 N1003 | E945-S954 WeakPolarHBondContact OE2-CB 3.19Å; E945-S954 PolarHBondContact OE2-OG 2.81Å; E945-N1003 VanDerWaalsContact CG-ND2 3.31Å; E945-N1003 WeakPolarHBondContact CG-ND2 3.25Å; E945-N1003 PolarHBondContact OE1-ND2 2.94Å | ||
| 946 | G | 82.4 | Confident | 83.3 | Confident | 20 Ų | 20 | 58 Ų | 58 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | trans | -93.1 | -156.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L955 L956 | G946-L955 WeakPolarHBondContact CA-O 3.44Å; G946-L955 PolarHBondContact N-O 3.02Å; G946-L956 WeakPolarHBondContact CA-O 3.25Å | ||
| 947 | M | 81.4 | Confident | 84.1 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -65 | 143.1 | 174.8 | 61.1 | -174.9 | -73.3 | 0 | 0 | 111.4 | L955 F958 L1116 | M947-L955 HydrophobicContact CG-CD1 4.15Å; M947-L955 WeakPolarHBondContact O-CB 3.37Å; M947-L955 PolarHBondContact O-N 2.88Å; M947-F958 HydrophobicContact CG-CE2 4.38Å; M947-F958 HydrophobicContact SD-CE2 3.83Å; M947-F958 HydrophobicContact SD-CZ 3.8Å; M947-L1116 HydrophobicContact CE-CD2 4.05Å; M947-L1116 HydrophobicContact SD-CD2 3.78Å |
| 948 | P | 80.7 | Confident | 85.2 | Confident | 77 Ų | 77 | 55.3 Ų | 55.3 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -68 | 148.8 | 171.5 | 29 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 949 | T | 81 | Confident | 85.4 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 14% | 0.135 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 173.2 | 166.3 | 62.8 | 0 | 0 | 0 | 0 | 110.6 | A951 G952 K953 L955 D1292 | T949-A951 PolarHBondContact O-N 3Å; T949-A951 VanDerWaalsContact O-N 3.17Å; T949-G952 WeakPolarHBondContact O-CA 3.23Å; T949-G952 PolarHBondContact O-N 3.45Å; T949-K953 WeakPolarHBondContact CG2-O 3.48Å; T949-K953 PolarHBondContact N-O 3.3Å; T949-K953 PolarHBondContact OG1-O 3.44Å; T949-L955 HydrophobicContact CG2-CD1 4.28Å; T949-L955 HydrophobicContact CG2-CD2 3.57Å; T949-L955 HydrophobicContact CG2-CG 3.75Å; T949-D1292 WeakPolarHBondContact CB-OD2 3.28Å; T949-D1292 WeakPolarHBondContact CG2-OD2 3.35Å; T949-D1292 PolarHBondContact OG1-OD1 3.48Å; T949-D1292 VanDerWaalsContact OG1-OD1 3.09Å; T949-D1292 PolarHBondContact OG1-OD2 2.97Å |
| 950 | E | 75.1 | Confident | 84.7 | Confident | 212 Ų | 212 | 55.3 Ų | 55.3 | 99% | 0.991 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.6 | 173.5 | -65.6 | -174.2 | 167.9 | 0 | 0 | 112.6 | G952 | E950-G952 PolarHBondContact O-N 2.87Š|
| 951 | A | 79.7 | Confident | 83.2 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 50% | 0.496 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -0.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | T949 K953 D1292 | T949-A951 PolarHBondContact O-N 3Å; T949-A951 VanDerWaalsContact O-N 3.17Å; A951-K953 VanDerWaalsContact C-N 3.34Å; A951-K953 PolarHBondContact O-N 3.44Å; A951-D1292 HydrophobicContact CB-CB 3.72Å |
| 952 | G | 78.8 | Confident | 81.5 | Confident | 53 Ų | 53 | 63.2 Ų | 63.2 | 55% | 0.546 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 82.4 | 0.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T949 E950 | T949-G952 WeakPolarHBondContact O-CA 3.23Å; T949-G952 PolarHBondContact O-N 3.45Å; E950-G952 PolarHBondContact O-N 2.87Å |
| 953 | K | 87 | Confident | 79.5 | Confident | 70 Ų | 70 | 67 Ų | 67 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | trans | -88.5 | 133.6 | 177 | -63.5 | -168.7 | -178.2 | -174 | 0 | 110.8 | T949 A951 R1000 E1289 S1291 | T949-K953 WeakPolarHBondContact CG2-O 3.48Å; T949-K953 PolarHBondContact N-O 3.3Å; T949-K953 PolarHBondContact OG1-O 3.44Å; A951-K953 VanDerWaalsContact C-N 3.34Å; A951-K953 PolarHBondContact O-N 3.44Å; K953-R1000 VanDerWaalsContact CB-NH2 3.32Å; K953-R1000 PolarHBondContact O-NH2 3.43Å; K953-E1289 PolarHBondContact NZ-O 3Å; K953-S1291 VanDerWaalsContact CD-O 3.32Å; K953-S1291 WeakPolarHBondContact CD-O 3.02Å; K953-S1291 VanDerWaalsContact CE-O 3.27Å; K953-S1291 WeakPolarHBondContact CE-O 3.44Å; K953-S1291 PolarHBondContact NZ-O 3.4Å | ||
| 954 | S | 87.7 | Confident | 77.7 | Confident | 20 Ų | 20 | 68.5 Ų | 68.5 | 14% | 0.14 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -67.6 | 142.2 | -175.5 | -54.6 | 0 | 0 | 0 | 0 | 114 | E945 R1000 | E945-S954 WeakPolarHBondContact OE2-CB 3.19Å; E945-S954 PolarHBondContact OE2-OG 2.81Å; S954-R1000 PolarHBondContact O-NE 3.35Å; S954-R1000 PolarHBondContact O-NH2 3.03Å; S954-R1000 VanDerWaalsContact O-NH2 3.12Å |
| 955 | L | 91 | Very high | 76.4 | Confident | 4 Ų | 4 | 64.3 Ų | 64.3 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | trans | -83.7 | 179 | 165.8 | -64.5 | 176 | 0 | 0 | 0 | 110.5 | G946 M947 T949 F978 T996 L1116 M1121 | G946-L955 WeakPolarHBondContact CA-O 3.44Å; G946-L955 PolarHBondContact N-O 3.02Å; M947-L955 HydrophobicContact CG-CD1 4.15Å; M947-L955 WeakPolarHBondContact O-CB 3.37Å; M947-L955 PolarHBondContact O-N 2.88Å; T949-L955 HydrophobicContact CG2-CD1 4.28Å; T949-L955 HydrophobicContact CG2-CD2 3.57Å; T949-L955 HydrophobicContact CG2-CG 3.75Å; L955-F978 HydrophobicContact CB-CE1 4.03Å; L955-F978 HydrophobicContact CB-CZ 4.4Å; L955-F978 HydrophobicContact CD1-CE1 4.31Å; L955-F978 HydrophobicContact CD1-CZ 3.95Å; L955-T996 HydrophobicContact CD2-CG2 4.1Å; L955-L1116 HydrophobicContact CD1-CD2 3.51Å; L955-M1121 HydrophobicContact CD2-CE 4.16Å | ||
| 956 | L | 93.1 | Very high | 75.7 | Confident | 5 Ų | 5 | 60.3 Ų | 60.3 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 152.8 | 166.2 | -68.4 | 162.3 | 0 | 0 | 0 | 110.7 | G946 F978 A980 L992 H995 L999 | G946-L956 WeakPolarHBondContact CA-O 3.25Å; L956-F978 HydrophobicContact CB-CB 3.87Å; L956-F978 HydrophobicContact CB-CD1 3.79Å; L956-F978 HydrophobicContact CB-CG 4.08Å; L956-F978 HydrophobicContact CD1-CB 4.06Å; L956-F978 WeakPolarHBondContact O-CD1 3.32Å; L956-F978 VanDerWaalsContact O-CE1 3.29Å; L956-F978 WeakPolarHBondContact O-CE1 3.35Å; L956-A980 HydrophobicContact CD1-CB 4.44Å; L956-A980 HydrophobicContact CD2-CB 4.4Å; L956-L992 HydrophobicContact CD1-CD1 3.71Å; L956-H995 HydrophobicContact CD1-CB 3.81Å; L956-L999 HydrophobicContact CD2-CB 3.95Å; L956-L999 HydrophobicContact CD2-CD1 4.39Å; L956-L999 HydrophobicContact CD2-CD2 3.95Å; L956-L999 HydrophobicContact CD2-CG 4.3Å |
| 957 | P | 89.3 | Confident | 75 | Confident | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 148.2 | 172 | 27.7 | -32.7 | 0 | 0 | 0 | 110.7 | R944 F978 K979 | R944-P957 HydrophobicContact CB-CG 4.32Å; R944-P957 WeakPolarHBondContact O-CD 3.29Å; P957-F978 CarbonylContact O-C 3.5Å; P957-K979 HydrophobicContact CG-CB 4.45Å; P957-K979 PolarHBondContact O-N 3.41Å |
| 958 | F | 85.3 | Confident | 74.3 | Confident | 55 Ų | 55 | 58.8 Ų | 58.8 | 24% | 0.241 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -69.1 | 145.4 | 172.5 | -70.1 | -60.6 | 0 | 0 | 0 | 111.5 | M947 I960 V975 P976 F978 L1116 | M947-F958 HydrophobicContact CG-CE2 4.38Å; M947-F958 HydrophobicContact SD-CE2 3.83Å; M947-F958 HydrophobicContact SD-CZ 3.8Å; F958-I960 HydrophobicContact CB-CD1 4.49Å; F958-I960 HydrophobicContact CB-CG1 3.82Å; F958-I960 PolarHBondContact O-N 3Å; F958-V975 HydrophobicContact CE1-CG1 4.03Å; F958-P976 HydrophobicContact CB-CB 4.21Å; F958-P976 HydrophobicContact CD1-CB 3.97Å; F958-P976 HydrophobicContact CD1-CG 4.37Å; F958-P976 WeakPolarHBondContact CD1-O 3.41Å; F958-P976 HydrophobicContact CG-CB 4.27Å; F958-P976 HydrophobicContact CG-CG 4.48Å; F958-F978 AromaticContact CD1-CD1 3.97Å; F958-F978 HydrophobicContact CD1-CD1 3.97Å; F958-F978 AromaticContact CD1-CE1 3.89Å; F958-F978 HydrophobicContact CD1-CE1 3.89Å; F958-F978 HydrophobicContact CD1-CZ 4.45Å; F958-F978 HydrophobicContact CE1-CD1 4.06Å; F958-F978 AromaticContact CE1-CE1 3.51Å; F958-F978 HydrophobicContact CE1-CE1 3.51Å; F958-F978 HydrophobicContact CE1-CE2 4.41Å; F958-F978 AromaticContact CE1-CZ 3.72Å; F958-F978 HydrophobicContact CE1-CZ 3.72Å; F958-F978 HydrophobicContact CZ-CE1 4.05Å; F958-F978 HydrophobicContact CZ-CZ 4.26Å; F958-L1116 HydrophobicContact CZ-CD1 4.3Å |
| 959 | N | 77.7 | Confident | 73.7 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 21% | 0.214 | 30% | 0.3 | C | S | . | . | trans | -80 | 63.1 | 172.6 | -164.2 | 9.2 | 0 | 0 | 0 | 111 | R961 G962 C977 K979 | N959-R961 PolarHBondContact O-N 3.44Å; N959-G962 VanDerWaalsContact CG-CA 3.47Å; N959-G962 WeakPolarHBondContact O-CA 3.28Å; N959-G962 PolarHBondContact O-N 2.87Å; N959-G962 VanDerWaalsContact OD1-CA 3.3Å; N959-G962 WeakPolarHBondContact OD1-CA 3.42Å; N959-G962 PolarHBondContact OD1-N 2.79Å; N959-G962 VanDerWaalsContact OD1-N 3.11Å; N959-C977 WeakPolarHBondContact CB-O 3.47Å; N959-C977 PolarHBondContact N-O 3.29Å; N959-K979 HydrophobicContact CB-CB 3.97Å | ||
| 960 | I | 63.9 | Low | 72.9 | Confident | 138 Ų | 138 | 59.4 Ų | 59.4 | 71% | 0.708 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -30.1 | -173.5 | -53.9 | 171.4 | 0 | 0 | 0 | 112.2 | F958 | F958-I960 HydrophobicContact CB-CD1 4.49Å; F958-I960 HydrophobicContact CB-CG1 3.82Å; F958-I960 PolarHBondContact O-N 3Å |
| 961 | R | 54.4 | Low | 72.6 | Confident | 204 Ų | 204 | 58.4 Ų | 58.4 | 77% | 0.77 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -8.4 | 174.5 | -63.6 | -175.3 | -179.3 | -179 | -1 | 112.8 | N959 | N959-R961 PolarHBondContact O-N 3.44Š|
| 962 | G | 54.3 | Low | 72 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | trans | -72.5 | 135.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | N959 V964 | N959-G962 VanDerWaalsContact CG-CA 3.47Å; N959-G962 WeakPolarHBondContact O-CA 3.28Å; N959-G962 PolarHBondContact O-N 2.87Å; N959-G962 VanDerWaalsContact OD1-CA 3.3Å; N959-G962 WeakPolarHBondContact OD1-CA 3.42Å; N959-G962 PolarHBondContact OD1-N 2.79Å; N959-G962 VanDerWaalsContact OD1-N 3.11Å; G962-V964 PolarHBondContact O-N 2.98Å | ||
| 963 | Q | 52.3 | Low | 71.2 | Confident | 115 Ų | 115 | 59.3 Ų | 59.3 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -79.5 | 4.3 | -177.7 | -67.7 | 171.6 | -10.7 | 0 | 0 | 113 | R576 | R576-Q963 HydrophobicContact CG-CB 4.2Å; R576-Q963 HydrophobicContact CG-CG 4.49Å; R576-Q963 VanDerWaalsContact NH2-CD 3.34Å |
| 964 | V | 58.8 | Low | 70.4 | Confident | 35 Ų | 35 | 59.9 Ų | 59.9 | 21% | 0.212 | 30% | 0.297 | C | S | . | . | trans | -114.4 | 117.8 | -171.5 | -169.2 | 0 | 0 | 0 | 0 | 109 | L590 F591 G962 | L590-V964 HydrophobicContact CB-CG1 4.17Å; L590-V964 HydrophobicContact CD1-CG1 3.65Å; L590-V964 HydrophobicContact CD2-CB 4.37Å; L590-V964 HydrophobicContact CD2-CG1 3.88Å; L590-V964 HydrophobicContact CD2-CG2 3.68Å; L590-V964 HydrophobicContact CG-CG1 4.11Å; F591-V964 HydrophobicContact CZ-CG1 4.4Å; G962-V964 PolarHBondContact O-N 2.98Å | ||
| 965 | D | 62.9 | Low | 69.7 | Low | 22 Ų | 22 | 59.7 Ų | 59.7 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 148.1 | 164.3 | 64.8 | 61.2 | 0 | 0 | 0 | 110.4 | R582 Q967 F974 | R582-D965 IonicContact CZ-OD1 3.79Å; R582-D965 IonicContact CZ-OD2 2.69Å; R582-D965 PolarHBondContact NH1-O 3.43Å; R582-D965 IonicContact NH1-OD1 2.74Å; R582-D965 PolarHBondContact NH1-OD1 2.9Å; R582-D965 IonicContact NH1-OD2 3.11Å; R582-D965 PolarHBondContact NH1-OD2 2.67Å; R582-D965 IonicContact NH2-OD1 3.89Å; R582-D965 IonicContact NH2-OD2 2.68Å; R582-D965 PolarHBondContact NH2-OD2 3.04Å; D965-Q967 PolarHBondContact O-N 3.33Å; D965-Q967 WeakPolarHBondContact OD1-CB 3.28Å; D965-Q967 PolarHBondContact OD1-N 3.24Å; D965-Q967 VanDerWaalsContact OD1-N 3.13Å; D965-F974 HydrophobicContact CB-CD2 4.13Å; D965-F974 HydrophobicContact CB-CE2 3.3Å; D965-F974 HydrophobicContact CB-CZ 3.91Å |
| 966 | C | 73 | Confident | 68.9 | Low | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.034 | 31% | 0.305 | C | S | . | . | trans | -90.9 | 27.9 | 174.4 | -87.7 | 0 | 0 | 0 | 0 | 110.5 | A968 C977 N986 F1110 P1112 | C966-A968 PolarHBondContact O-N 2.83Å; C966-C977 WeakPolarHBondContact CA-SG 3.25Å; C966-C977 HydrophobicContact CB-CB 4.07Å; C966-C977 WeakPolarHBondContact CB-SG 3.41Å; C966-C977 PolarHBondContact N-SG 2.76Å; C966-C977 WeakPolarHBondContact SG-CA 3.23Å; C966-C977 WeakPolarHBondContact SG-CB 3.47Å; C966-C977 CovalentContact SG-SG 2.02Å; C966-C977 PolarHBondContact SG-SG 2.85Å; C966-N986 VanDerWaalsContact SG-CB 3.57Å; C966-F1110 HydrophobicContact CB-CB 4.48Å; C966-P1112 HydrophobicContact CB-CG 3.53Å | ||
| 967 | Q | 68.5 | Low | 68.5 | Low | 55 Ų | 55 | 61.3 Ų | 61.3 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | trans | -82.5 | 85.5 | -179.7 | -167.3 | 176.7 | 9.5 | 0 | 0 | 109.5 | D965 D969 P970 Q972 | D965-Q967 PolarHBondContact O-N 3.33Å; D965-Q967 WeakPolarHBondContact OD1-CB 3.28Å; D965-Q967 PolarHBondContact OD1-N 3.24Å; D965-Q967 VanDerWaalsContact OD1-N 3.13Å; Q967-D969 WeakPolarHBondContact CG-O 3.19Å; Q967-P970 PolarHBondContact NE2-O 3.44Å; Q967-Q972 PolarHBondContact NE2-O 2.93Å | ||
| 968 | A | 66.2 | Low | 68.5 | Low | 6 Ų | 6 | 60.9 Ų | 60.9 | 5% | 0.05 | 30% | 0.302 | C | S | . | . | trans | -67.9 | -37 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C966 F1110 M1153 A1154 | C966-A968 PolarHBondContact O-N 2.83Å; A968-F1110 HydrophobicContact CB-CB 4.1Å; A968-M1153 HydrophobicContact CB-CB 4.17Å; A968-M1153 CarbonylContact O-C 3.5Å; A968-M1153 VanDerWaalsContact O-O 3.12Å; A968-A1154 WeakPolarHBondContact O-CA 3.34Å; A968-A1154 PolarHBondContact O-N 2.91Å | ||
| 969 | D | 67.3 | Low | 68.7 | Low | 33 Ų | 33 | 60 Ų | 60 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -112.8 | 122 | 177.4 | -173.5 | -12.8 | 0 | 0 | 0 | 109.4 | Q967 K971 Q972 M1153 | Q967-D969 WeakPolarHBondContact CG-O 3.19Å; D969-K971 PolarHBondContact O-N 3.26Å; D969-K971 WeakPolarHBondContact OD1-CB 3.4Å; D969-K971 PolarHBondContact OD1-N 3.2Å; D969-Q972 HydrophobicContact CB-CB 4.2Å; D969-Q972 VanDerWaalsContact CB-CD 3.48Å; D969-Q972 HydrophobicContact CB-CG 3.7Å; D969-Q972 WeakPolarHBondContact O-CB 3.36Å; D969-Q972 PolarHBondContact O-N 3.11Å; D969-M1153 HydrophobicContact CB-CE 3.74Å; D969-M1153 VanDerWaalsContact OD2-CE 3.28Å; D969-M1153 WeakPolarHBondContact OD2-CE 3.12Å |
| 970 | P | 65.3 | Low | 69.4 | Low | 79 Ų | 79 | 58.8 Ų | 58.8 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -20.7 | 174.1 | -25.6 | 34.3 | 0 | 0 | 0 | 114.4 | Q967 | Q967-P970 PolarHBondContact NE2-O 3.44Š|
| 971 | K | 67.7 | Low | 70.8 | Confident | 191 Ų | 191 | 52.3 Ų | 52.3 | 83% | 0.83 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -14.7 | 176.6 | -60.7 | -180 | -179.5 | 177.7 | 0 | 114 | D969 | D969-K971 PolarHBondContact O-N 3.26Å; D969-K971 WeakPolarHBondContact OD1-CB 3.4Å; D969-K971 PolarHBondContact OD1-N 3.2Å |
| 972 | Q | 66.6 | Low | 72.7 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -76.8 | 151.2 | 176.8 | -76 | 166.4 | 5.1 | 0 | 0 | 110.7 | Q967 D969 | Q967-Q972 PolarHBondContact NE2-O 2.93Å; D969-Q972 HydrophobicContact CB-CB 4.2Å; D969-Q972 VanDerWaalsContact CB-CD 3.48Å; D969-Q972 HydrophobicContact CB-CG 3.7Å; D969-Q972 WeakPolarHBondContact O-CB 3.36Å; D969-Q972 PolarHBondContact O-N 3.11Å |
| 973 | D | 64 | Low | 74.2 | Confident | 107 Ų | 107 | 45 Ų | 45 | 57% | 0.572 | 23% | 0.229 | S | C | * | . | P | Polyproline II helix | trans | -61.3 | 139 | 170.5 | -65.7 | -36.5 | 0 | 0 | 0 | 109.6 | V975 K1117 | D973-V975 PolarHBondContact O-N 3.25Å; D973-K1117 WeakPolarHBondContact OD2-CE 3.44Å; D973-K1117 IonicContact OD2-NZ 2.69Å; D973-K1117 PolarHBondContact OD2-NZ 2.98Å |
| 974 | F | 69.5 | Low | 76 | Confident | 82 Ų | 82 | 40.7 Ų | 40.7 | 36% | 0.36 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -64.8 | 117.4 | 177 | 179.5 | -90.8 | 0 | 0 | 0 | 110.7 | D965 P976 | D965-F974 HydrophobicContact CB-CD2 4.13Å; D965-F974 HydrophobicContact CB-CE2 3.3Å; D965-F974 HydrophobicContact CB-CZ 3.91Å; F974-P976 HydrophobicContact CE1-CG 3.95Å |
| 975 | V | 72.4 | Confident | 77.7 | Confident | 16 Ų | 16 | 39 Ų | 39 | 10% | 0.097 | 20% | 0.198 | C | C | . | . | trans | -125.4 | 122.9 | 170.1 | 178.1 | 0 | 0 | 0 | 0 | 108 | F958 D973 P1112 D1113 L1116 | F958-V975 HydrophobicContact CE1-CG1 4.03Å; D973-V975 PolarHBondContact O-N 3.25Å; V975-P1112 HydrophobicContact CB-CG 4.31Å; V975-P1112 HydrophobicContact CG1-CB 4.23Å; V975-P1112 HydrophobicContact CG1-CG 3.99Å; V975-D1113 HydrophobicContact CB-CB 4.2Å; V975-D1113 HydrophobicContact CG2-CB 3.56Å; V975-L1116 HydrophobicContact CG1-CD1 3.7Å; V975-L1116 HydrophobicContact CG2-CD1 4.18Å | ||
| 976 | P | 75.2 | Confident | 79 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 24% | 0.24 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -58.3 | 147.9 | 174.3 | -21 | 31.3 | 0 | 0 | 0 | 111.2 | F958 F974 | F958-P976 HydrophobicContact CB-CB 4.21Å; F958-P976 HydrophobicContact CD1-CB 3.97Å; F958-P976 HydrophobicContact CD1-CG 4.37Å; F958-P976 WeakPolarHBondContact CD1-O 3.41Å; F958-P976 HydrophobicContact CG-CB 4.27Å; F958-P976 HydrophobicContact CG-CG 4.48Å; F974-P976 HydrophobicContact CE1-CG 3.95Å |
| 977 | C | 83.7 | Confident | 79.7 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.034 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 149.3 | 168.9 | -62.3 | 0 | 0 | 0 | 0 | 111 | N959 C966 | N959-C977 WeakPolarHBondContact CB-O 3.47Å; N959-C977 PolarHBondContact N-O 3.29Å; C966-C977 WeakPolarHBondContact CA-SG 3.25Å; C966-C977 HydrophobicContact CB-CB 4.07Å; C966-C977 WeakPolarHBondContact CB-SG 3.41Å; C966-C977 PolarHBondContact N-SG 2.76Å; C966-C977 WeakPolarHBondContact SG-CA 3.23Å; C966-C977 WeakPolarHBondContact SG-CB 3.47Å; C966-C977 CovalentContact SG-SG 2.02Å; C966-C977 PolarHBondContact SG-SG 2.85Å |
| 978 | F | 89.1 | Confident | 80.8 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 2% | 0.022 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -74.3 | 154.9 | 168.2 | -70.8 | -72.3 | 0 | 0 | 0 | 111.6 | L955 L956 P957 F958 N986 L992 P1112 L1116 | L955-F978 HydrophobicContact CB-CE1 4.03Å; L955-F978 HydrophobicContact CB-CZ 4.4Å; L955-F978 HydrophobicContact CD1-CE1 4.31Å; L955-F978 HydrophobicContact CD1-CZ 3.95Å; L956-F978 HydrophobicContact CB-CB 3.87Å; L956-F978 HydrophobicContact CB-CD1 3.79Å; L956-F978 HydrophobicContact CB-CG 4.08Å; L956-F978 HydrophobicContact CD1-CB 4.06Å; L956-F978 WeakPolarHBondContact O-CD1 3.32Å; L956-F978 VanDerWaalsContact O-CE1 3.29Å; L956-F978 WeakPolarHBondContact O-CE1 3.35Å; P957-F978 CarbonylContact O-C 3.5Å; F958-F978 AromaticContact CD1-CD1 3.97Å; F958-F978 HydrophobicContact CD1-CD1 3.97Å; F958-F978 AromaticContact CD1-CE1 3.89Å; F958-F978 HydrophobicContact CD1-CE1 3.89Å; F958-F978 HydrophobicContact CD1-CZ 4.45Å; F958-F978 HydrophobicContact CE1-CD1 4.06Å; F958-F978 AromaticContact CE1-CE1 3.51Å; F958-F978 HydrophobicContact CE1-CE1 3.51Å; F958-F978 HydrophobicContact CE1-CE2 4.41Å; F958-F978 AromaticContact CE1-CZ 3.72Å; F958-F978 HydrophobicContact CE1-CZ 3.72Å; F958-F978 HydrophobicContact CZ-CE1 4.05Å; F958-F978 HydrophobicContact CZ-CZ 4.26Å; F978-N986 PolarHBondContact N-ND2 3.1Å; F978-N986 PolarHBondContact N-OD1 2.79Å; F978-N986 PolarHBondContact O-ND2 3.32Å; F978-L992 HydrophobicContact CB-CD1 3.83Å; F978-L992 HydrophobicContact CD2-CD1 3.68Å; F978-L992 HydrophobicContact CD2-CD2 3.64Å; F978-L992 HydrophobicContact CD2-CG 4.19Å; F978-L992 HydrophobicContact CE2-CD2 3.98Å; F978-L992 HydrophobicContact CG-CD1 4.03Å; F978-P1112 HydrophobicContact CD2-CB 3.87Å; F978-P1112 HydrophobicContact CE2-CB 3.7Å; F978-L1116 HydrophobicContact CZ-CD2 4.38Å |
| 979 | K | 90 | Very high | 82.2 | Confident | 37 Ų | 37 | 37.4 Ų | 37.4 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | trans | -107.5 | 127.1 | 177.1 | -173.6 | 173.1 | -179.7 | 137.4 | 0 | 110.3 | L933 P957 N959 | L933-K979 HydrophobicContact CD2-CD 4.34Å; L933-K979 HydrophobicContact CD2-CG 3.87Å; P957-K979 HydrophobicContact CG-CB 4.45Å; P957-K979 PolarHBondContact O-N 3.41Å; N959-K979 HydrophobicContact CB-CB 3.97Å | ||
| 980 | A | 93.2 | Very high | 83.6 | Confident | 13 Ų | 13 | 36 Ų | 36 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | trans | -135.3 | -177.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | L956 D982 H995 | L956-A980 HydrophobicContact CD1-CB 4.44Å; L956-A980 HydrophobicContact CD2-CB 4.4Å; A980-D982 PolarHBondContact O-N 3.46Å; A980-H995 HydrophobicContact CB-CB 4.34Å | ||
| 981 | G | 93.4 | Very high | 85.1 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -67.7 | -17.3 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | N921 | N921-G981 CarbonylContact O-C 3.55Å; N921-G981 VanDerWaalsContact O-CA 3.31Å; N921-G981 WeakPolarHBondContact O-CA 3.44Å; N921-G981 PolarHBondContact O-N 2.96Å |
| 982 | D | 92.5 | Very high | 86.4 | Confident | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -123.2 | 137.5 | 174.3 | 175.4 | 87.3 | 0 | 0 | 0 | 111.4 | H836 N921 A980 R984 S985 | H836-D982 IonicContact ND1-OD2 3.21Å; H836-D982 PolarHBondContact ND1-OD2 2.76Å; N921-D982 HydrophobicContact CB-CB 3.98Å; N921-D982 PolarHBondContact O-N 3.4Å; A980-D982 PolarHBondContact O-N 3.46Å; D982-R984 VanDerWaalsContact C-N 3.28Å; D982-R984 PolarHBondContact O-N 3.02Å; D982-R984 IonicContact OD1-CZ 2.69Å; D982-R984 VanDerWaalsContact OD1-CZ 3.3Å; D982-R984 IonicContact OD1-NE 2.84Å; D982-R984 PolarHBondContact OD1-NE 3.22Å; D982-R984 IonicContact OD1-NH2 2.89Å; D982-R984 PolarHBondContact OD1-NH2 3.4Å; D982-R984 VanDerWaalsContact OD2-CA 3.27Å; D982-R984 WeakPolarHBondContact OD2-CA 3.37Å; D982-R984 WeakPolarHBondContact OD2-CB 3.37Å; D982-R984 PolarHBondContact OD2-N 3.48Å; D982-R984 IonicContact OD2-NE 3.5Å; D982-R984 PolarHBondContact OD2-NE 3.29Å; D982-S985 WeakPolarHBondContact O-CB 3.31Å; D982-S985 PolarHBondContact O-N 2.96Å; D982-S985 PolarHBondContact O-OG 2.04Å |
| 983 | H | 86.4 | Confident | 87.8 | Confident | 68 Ų | 68 | 22 Ų | 22 | 32% | 0.315 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | -68.2 | -24.4 | -176.9 | -64.2 | -28.2 | 0 | 0 | 0 | 113.6 | F591 E929 S985 | F591-H983 WeakPolarHBondContact CD1-O 3.32Å; E929-H983 IonicContact OE1-CE1 3.42Å; E929-H983 PolarHBondContact OE1-CE1 2.92Å; E929-H983 IonicContact OE1-NE2 3.31Å; E929-H983 PolarHBondContact OE1-NE2 3.48Å; H983-S985 VanDerWaalsContact C-N 3.25Å; H983-S985 PolarHBondContact O-N 2.6Å |
| 984 | R | 91.2 | Very high | 89.5 | Confident | 25 Ų | 25 | 16.9 Ų | 16.9 | 9% | 0.094 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -82.8 | -0.1 | -179.1 | -51.1 | 163.1 | -79.8 | -168 | -13 | 112.4 | F591 D835 H836 D839 F840 D982 N986 E987 L991 | F591-R984 HydrophobicContact CB-CG 4.38Å; F591-R984 WeakPolarHBondContact O-CG 3.03Å; D835-R984 IonicContact OD1-NH1 3.93Å; H836-R984 VanDerWaalsContact CA-NH2 3.32Å; H836-R984 VanDerWaalsContact CD2-CZ 3.43Å; H836-R984 PolarHBondContact CD2-NH1 3.13Å; H836-R984 VanDerWaalsContact CD2-NH1 3.3Å; H836-R984 WeakPolarHBondContact CE1-CB 3.48Å; H836-R984 VanDerWaalsContact CG-CZ 3.45Å; H836-R984 PolarHBondContact ND1-NE 3.03Å; H836-R984 PolarHBondContact O-NH2 2.96Å; D839-R984 PolarHBondContact O-NH1 3.1Å; D839-R984 PolarHBondContact O-NH2 3.01Å; F840-R984 HydrophobicContact CD2-CG 4.26Å; F840-R984 HydrophobicContact CE2-CG 3.77Å; D982-R984 VanDerWaalsContact C-N 3.28Å; D982-R984 PolarHBondContact O-N 3.02Å; D982-R984 IonicContact OD1-CZ 2.69Å; D982-R984 VanDerWaalsContact OD1-CZ 3.3Å; D982-R984 IonicContact OD1-NE 2.84Å; D982-R984 PolarHBondContact OD1-NE 3.22Å; D982-R984 IonicContact OD1-NH2 2.89Å; D982-R984 PolarHBondContact OD1-NH2 3.4Å; D982-R984 VanDerWaalsContact OD2-CA 3.27Å; D982-R984 WeakPolarHBondContact OD2-CA 3.37Å; D982-R984 WeakPolarHBondContact OD2-CB 3.37Å; D982-R984 PolarHBondContact OD2-N 3.48Å; D982-R984 IonicContact OD2-NE 3.5Å; D982-R984 PolarHBondContact OD2-NE 3.29Å; R984-N986 PolarHBondContact O-N 2.86Å; R984-E987 WeakPolarHBondContact O-CB 3.32Å; R984-E987 PolarHBondContact O-N 3.13Å; R984-L991 WeakPolarHBondContact O-CD2 3.06Å |
| 985 | S | 92.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.007 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -51.1 | -26.2 | -178.8 | 51 | 0 | 0 | 0 | 0 | 116.1 | D982 H983 L992 H995 | D982-S985 WeakPolarHBondContact O-CB 3.31Å; D982-S985 PolarHBondContact O-N 2.96Å; D982-S985 PolarHBondContact O-OG 2.04Å; H983-S985 VanDerWaalsContact C-N 3.25Å; H983-S985 PolarHBondContact O-N 2.6Å; S985-L992 VanDerWaalsContact O-CA 3.28Å; S985-L992 WeakPolarHBondContact O-CA 3.48Å; S985-L992 WeakPolarHBondContact O-CB 3.03Å; S985-L992 PolarHBondContact O-N 3.01Å; S985-H995 WeakPolarHBondContact CB-CD2 3.25Å; S985-H995 WeakPolarHBondContact CB-NE2 3.2Å |
| 986 | N | 90.7 | Very high | 92 | Very high | 6 Ų | 6 | 12.4 Ų | 12.4 | 3% | 0.032 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -94.8 | 5.1 | 179.1 | -67.8 | -103.7 | 0 | 0 | 0 | 113.6 | C966 F978 R984 N988 F1110 | C966-N986 VanDerWaalsContact SG-CB 3.57Å; F978-N986 PolarHBondContact N-ND2 3.1Å; F978-N986 PolarHBondContact N-OD1 2.79Å; F978-N986 PolarHBondContact O-ND2 3.32Å; R984-N986 PolarHBondContact O-N 2.86Å; N986-N988 PolarHBondContact O-N 2.86Å; N986-F1110 HydrophobicContact CB-CD1 4.29Å; N986-F1110 WeakPolarHBondContact O-CD1 3.38Å; N986-F1110 WeakPolarHBondContact O-CE1 3.25Å; N986-F1110 PolarHBondContact O-N 3.34Å |
| 987 | E | 89.1 | Confident | 93.1 | Very high | 31 Ų | 31 | 10.7 Ų | 10.7 | 15% | 0.145 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -56.6 | -48.7 | -174.8 | -172.9 | -91.8 | 162.1 | 0 | 0 | 112 | Q832 R984 L991 F1109 F1110 | Q832-E987 PolarHBondContact NE2-OE2 3.08Å; R984-E987 WeakPolarHBondContact O-CB 3.32Å; R984-E987 PolarHBondContact O-N 3.13Å; E987-L991 HydrophobicContact CB-CD2 4.19Å; E987-F1109 WeakPolarHBondContact O-CA 3.46Å; E987-F1109 WeakPolarHBondContact O-CD1 3.34Å; E987-F1109 WeakPolarHBondContact OE1-CD1 3.49Å; E987-F1109 WeakPolarHBondContact OE1-CE1 3.28Å; E987-F1110 HydrophobicContact CB-CE1 4.21Å; E987-F1110 HydrophobicContact CB-CZ 4.21Å; E987-F1110 HydrophobicContact CG-CZ 4.14Å; E987-F1110 PolarHBondContact O-N 3.43Å; E987-F1110 VanDerWaalsContact O-N 3.15Å |
| 988 | N | 91.6 | Very high | 93.8 | Very high | 14 Ų | 14 | 10.5 Ų | 10.5 | 8% | 0.075 | 5% | 0.052 | C | C | . | . | B | Isolated β-bridge | trans | -140.9 | 164.1 | 171.2 | 74.8 | 72.9 | 0 | 0 | 0 | 111.9 | Q829 Q832 N986 G990 L991 L992 F1109 | Q829-N988 PolarHBondContact OE1-OD1 3.34Å; Q832-N988 PolarHBondContact OE1-ND2 2.95Å; N986-N988 PolarHBondContact O-N 2.86Å; N988-G990 VanDerWaalsContact C-N 3.33Å; N988-G990 PolarHBondContact O-N 3.38Å; N988-G990 WeakPolarHBondContact OD1-CA 3.44Å; N988-G990 PolarHBondContact OD1-N 3.06Å; N988-L991 PolarHBondContact O-N 2.88Å; N988-L991 PolarHBondContact OD1-N 3.12Å; N988-L992 PolarHBondContact O-N 3.46Å; N988-F1109 HydrophobicContact CB-CD1 4.11Å; N988-F1109 HydrophobicContact CB-CE1 4.37Å |
| 989 | L | 94.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.01 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.2 | -32 | -175.4 | -53.9 | 179.9 | 0 | 0 | 0 | 114.2 | S993 L1103 A1108 A1111 R1114 L1115 I1124 | L989-S993 WeakPolarHBondContact O-CB 3.5Å; L989-S993 PolarHBondContact O-N 3.26Å; L989-S993 PolarHBondContact O-OG 3.1Å; L989-L1103 HydrophobicContact CD1-CD1 3.91Å; L989-A1108 HydrophobicContact CD1-CB 4.13Å; L989-A1108 HydrophobicContact CG-CB 4.15Å; L989-A1111 HydrophobicContact CD2-CB 4.2Å; L989-A1111 WeakPolarHBondContact CD2-O 3.43Å; L989-R1114 HydrophobicContact CD1-CB 3.74Å; L989-R1114 HydrophobicContact CD1-CG 4.15Å; L989-R1114 HydrophobicContact CD2-CB 4.15Å; L989-L1115 HydrophobicContact CB-CD1 3.99Å; L989-L1115 HydrophobicContact CD2-CD1 3.54Å; L989-L1115 HydrophobicContact CG-CD1 4.2Å; L989-I1124 HydrophobicContact CB-CD1 4.35Å; L989-I1124 HydrophobicContact CB-CG1 4.27Å; L989-I1124 HydrophobicContact CB-CG2 4.41Å; L989-I1124 HydrophobicContact CD1-CD1 4.13Å |
| 990 | G | 96.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 9.6 Ų | 9.6 | 3% | 0.031 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -69.5 | -43.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N988 S993 L994 | N988-G990 VanDerWaalsContact C-N 3.33Å; N988-G990 PolarHBondContact O-N 3.38Å; N988-G990 WeakPolarHBondContact OD1-CA 3.44Å; N988-G990 PolarHBondContact OD1-N 3.06Å; G990-S993 WeakPolarHBondContact O-CB 3.42Å; G990-S993 PolarHBondContact O-N 3.36Å; G990-L994 PolarHBondContact O-N 2.88Å; G990-L994 VanDerWaalsContact O-N 3.1Å |
| 991 | L | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 174.5 | -178 | 62.8 | 0 | 0 | 0 | 111.2 | Q832 F833 H836 R984 E987 N988 S993 L994 H995 | Q832-L991 HydrophobicContact CG-CD1 4.44Å; F833-L991 HydrophobicContact CB-CD1 4.23Å; F833-L991 HydrophobicContact CD2-CD1 4.02Å; H836-L991 VanDerWaalsContact CE1-CD2 3.45Å; H836-L991 WeakPolarHBondContact CE1-CD2 3.36Å; R984-L991 WeakPolarHBondContact O-CD2 3.06Å; E987-L991 HydrophobicContact CB-CD2 4.19Å; N988-L991 PolarHBondContact O-N 2.88Å; N988-L991 PolarHBondContact OD1-N 3.12Å; L991-S993 VanDerWaalsContact C-N 3.25Å; L991-S993 PolarHBondContact O-N 3.38Å; L991-L994 PolarHBondContact O-N 3.49Å; L991-L994 VanDerWaalsContact O-N 3.12Å; L991-H995 PolarHBondContact O-CD2 2.85Å; L991-H995 VanDerWaalsContact O-CD2 3.29Å; L991-H995 PolarHBondContact O-N 2.93Å |
| 992 | L | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 9.1 Ų | 9.1 | 1% | 0.01 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -59.3 | -37.4 | 177.1 | -179.4 | 59.5 | 0 | 0 | 0 | 112.4 | L956 F978 S985 N988 H995 T996 P1112 L1115 | L956-L992 HydrophobicContact CD1-CD1 3.71Å; F978-L992 HydrophobicContact CB-CD1 3.83Å; F978-L992 HydrophobicContact CD2-CD1 3.68Å; F978-L992 HydrophobicContact CD2-CD2 3.64Å; F978-L992 HydrophobicContact CD2-CG 4.19Å; F978-L992 HydrophobicContact CE2-CD2 3.98Å; F978-L992 HydrophobicContact CG-CD1 4.03Å; S985-L992 VanDerWaalsContact O-CA 3.28Å; S985-L992 WeakPolarHBondContact O-CA 3.48Å; S985-L992 WeakPolarHBondContact O-CB 3.03Å; S985-L992 PolarHBondContact O-N 3.01Å; N988-L992 PolarHBondContact O-N 3.46Å; L992-H995 PolarHBondContact O-N 3.3Å; L992-T996 PolarHBondContact O-N 3.2Å; L992-T996 PolarHBondContact O-OG1 2.81Å; L992-P1112 HydrophobicContact CD2-CB 4.15Å; L992-L1115 HydrophobicContact CD2-CD1 4.12Å; L992-L1115 HydrophobicContact CD2-CD2 3.72Å; L992-L1115 HydrophobicContact CD2-CG 4.48Å; L992-L1115 HydrophobicContact CG-CD2 3.87Å |
| 993 | S | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 175.4 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | L989 G990 L991 T996 L997 | L989-S993 WeakPolarHBondContact O-CB 3.5Å; L989-S993 PolarHBondContact O-N 3.26Å; L989-S993 PolarHBondContact O-OG 3.1Å; G990-S993 WeakPolarHBondContact O-CB 3.42Å; G990-S993 PolarHBondContact O-N 3.36Å; L991-S993 VanDerWaalsContact C-N 3.25Å; L991-S993 PolarHBondContact O-N 3.38Å; S993-T996 PolarHBondContact O-N 2.56Å; S993-L997 WeakPolarHBondContact O-CG 3.36Å; S993-L997 PolarHBondContact O-N 3.23Å |
| 994 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.7 | -71.8 | -169.2 | 0 | 0 | 0 | 112.5 | M826 Q829 F833 G990 L991 T996 L997 W998 | M826-L994 HydrophobicContact CE-CD2 4.46Å; M826-L994 HydrophobicContact SD-CD2 4.05Å; Q829-L994 HydrophobicContact CB-CD1 4.4Å; Q829-L994 HydrophobicContact CG-CD1 3.65Å; Q829-L994 HydrophobicContact CG-CG 4.05Å; F833-L994 HydrophobicContact CB-CD1 3.66Å; F833-L994 HydrophobicContact CD2-CB 3.84Å; F833-L994 HydrophobicContact CD2-CD1 4.38Å; F833-L994 HydrophobicContact CE2-CB 4.16Å; F833-L994 HydrophobicContact CG-CB 4.2Å; F833-L994 HydrophobicContact CG-CD1 3.96Å; G990-L994 PolarHBondContact O-N 2.88Å; G990-L994 VanDerWaalsContact O-N 3.1Å; L991-L994 PolarHBondContact O-N 3.49Å; L991-L994 VanDerWaalsContact O-N 3.12Å; L994-T996 VanDerWaalsContact C-N 3.26Å; L994-T996 PolarHBondContact O-N 3.43Å; L994-L997 HydrophobicContact CD2-CD1 3.97Å; L994-L997 PolarHBondContact O-N 2.98Å; L994-W998 VanDerWaalsContact O-CD1 3.23Å; L994-W998 PolarHBondContact O-N 3.41Å |
| 995 | H | 98.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 7.3 Ų | 7.3 | 1% | 0.014 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -58.8 | -40.1 | 174.6 | -79.3 | -82.9 | 0 | 0 | 0 | 112 | F833 N921 L956 A980 S985 L991 L992 W998 L999 | F833-H995 AromaticContact CE2-CE1 3.88Å; F833-H995 AromaticContact CE2-CG 3.91Å; F833-H995 AromaticContact CE2-ND1 3.82Å; N921-H995 PolarHBondContact O-CE1 2.74Å; N921-H995 PolarHBondContact O-ND1 2.69Å; N921-H995 VanDerWaalsContact O-ND1 3.13Å; L956-H995 HydrophobicContact CD1-CB 3.81Å; A980-H995 HydrophobicContact CB-CB 4.34Å; S985-H995 WeakPolarHBondContact CB-CD2 3.25Å; S985-H995 WeakPolarHBondContact CB-NE2 3.2Å; L991-H995 PolarHBondContact O-CD2 2.85Å; L991-H995 VanDerWaalsContact O-CD2 3.29Å; L991-H995 PolarHBondContact O-N 2.93Å; L992-H995 PolarHBondContact O-N 3.3Å; H995-W998 PolarHBondContact O-N 3.3Å; H995-L999 PolarHBondContact O-N 3.21Å; H995-L999 VanDerWaalsContact O-N 3.07Å |
| 996 | T | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 1% | 0.006 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -67.5 | -41.5 | 177.4 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | L955 L992 S993 L994 W998 L999 R1000 M1121 | L955-T996 HydrophobicContact CD2-CG2 4.1Å; L992-T996 PolarHBondContact O-N 3.2Å; L992-T996 PolarHBondContact O-OG1 2.81Å; S993-T996 PolarHBondContact O-N 2.56Å; L994-T996 VanDerWaalsContact C-N 3.26Å; L994-T996 PolarHBondContact O-N 3.43Å; T996-W998 PolarHBondContact O-N 3.45Å; T996-L999 PolarHBondContact O-N 2.03Å; T996-R1000 WeakPolarHBondContact O-CG 3.37Å; T996-R1000 PolarHBondContact O-N 2.77Å; T996-R1000 VanDerWaalsContact O-N 3.08Å; T996-M1121 HydrophobicContact CG2-CE 3.45Å; T996-M1121 VanDerWaalsContact CG2-CE 3.45Å; T996-M1121 HydrophobicContact CG2-SD 4.43Å |
| 997 | L | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 175.7 | -76.8 | 173 | 0 | 0 | 0 | 112.3 | S993 L994 R1000 E1001 M1121 L1125 I1287 N1290 | S993-L997 WeakPolarHBondContact O-CG 3.36Å; S993-L997 PolarHBondContact O-N 3.23Å; L994-L997 HydrophobicContact CD2-CD1 3.97Å; L994-L997 PolarHBondContact O-N 2.98Å; L997-R1000 PolarHBondContact O-N 2.97Å; L997-E1001 PolarHBondContact O-N 3.35Å; L997-M1121 HydrophobicContact CD2-SD 4.14Å; L997-M1121 HydrophobicContact CG-SD 4.16Å; L997-L1125 HydrophobicContact CD1-CD1 3.8Å; L997-L1125 HydrophobicContact CD1-CD2 3.65Å; L997-L1125 HydrophobicContact CD1-CG 4.4Å; L997-L1125 HydrophobicContact CD2-CD1 4.05Å; L997-L1125 HydrophobicContact CG-CD1 4.18Å; L997-I1287 HydrophobicContact CD1-CG1 4.04Å; L997-N1290 HydrophobicContact CD2-CB 3.62Å |
| 998 | W | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 0% | 0.004 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -76.1 | -28.5 | -177.7 | -75.9 | 104.6 | 0 | 0 | 0 | 113.8 | W830 F833 V922 L994 H995 T996 E1001 H1002 V1029 M1033 I1036 I1286 | W830-W998 HydrophobicContact CH2-CH2 4.34Å; W830-W998 AromaticContact CH2-CZ2 3.45Å; W830-W998 HydrophobicContact CH2-CZ2 3.45Å; W830-W998 VanDerWaalsContact CH2-CZ2 3.45Å; W830-W998 AromaticContact CZ3-CE2 3.9Å; W830-W998 AromaticContact CZ3-CZ2 3.6Å; W830-W998 HydrophobicContact CZ3-CZ2 3.6Å; W830-W998 AromaticContact CZ3-NE1 3.61Å; F833-W998 AromaticContact CE1-CD1 3.36Å; F833-W998 HydrophobicContact CE1-CG 4.08Å; F833-W998 AromaticContact CE1-NE1 3.48Å; F833-W998 HydrophobicContact CZ-CB 4.22Å; F833-W998 AromaticContact CZ-CD1 3.27Å; F833-W998 AromaticContact CZ-CG 3.85Å; F833-W998 HydrophobicContact CZ-CG 3.85Å; F833-W998 AromaticContact CZ-NE1 3.92Å; V922-W998 HydrophobicContact CG2-CB 3.7Å; V922-W998 HydrophobicContact CG2-CG 4.49Å; L994-W998 VanDerWaalsContact O-CD1 3.23Å; L994-W998 PolarHBondContact O-N 3.41Å; H995-W998 PolarHBondContact O-N 3.3Å; T996-W998 PolarHBondContact O-N 3.45Å; W998-E1001 HydrophobicContact CE3-CB 4.36Å; W998-E1001 HydrophobicContact CE3-CG 4.32Å; W998-E1001 HydrophobicContact CZ3-CG 4.38Å; W998-H1002 PolarHBondContact O-N 2.88Å; W998-H1002 VanDerWaalsContact O-N 3.1Å; W998-V1029 HydrophobicContact CE3-CB 4.48Å; W998-V1029 HydrophobicContact CE3-CG1 3.62Å; W998-V1029 HydrophobicContact CE3-CG2 4.36Å; W998-V1029 HydrophobicContact CZ3-CB 4.38Å; W998-V1029 HydrophobicContact CZ3-CG1 3.8Å; W998-V1029 HydrophobicContact CZ3-CG2 4.41Å; W998-M1033 HydrophobicContact CD2-SD 4.48Å; W998-M1033 HydrophobicContact CE3-CG 4.43Å; W998-M1033 HydrophobicContact CH2-CG 3.59Å; W998-M1033 HydrophobicContact CZ2-CG 3.79Å; W998-M1033 HydrophobicContact CZ3-CG 3.96Å; W998-I1036 HydrophobicContact CH2-CD1 3.97Å; W998-I1036 HydrophobicContact CZ2-CD1 3.95Å; W998-I1286 HydrophobicContact CH2-CD1 3.23Å; W998-I1286 HydrophobicContact CZ2-CD1 3.59Å; W998-I1286 HydrophobicContact CZ3-CD1 3.86Å |
| 999 | L | 97.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 9.9 Ų | 9.9 | 4% | 0.042 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -59.1 | -51.3 | 164.8 | 178.8 | 84.1 | 0 | 0 | 0 | 110.4 | M943 L956 H995 T996 E1001 H1002 N1003 | M943-L999 HydrophobicContact CB-CD1 3.3Å; M943-L999 HydrophobicContact CB-CG 4.45Å; M943-L999 HydrophobicContact CG-CD1 4.14Å; L956-L999 HydrophobicContact CD2-CB 3.95Å; L956-L999 HydrophobicContact CD2-CD1 4.39Å; L956-L999 HydrophobicContact CD2-CD2 3.95Å; L956-L999 HydrophobicContact CD2-CG 4.3Å; H995-L999 PolarHBondContact O-N 3.21Å; H995-L999 VanDerWaalsContact O-N 3.07Å; T996-L999 PolarHBondContact O-N 2.03Å; L999-E1001 VanDerWaalsContact C-N 3.3Å; L999-E1001 PolarHBondContact O-N 3.38Å; L999-H1002 WeakPolarHBondContact O-CB 3.27Å; L999-H1002 PolarHBondContact O-N 2.87Å; L999-N1003 PolarHBondContact O-N 3.24Å; L999-N1003 VanDerWaalsContact O-N 3.11Å |
| 1000 | R | 97.6 | Very high | 97 | Very high | 15 Ų | 15 | 13.9 Ų | 13.9 | 6% | 0.057 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -61 | -40.5 | -179.8 | -71.6 | 175 | 178.1 | -167.5 | -3.1 | 111.5 | K953 S954 T996 L997 H1002 N1003 R1004 M1121 N1290 D1292 | K953-R1000 VanDerWaalsContact CB-NH2 3.32Å; K953-R1000 PolarHBondContact O-NH2 3.43Å; S954-R1000 PolarHBondContact O-NE 3.35Å; S954-R1000 PolarHBondContact O-NH2 3.03Å; S954-R1000 VanDerWaalsContact O-NH2 3.12Å; T996-R1000 WeakPolarHBondContact O-CG 3.37Å; T996-R1000 PolarHBondContact O-N 2.77Å; T996-R1000 VanDerWaalsContact O-N 3.08Å; L997-R1000 PolarHBondContact O-N 2.97Å; R1000-H1002 PolarHBondContact O-N 2.98Å; R1000-N1003 PolarHBondContact O-N 3.2Å; R1000-R1004 WeakPolarHBondContact O-CB 3.37Å; R1000-R1004 PolarHBondContact O-N 2.92Å; R1000-M1121 VanDerWaalsContact NH2-CE 3.3Å; R1000-N1290 HydrophobicContact CB-CB 3.88Å; R1000-N1290 WeakPolarHBondContact CB-OD1 3.47Å; R1000-N1290 WeakPolarHBondContact CD-O 3.42Å; R1000-N1290 PolarHBondContact NH1-O 2.77Å; R1000-N1290 PolarHBondContact O-OD1 3.31Å; R1000-D1292 IonicContact CZ-OD1 2.76Å; R1000-D1292 VanDerWaalsContact CZ-OD1 3.29Å; R1000-D1292 IonicContact NH1-OD1 3.48Å; R1000-D1292 PolarHBondContact NH1-OD1 3.38Å; R1000-D1292 IonicContact NH2-OD1 3.33Å; R1000-D1292 PolarHBondContact NH2-OD1 3.06Å |
| 1001 | E | 98 | Very high | 96.9 | Very high | 7 Ų | 7 | 19.1 Ų | 19.1 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 177.1 | -179.5 | 57 | -168.8 | 0 | 0 | 111.8 | L997 W998 L999 R1004 L1005 V1029 I1286 N1290 | L997-E1001 PolarHBondContact O-N 3.35Å; W998-E1001 HydrophobicContact CE3-CB 4.36Å; W998-E1001 HydrophobicContact CE3-CG 4.32Å; W998-E1001 HydrophobicContact CZ3-CG 4.38Å; L999-E1001 VanDerWaalsContact C-N 3.3Å; L999-E1001 PolarHBondContact O-N 3.38Å; E1001-R1004 PolarHBondContact O-N 2.88Å; E1001-R1004 IonicContact OE1-CZ 3.44Å; E1001-R1004 IonicContact OE1-NE 2.77Å; E1001-R1004 IonicContact OE1-NH2 3.72Å; E1001-R1004 PolarHBondContact OE1-NH2 3.19Å; E1001-R1004 IonicContact OE2-CZ 3.56Å; E1001-R1004 IonicContact OE2-NE 3.11Å; E1001-R1004 PolarHBondContact OE2-NE 3.33Å; E1001-R1004 IonicContact OE2-NH2 2.76Å; E1001-R1004 PolarHBondContact OE2-NH2 3.41Å; E1001-L1005 HydrophobicContact CG-CD1 4.08Å; E1001-L1005 HydrophobicContact CG-CG 4.47Å; E1001-L1005 WeakPolarHBondContact O-CB 3.38Å; E1001-L1005 WeakPolarHBondContact O-CG 3.21Å; E1001-L1005 PolarHBondContact O-N 3.31Å; E1001-V1029 HydrophobicContact CG-CG2 4.42Å; E1001-I1286 HydrophobicContact CB-CG2 4.38Å; E1001-I1286 HydrophobicContact CG-CG2 4.46Å; E1001-N1290 WeakPolarHBondContact CA-OD1 3.36Å; E1001-N1290 PolarHBondContact N-OD1 2.93Å; E1001-N1290 PolarHBondContact OE2-ND2 2.9Å |
| 1002 | H | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.8 | -51.1 | 173.6 | 176.9 | 97.1 | 0 | 0 | 0 | 111.6 | Y923 G941 M943 W998 L999 R1000 R1004 L1005 A1006 F1022 | Y923-H1002 AromaticContact CE1-CE1 3.7Å; Y923-H1002 AromaticContact CE1-ND1 3.28Å; Y923-H1002 VanDerWaalsContact CE1-ND1 3.28Å; Y923-H1002 WeakPolarHBondContact CE1-ND1 3.35Å; Y923-H1002 AromaticContact CZ-ND1 3.48Å; Y923-H1002 PolarHBondContact OH-ND1 2.92Å; G941-H1002 PolarHBondContact O-NE2 2.72Å; M943-H1002 HydrophobicContact CG-CB 4.44Å; M943-H1002 VanDerWaalsContact CG-CD2 3.43Å; M943-H1002 WeakPolarHBondContact CG-CD2 3.1Å; W998-H1002 PolarHBondContact O-N 2.88Å; W998-H1002 VanDerWaalsContact O-N 3.1Å; L999-H1002 WeakPolarHBondContact O-CB 3.27Å; L999-H1002 PolarHBondContact O-N 2.87Å; R1000-H1002 PolarHBondContact O-N 2.98Å; H1002-R1004 VanDerWaalsContact C-N 3.33Å; H1002-R1004 PolarHBondContact O-N 2.91Å; H1002-L1005 PolarHBondContact O-N 3.31Å; H1002-A1006 WeakPolarHBondContact O-CB 3.06Å; H1002-A1006 PolarHBondContact O-N 2.96Å; H1002-F1022 AromaticContact CE1-CD2 3.5Å; H1002-F1022 AromaticContact CE1-CE2 3.87Å; H1002-F1022 AromaticContact NE2-CD2 3.71Å |
| 1003 | N | 97.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.027 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.1 | -37.8 | -177.4 | -75 | -3.4 | 0 | 0 | 0 | 111.8 | K942 M943 E945 L999 R1000 L1005 A1006 D1007 | K942-N1003 WeakPolarHBondContact CA-OD1 3.35Å; K942-N1003 WeakPolarHBondContact CB-OD1 3.5Å; M943-N1003 PolarHBondContact N-OD1 2.91Å; M943-N1003 PolarHBondContact O-ND2 3.17Å; M943-N1003 PolarHBondContact O-OD1 3.03Å; E945-N1003 VanDerWaalsContact CG-ND2 3.31Å; E945-N1003 WeakPolarHBondContact CG-ND2 3.25Å; E945-N1003 PolarHBondContact OE1-ND2 2.94Å; L999-N1003 PolarHBondContact O-N 3.24Å; L999-N1003 VanDerWaalsContact O-N 3.11Å; R1000-N1003 PolarHBondContact O-N 3.2Å; N1003-L1005 PolarHBondContact O-N 3.34Å; N1003-A1006 PolarHBondContact O-N 3.09Å; N1003-D1007 PolarHBondContact O-N 2.89Å |
| 1004 | R | 97.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 25.6 Ų | 25.6 | 21% | 0.208 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 173 | -168.9 | -165.5 | 70.6 | 71.9 | 2 | 112.1 | R1000 E1001 H1002 S1008 | R1000-R1004 WeakPolarHBondContact O-CB 3.37Å; R1000-R1004 PolarHBondContact O-N 2.92Å; E1001-R1004 PolarHBondContact O-N 2.88Å; E1001-R1004 IonicContact OE1-CZ 3.44Å; E1001-R1004 IonicContact OE1-NE 2.77Å; E1001-R1004 IonicContact OE1-NH2 3.72Å; E1001-R1004 PolarHBondContact OE1-NH2 3.19Å; E1001-R1004 IonicContact OE2-CZ 3.56Å; E1001-R1004 IonicContact OE2-NE 3.11Å; E1001-R1004 PolarHBondContact OE2-NE 3.33Å; E1001-R1004 IonicContact OE2-NH2 2.76Å; E1001-R1004 PolarHBondContact OE2-NH2 3.41Å; H1002-R1004 VanDerWaalsContact C-N 3.33Å; H1002-R1004 PolarHBondContact O-N 2.91Å; R1004-S1008 WeakPolarHBondContact O-CB 3.36Å; R1004-S1008 PolarHBondContact O-N 2.95Å; R1004-S1008 VanDerWaalsContact O-N 3.17Å; R1004-S1008 PolarHBondContact O-OG 3Å |
| 1005 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 175.4 | -70.4 | 170.8 | 0 | 0 | 0 | 111.2 | E1001 H1002 N1003 S1008 L1009 A1025 I1028 V1029 L1320 L1322 | E1001-L1005 HydrophobicContact CG-CD1 4.08Å; E1001-L1005 HydrophobicContact CG-CG 4.47Å; E1001-L1005 WeakPolarHBondContact O-CB 3.38Å; E1001-L1005 WeakPolarHBondContact O-CG 3.21Å; E1001-L1005 PolarHBondContact O-N 3.31Å; H1002-L1005 PolarHBondContact O-N 3.31Å; N1003-L1005 PolarHBondContact O-N 3.34Å; L1005-S1008 PolarHBondContact O-N 3.26Å; L1005-L1009 WeakPolarHBondContact O-CB 3.39Å; L1005-L1009 VanDerWaalsContact O-CG 3.26Å; L1005-L1009 WeakPolarHBondContact O-CG 3.39Å; L1005-L1009 PolarHBondContact O-N 2.86Å; L1005-A1025 HydrophobicContact CB-CB 4.08Å; L1005-I1028 HydrophobicContact CD1-CB 4.15Å; L1005-I1028 HydrophobicContact CD1-CG2 3.78Å; L1005-I1028 HydrophobicContact CD2-CG2 4.19Å; L1005-V1029 HydrophobicContact CD1-CG2 3.68Å; L1005-L1320 HydrophobicContact CD2-CD2 4.18Å; L1005-L1322 HydrophobicContact CD2-CD1 3.92Å; L1005-L1322 HydrophobicContact CD2-CD2 3.97Å; L1005-L1322 HydrophobicContact CD2-CG 4.46Å |
| 1006 | A | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K942 H1002 N1003 S1008 L1009 R1010 I1021 | K942-A1006 HydrophobicContact CG-CB 4.17Å; H1002-A1006 WeakPolarHBondContact O-CB 3.06Å; H1002-A1006 PolarHBondContact O-N 2.96Å; N1003-A1006 PolarHBondContact O-N 3.09Å; A1006-S1008 VanDerWaalsContact C-N 3.33Å; A1006-S1008 PolarHBondContact O-N 2.87Å; A1006-L1009 PolarHBondContact O-N 3.42Å; A1006-R1010 VanDerWaalsContact O-CB 3.29Å; A1006-R1010 WeakPolarHBondContact O-CB 3.28Å; A1006-R1010 PolarHBondContact O-N 2.98Å; A1006-I1021 HydrophobicContact CB-CG2 3.64Å; A1006-I1021 WeakPolarHBondContact O-CG2 3.36Å |
| 1007 | D | 95.3 | Very high | 94.8 | Very high | 69 Ų | 69 | 32.4 Ų | 32.4 | 37% | 0.369 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 175.8 | -81 | -35.1 | 0 | 0 | 0 | 112.2 | K942 N1003 T1011 | K942-D1007 WeakPolarHBondContact CE-OD1 3.2Å; K942-D1007 VanDerWaalsContact CE-OD2 3.32Å; K942-D1007 WeakPolarHBondContact CE-OD2 3.15Å; K942-D1007 VanDerWaalsContact NZ-CG 3.31Å; K942-D1007 IonicContact NZ-OD1 2.76Å; K942-D1007 PolarHBondContact NZ-OD1 3.31Å; K942-D1007 IonicContact NZ-OD2 2.7Å; K942-D1007 PolarHBondContact NZ-OD2 3.38Å; K942-D1007 VanDerWaalsContact NZ-OD2 3.11Å; N1003-D1007 PolarHBondContact O-N 2.89Å; D1007-T1011 WeakPolarHBondContact O-CB 3.28Å; D1007-T1011 PolarHBondContact O-N 2.92Å; D1007-T1011 PolarHBondContact O-OG1 2.97Å |
| 1008 | S | 96.4 | Very high | 94.2 | Very high | 37 Ų | 37 | 32.4 Ų | 32.4 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -68.7 | -45 | -179.4 | -58.9 | 0 | 0 | 0 | 0 | 112 | R1004 L1005 A1006 T1011 L1012 | R1004-S1008 WeakPolarHBondContact O-CB 3.36Å; R1004-S1008 PolarHBondContact O-N 2.95Å; R1004-S1008 VanDerWaalsContact O-N 3.17Å; R1004-S1008 PolarHBondContact O-OG 3Å; L1005-S1008 PolarHBondContact O-N 3.26Å; A1006-S1008 VanDerWaalsContact C-N 3.33Å; A1006-S1008 PolarHBondContact O-N 2.87Å; S1008-T1011 WeakPolarHBondContact O-CB 3.28Å; S1008-T1011 PolarHBondContact O-N 3.34Å; S1008-L1012 WeakPolarHBondContact O-CG 3.49Å; S1008-L1012 PolarHBondContact O-N 3.47Å |
| 1009 | L | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 177.6 | -73.3 | 172.5 | 0 | 0 | 0 | 111.6 | L1005 A1006 T1011 L1012 N1013 W1016 E1024 A1025 I1028 W1325 | L1005-L1009 WeakPolarHBondContact O-CB 3.39Å; L1005-L1009 VanDerWaalsContact O-CG 3.26Å; L1005-L1009 WeakPolarHBondContact O-CG 3.39Å; L1005-L1009 PolarHBondContact O-N 2.86Å; A1006-L1009 PolarHBondContact O-N 3.42Å; L1009-T1011 VanDerWaalsContact C-N 3.35Å; L1009-L1012 PolarHBondContact O-N 3.43Å; L1009-N1013 WeakPolarHBondContact O-CA 3.21Å; L1009-N1013 WeakPolarHBondContact O-CB 3.45Å; L1009-N1013 PolarHBondContact O-N 2.94Å; L1009-W1016 HydrophobicContact CB-CZ3 4.28Å; L1009-W1016 HydrophobicContact CD1-CZ3 4.43Å; L1009-W1016 HydrophobicContact CD2-CH2 4.48Å; L1009-W1016 HydrophobicContact CD2-CZ3 4.04Å; L1009-W1016 HydrophobicContact CG-CZ3 4.49Å; L1009-E1024 HydrophobicContact CD1-CB 3.97Å; L1009-A1025 HydrophobicContact CD1-CB 4.22Å; L1009-I1028 HydrophobicContact CD1-CD1 4.06Å; L1009-I1028 HydrophobicContact CD2-CD1 4.4Å; L1009-W1325 HydrophobicContact CD2-CB 3.77Å; L1009-W1325 HydrophobicContact CD2-CG 4.13Å |
| 1010 | R | 93.6 | Very high | 93.6 | Very high | 85 Ų | 85 | 38.7 Ų | 38.7 | 32% | 0.321 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 174 | -172.8 | 169.3 | 179.7 | 90.5 | -12.2 | 111.9 | D939 A1006 N1013 P1014 I1021 | D939-R1010 PolarHBondContact O-NH1 3.15Å; A1006-R1010 VanDerWaalsContact O-CB 3.29Å; A1006-R1010 WeakPolarHBondContact O-CB 3.28Å; A1006-R1010 PolarHBondContact O-N 2.98Å; R1010-N1013 CarbonylContact O-C 3.57Å; R1010-N1013 PolarHBondContact O-N 3.42Å; R1010-P1014 VanDerWaalsContact O-CA 3.31Å; R1010-P1014 WeakPolarHBondContact O-CA 3.36Å; R1010-P1014 VanDerWaalsContact O-N 3.11Å; R1010-I1021 HydrophobicContact CB-CD1 3.69Å; R1010-I1021 HydrophobicContact CG-CD1 3.8Å |
| 1011 | T | 93.3 | Very high | 93.5 | Very high | 113 Ų | 113 | 38 Ų | 38 | 69% | 0.693 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -62.9 | -42.2 | 176.2 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | D1007 S1008 L1009 | D1007-T1011 WeakPolarHBondContact O-CB 3.28Å; D1007-T1011 PolarHBondContact O-N 2.92Å; D1007-T1011 PolarHBondContact O-OG1 2.97Å; S1008-T1011 WeakPolarHBondContact O-CB 3.28Å; S1008-T1011 PolarHBondContact O-N 3.34Å; L1009-T1011 VanDerWaalsContact C-N 3.35Å |
| 1012 | L | 93.1 | Very high | 93.5 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 27% | 0.272 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -72.3 | -36.1 | 178.3 | -72.8 | 168.6 | 0 | 0 | 0 | 113 | S1008 L1009 L1322 | S1008-L1012 WeakPolarHBondContact O-CG 3.49Å; S1008-L1012 PolarHBondContact O-N 3.47Å; L1009-L1012 PolarHBondContact O-N 3.43Å; L1012-L1322 HydrophobicContact CD1-CB 3.53Å; L1012-L1322 VanDerWaalsContact CD1-O 3.31Å; L1012-L1322 WeakPolarHBondContact CD1-O 3.43Å |
| 1013 | N | 93 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -127.5 | 70.8 | -176.1 | -60 | -56.9 | 0 | 0 | 0 | 111.8 | L1009 R1010 H1015 W1016 W1325 K1326 E1327 | L1009-N1013 WeakPolarHBondContact O-CA 3.21Å; L1009-N1013 WeakPolarHBondContact O-CB 3.45Å; L1009-N1013 PolarHBondContact O-N 2.94Å; R1010-N1013 CarbonylContact O-C 3.57Å; R1010-N1013 PolarHBondContact O-N 3.42Å; N1013-H1015 PolarHBondContact O-N 3.09Å; N1013-W1016 HydrophobicContact CB-CB 4.37Å; N1013-W1016 HydrophobicContact CB-CD2 3.46Å; N1013-W1016 VanDerWaalsContact CB-CD2 3.46Å; N1013-W1016 HydrophobicContact CB-CE3 3.97Å; N1013-W1016 HydrophobicContact CB-CG 3.63Å; N1013-W1016 HydrophobicContact CB-CZ2 4.17Å; N1013-W1016 VanDerWaalsContact ND2-CH2 3.26Å; N1013-W1016 WeakPolarHBondContact ND2-CH2 3.31Å; N1013-W1016 VanDerWaalsContact ND2-CZ2 3.25Å; N1013-W1016 WeakPolarHBondContact ND2-CZ2 3.47Å; N1013-W1016 PolarHBondContact O-N 3.46Å; N1013-W1325 PolarHBondContact ND2-O 3.26Å; N1013-K1326 WeakPolarHBondContact OD1-CA 3.26Å; N1013-E1327 PolarHBondContact OD1-N 3.22Å | ||
| 1014 | P | 88.1 | Confident | 93.4 | Very high | 86 Ų | 86 | 38.8 Ų | 38.8 | 56% | 0.558 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -6.2 | -176.7 | -22.3 | 33.7 | 0 | 0 | 0 | 115.2 | R1010 | R1010-P1014 VanDerWaalsContact O-CA 3.31Å; R1010-P1014 WeakPolarHBondContact O-CA 3.36Å; R1010-P1014 VanDerWaalsContact O-N 3.11Å |
| 1015 | H | 86.2 | Confident | 93.5 | Very high | 85 Ų | 85 | 36.2 Ų | 36.2 | 39% | 0.394 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -9.5 | 178.8 | 65 | -81 | 0 | 0 | 0 | 113 | N1013 E1327 | N1013-H1015 PolarHBondContact O-N 3.09Å; H1015-E1327 PolarHBondContact CE1-O 2.88Å; H1015-E1327 IonicContact NE2-OE2 3.89Å |
| 1016 | W | 89.7 | Confident | 93.5 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -75.2 | 139.9 | 175.3 | -70.4 | 5.2 | 0 | 0 | 0 | 110.6 | L1009 N1013 R1020 I1021 E1024 E1327 | L1009-W1016 HydrophobicContact CB-CZ3 4.28Å; L1009-W1016 HydrophobicContact CD1-CZ3 4.43Å; L1009-W1016 HydrophobicContact CD2-CH2 4.48Å; L1009-W1016 HydrophobicContact CD2-CZ3 4.04Å; L1009-W1016 HydrophobicContact CG-CZ3 4.49Å; N1013-W1016 HydrophobicContact CB-CB 4.37Å; N1013-W1016 HydrophobicContact CB-CD2 3.46Å; N1013-W1016 VanDerWaalsContact CB-CD2 3.46Å; N1013-W1016 HydrophobicContact CB-CE3 3.97Å; N1013-W1016 HydrophobicContact CB-CG 3.63Å; N1013-W1016 HydrophobicContact CB-CZ2 4.17Å; N1013-W1016 VanDerWaalsContact ND2-CH2 3.26Å; N1013-W1016 WeakPolarHBondContact ND2-CH2 3.31Å; N1013-W1016 VanDerWaalsContact ND2-CZ2 3.25Å; N1013-W1016 WeakPolarHBondContact ND2-CZ2 3.47Å; N1013-W1016 PolarHBondContact O-N 3.46Å; W1016-R1020 HydrophobicContact CB-CB 4.31Å; W1016-R1020 HydrophobicContact CB-CG 4.31Å; W1016-R1020 HydrophobicContact CD2-CG 4.04Å; W1016-R1020 HydrophobicContact CE3-CG 4.2Å; W1016-R1020 HydrophobicContact CG-CG 4.11Å; W1016-R1020 VanDerWaalsContact NE1-NH1 3.2Å; W1016-I1021 HydrophobicContact CB-CD1 4.31Å; W1016-I1021 HydrophobicContact CB-CG1 3.9Å; W1016-I1021 HydrophobicContact CE3-CG1 4.22Å; W1016-E1024 HydrophobicContact CE3-CG 4.3Å; W1016-E1024 HydrophobicContact CH2-CB 4.43Å; W1016-E1024 HydrophobicContact CH2-CG 3.91Å; W1016-E1024 HydrophobicContact CZ3-CB 3.84Å; W1016-E1024 HydrophobicContact CZ3-CG 3.62Å; W1016-E1327 HydrophobicContact CZ2-CG 4.1Å; W1016-E1327 PolarHBondContact NE1-OE2 3.31Å |
| 1017 | S | 88.7 | Confident | 93.6 | Very high | 54 Ų | 54 | 38.7 Ų | 38.7 | 38% | 0.378 | 21% | 0.206 | S | C | . | . | trans | -69.7 | 159.2 | 167.4 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | D1019 R1020 I1021 | S1017-D1019 VanDerWaalsContact C-N 3.27Å; S1017-D1019 PolarHBondContact O-N 2.84Å; S1017-R1020 WeakPolarHBondContact O-CB 3.5Å; S1017-R1020 PolarHBondContact O-N 3.23Å; S1017-R1020 PolarHBondContact OG-N 2.86Å; S1017-I1021 WeakPolarHBondContact O-CG1 3.3Å; S1017-I1021 PolarHBondContact O-N 3.27Å | ||
| 1018 | G | 85.3 | Confident | 93.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.2 | -39.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D939 G941 R1020 I1021 F1022 | D939-G1018 WeakPolarHBondContact O-CA 3.35Å; D939-G1018 PolarHBondContact O-N 3Å; D939-G1018 WeakPolarHBondContact OD1-CA 3.39Å; D939-G1018 PolarHBondContact OD1-N 3.28Å; D939-G1018 PolarHBondContact OD2-N 3.45Å; D939-G1018 VanDerWaalsContact OD2-N 3.17Å; G941-G1018 WeakPolarHBondContact CA-O 3.4Å; G1018-R1020 VanDerWaalsContact C-N 3.3Å; G1018-R1020 PolarHBondContact O-N 2.88Å; G1018-I1021 PolarHBondContact O-N 2.87Å; G1018-F1022 VanDerWaalsContact O-CB 3.29Å; G1018-F1022 WeakPolarHBondContact O-CB 3.41Å; G1018-F1022 PolarHBondContact O-N 2.91Å |
| 1019 | D | 89.8 | Confident | 93.8 | Very high | 89 Ų | 89 | 33.7 Ų | 33.7 | 48% | 0.476 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.5 | -39.2 | 173.7 | -82.9 | -20.9 | 0 | 0 | 0 | 112.9 | R934 S1017 N1023 | R934-D1019 IonicContact CZ-OD1 3.92Å; R934-D1019 IonicContact NH1-OD1 3.86Å; R934-D1019 IonicContact NH2-OD1 3.72Å; R934-D1019 PolarHBondContact NH2-OD1 3.15Å; S1017-D1019 VanDerWaalsContact C-N 3.27Å; S1017-D1019 PolarHBondContact O-N 2.84Å; D1019-N1023 PolarHBondContact O-N 3.46Å; D1019-N1023 VanDerWaalsContact O-N 3.11Å; D1019-N1023 PolarHBondContact O-ND2 2.91Å |
| 1020 | R | 93.6 | Very high | 93.9 | Very high | 52 Ų | 52 | 33.9 Ų | 33.9 | 20% | 0.196 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.6 | -43.4 | 177.1 | -177.1 | 172.6 | -175.7 | -177.7 | 2.5 | 111.1 | W1016 S1017 G1018 F1022 N1023 E1024 E1327 | W1016-R1020 HydrophobicContact CB-CB 4.31Å; W1016-R1020 HydrophobicContact CB-CG 4.31Å; W1016-R1020 HydrophobicContact CD2-CG 4.04Å; W1016-R1020 HydrophobicContact CE3-CG 4.2Å; W1016-R1020 HydrophobicContact CG-CG 4.11Å; W1016-R1020 VanDerWaalsContact NE1-NH1 3.2Å; S1017-R1020 WeakPolarHBondContact O-CB 3.5Å; S1017-R1020 PolarHBondContact O-N 3.23Å; S1017-R1020 PolarHBondContact OG-N 2.86Å; G1018-R1020 VanDerWaalsContact C-N 3.3Å; G1018-R1020 PolarHBondContact O-N 2.88Å; R1020-F1022 VanDerWaalsContact C-N 3.33Å; R1020-F1022 PolarHBondContact O-N 3.02Å; R1020-N1023 PolarHBondContact O-N 3.37Å; R1020-E1024 HydrophobicContact CG-CG 4.32Å; R1020-E1024 WeakPolarHBondContact O-CB 3.32Å; R1020-E1024 WeakPolarHBondContact O-CG 3.46Å; R1020-E1024 PolarHBondContact O-N 3.28Å; R1020-E1327 IonicContact CZ-OE1 3.92Å; R1020-E1327 IonicContact CZ-OE2 2.78Å; R1020-E1327 VanDerWaalsContact CZ-OE2 3.27Å; R1020-E1327 IonicContact NH1-OE2 2.99Å; R1020-E1327 PolarHBondContact NH1-OE2 2.68Å; R1020-E1327 IonicContact NH2-OE1 3.39Å; R1020-E1327 PolarHBondContact NH2-OE1 2.86Å; R1020-E1327 IonicContact NH2-OE2 3.57Å; R1020-E1327 PolarHBondContact NH2-OE2 2.94Å |
| 1021 | I | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 175.9 | -68.7 | 159.7 | 0 | 0 | 0 | 110.1 | E940 A1006 R1010 W1016 S1017 G1018 N1023 E1024 A1025 | E940-I1021 WeakPolarHBondContact O-CG2 3.48Å; A1006-I1021 HydrophobicContact CB-CG2 3.64Å; A1006-I1021 WeakPolarHBondContact O-CG2 3.36Å; R1010-I1021 HydrophobicContact CB-CD1 3.69Å; R1010-I1021 HydrophobicContact CG-CD1 3.8Å; W1016-I1021 HydrophobicContact CB-CD1 4.31Å; W1016-I1021 HydrophobicContact CB-CG1 3.9Å; W1016-I1021 HydrophobicContact CE3-CG1 4.22Å; S1017-I1021 WeakPolarHBondContact O-CG1 3.3Å; S1017-I1021 PolarHBondContact O-N 3.27Å; G1018-I1021 PolarHBondContact O-N 2.87Å; I1021-N1023 PolarHBondContact O-N 3.1Å; I1021-E1024 PolarHBondContact O-N 3.15Å; I1021-A1025 VanDerWaalsContact O-CB 3.27Å; I1021-A1025 WeakPolarHBondContact O-CB 3.5Å; I1021-A1025 PolarHBondContact O-N 3.2Å |
| 1022 | F | 96.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.3 | -50.9 | 176.4 | 170.4 | -97.8 | 0 | 0 | 0 | 111.5 | Y923 R934 G941 M943 H1002 G1018 R1020 A1025 R1026 | Y923-F1022 AromaticContact CD1-CE2 3.83Å; Y923-F1022 HydrophobicContact CD1-CE2 3.83Å; Y923-F1022 AromaticContact CD1-CZ 3.9Å; Y923-F1022 HydrophobicContact CD1-CZ 3.9Å; Y923-F1022 HydrophobicContact CE1-CE2 4.02Å; Y923-F1022 HydrophobicContact CE1-CZ 4.4Å; R934-F1022 HydrophobicContact CG-CD2 4.09Å; R934-F1022 HydrophobicContact CG-CE2 3.66Å; R934-F1022 HydrophobicContact CG-CZ 4.09Å; G941-F1022 WeakPolarHBondContact O-CA 3.36Å; M943-F1022 HydrophobicContact SD-CD2 4.43Å; M943-F1022 HydrophobicContact SD-CE2 3.7Å; H1002-F1022 AromaticContact CE1-CD2 3.5Å; H1002-F1022 AromaticContact CE1-CE2 3.87Å; H1002-F1022 AromaticContact NE2-CD2 3.71Å; G1018-F1022 VanDerWaalsContact O-CB 3.29Å; G1018-F1022 WeakPolarHBondContact O-CB 3.41Å; G1018-F1022 PolarHBondContact O-N 2.91Å; R1020-F1022 VanDerWaalsContact C-N 3.33Å; R1020-F1022 PolarHBondContact O-N 3.02Å; F1022-A1025 PolarHBondContact O-N 3.46Å; F1022-R1026 VanDerWaalsContact O-CB 3.23Å; F1022-R1026 WeakPolarHBondContact O-CB 3.44Å; F1022-R1026 PolarHBondContact O-N 3.43Å |
| 1023 | N | 97.5 | Very high | 94.6 | Very high | 19 Ų | 19 | 22.3 Ų | 22.3 | 10% | 0.102 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.7 | -35.8 | -177.5 | -79.7 | -68.4 | 0 | 0 | 0 | 113.2 | Y690 D1019 R1020 I1021 K1027 | Y690-N1023 HydrophobicContact CD1-CB 3.71Å; Y690-N1023 HydrophobicContact CD2-CB 4.06Å; Y690-N1023 HydrophobicContact CE1-CB 3.71Å; Y690-N1023 HydrophobicContact CE2-CB 4.05Å; Y690-N1023 HydrophobicContact CG-CB 3.88Å; D1019-N1023 PolarHBondContact O-N 3.46Å; D1019-N1023 VanDerWaalsContact O-N 3.11Å; D1019-N1023 PolarHBondContact O-ND2 2.91Å; R1020-N1023 PolarHBondContact O-N 3.37Å; I1021-N1023 PolarHBondContact O-N 3.1Å; N1023-K1027 WeakPolarHBondContact O-CB 3.29Å; N1023-K1027 PolarHBondContact O-N 3.35Å |
| 1024 | E | 97.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.2 | -41.9 | 174.6 | -68.6 | -68.2 | 162.8 | 0 | 0 | 111.6 | R689 Y690 L1009 W1016 R1020 I1021 K1027 I1028 | R689-E1024 IonicContact CZ-OE1 3.51Å; R689-E1024 IonicContact NE-OE1 2.79Å; R689-E1024 PolarHBondContact NE-OE1 3.46Å; R689-E1024 IonicContact NH2-OE1 3.68Å; R689-E1024 PolarHBondContact NH2-OE1 2.99Å; Y690-E1024 HydrophobicContact CE1-CG 4.28Å; Y690-E1024 WeakPolarHBondContact CE1-OE1 3.35Å; Y690-E1024 PolarHBondContact OH-OE1 3.33Å; L1009-E1024 HydrophobicContact CD1-CB 3.97Å; W1016-E1024 HydrophobicContact CE3-CG 4.3Å; W1016-E1024 HydrophobicContact CH2-CB 4.43Å; W1016-E1024 HydrophobicContact CH2-CG 3.91Å; W1016-E1024 HydrophobicContact CZ3-CB 3.84Å; W1016-E1024 HydrophobicContact CZ3-CG 3.62Å; R1020-E1024 HydrophobicContact CG-CG 4.32Å; R1020-E1024 WeakPolarHBondContact O-CB 3.32Å; R1020-E1024 WeakPolarHBondContact O-CG 3.46Å; R1020-E1024 PolarHBondContact O-N 3.28Å; I1021-E1024 PolarHBondContact O-N 3.15Å; E1024-K1027 PolarHBondContact O-N 2.91Å; E1024-I1028 WeakPolarHBondContact O-CG1 3.4Å; E1024-I1028 PolarHBondContact O-N 3.39Å |
| 1025 | A | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.9 | -47.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1005 L1009 I1021 F1022 K1027 I1028 V1029 | L1005-A1025 HydrophobicContact CB-CB 4.08Å; L1009-A1025 HydrophobicContact CD1-CB 4.22Å; I1021-A1025 VanDerWaalsContact O-CB 3.27Å; I1021-A1025 WeakPolarHBondContact O-CB 3.5Å; I1021-A1025 PolarHBondContact O-N 3.2Å; F1022-A1025 PolarHBondContact O-N 3.46Å; A1025-K1027 VanDerWaalsContact C-N 3.31Å; A1025-K1027 PolarHBondContact O-N 2.92Å; A1025-I1028 PolarHBondContact O-N 3.45Å; A1025-V1029 WeakPolarHBondContact O-CG2 3.36Å; A1025-V1029 PolarHBondContact O-N 2.82Å |
| 1026 | R | 98.4 | Very high | 95.9 | Very high | 10 Ų | 10 | 14.2 Ų | 14.2 | 4% | 0.038 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -55.6 | -44.4 | 173.3 | 170.7 | 169.6 | 178.2 | -126.2 | 0.7 | 112.3 | R691 S692 Y923 F1022 V1029 G1030 | R691-R1026 PolarHBondContact O-NH1 2.04Å; S692-R1026 PolarHBondContact O-NH2 3.01Å; Y923-R1026 HydrophobicContact CD1-CG 4.47Å; Y923-R1026 HydrophobicContact CD2-CB 4.36Å; Y923-R1026 HydrophobicContact CD2-CG 3.65Å; Y923-R1026 HydrophobicContact CE1-CB 4.09Å; Y923-R1026 HydrophobicContact CE1-CG 4.39Å; Y923-R1026 HydrophobicContact CE2-CB 3.89Å; Y923-R1026 HydrophobicContact CE2-CG 3.56Å; Y923-R1026 HydrophobicContact CG-CG 4.15Å; Y923-R1026 WeakPolarHBondContact OH-CA 3.43Å; F1022-R1026 VanDerWaalsContact O-CB 3.23Å; F1022-R1026 WeakPolarHBondContact O-CB 3.44Å; F1022-R1026 PolarHBondContact O-N 3.43Å; R1026-V1029 PolarHBondContact O-N 3.24Å; R1026-G1030 PolarHBondContact O-N 3.21Å |
| 1027 | K | 98.2 | Very high | 96.4 | Very high | 42 Ų | 42 | 13.9 Ų | 13.9 | 18% | 0.183 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.2 | -41.6 | 178.7 | -175.4 | 179.5 | 175.9 | 176.8 | 0 | 112.3 | Y690 N1023 E1024 A1025 A1031 I1267 F1268 | Y690-K1027 HydrophobicContact CD1-CD 4.42Å; Y690-K1027 HydrophobicContact CE1-CD 4.47Å; N1023-K1027 WeakPolarHBondContact O-CB 3.29Å; N1023-K1027 PolarHBondContact O-N 3.35Å; E1024-K1027 PolarHBondContact O-N 2.91Å; A1025-K1027 VanDerWaalsContact C-N 3.31Å; A1025-K1027 PolarHBondContact O-N 2.92Å; K1027-A1031 WeakPolarHBondContact O-CB 3.47Å; K1027-A1031 PolarHBondContact O-N 3.08Å; K1027-A1031 VanDerWaalsContact O-N 3.07Å; K1027-I1267 WeakPolarHBondContact CE-O 3.41Å; K1027-I1267 PolarHBondContact NZ-O 3.43Å; K1027-F1268 HydrophobicContact CD-CE1 4.3Å; K1027-F1268 HydrophobicContact CD-CZ 4.25Å; K1027-F1268 HydrophobicContact CG-CE1 4.14Å; K1027-F1268 HydrophobicContact CG-CE2 4.44Å; K1027-F1268 HydrophobicContact CG-CZ 3.69Å |
| 1028 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 174.9 | -66.6 | 168.1 | 0 | 0 | 0 | 110.6 | L1005 L1009 E1024 A1025 G1030 A1031 S1032 L1320 L1322 W1325 | L1005-I1028 HydrophobicContact CD1-CB 4.15Å; L1005-I1028 HydrophobicContact CD1-CG2 3.78Å; L1005-I1028 HydrophobicContact CD2-CG2 4.19Å; L1009-I1028 HydrophobicContact CD1-CD1 4.06Å; L1009-I1028 HydrophobicContact CD2-CD1 4.4Å; E1024-I1028 WeakPolarHBondContact O-CG1 3.4Å; E1024-I1028 PolarHBondContact O-N 3.39Å; A1025-I1028 PolarHBondContact O-N 3.45Å; I1028-G1030 PolarHBondContact O-N 3.41Å; I1028-A1031 PolarHBondContact O-N 3.08Å; I1028-S1032 PolarHBondContact O-N 3.22Å; I1028-S1032 PolarHBondContact O-OG 2.66Å; I1028-L1320 HydrophobicContact CG2-CD2 3.78Å; I1028-L1322 HydrophobicContact CD1-CD2 3.99Å; I1028-W1325 HydrophobicContact CD1-CD2 4.2Å; I1028-W1325 HydrophobicContact CD1-CG 4.42Å; I1028-W1325 HydrophobicContact CD1-CZ2 4.14Å; I1028-W1325 HydrophobicContact CG1-CZ2 3.9Å |
| 1029 | V | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.8 | -50 | 178.2 | 164 | 0 | 0 | 0 | 0 | 111.5 | A919 Y923 W998 E1001 L1005 A1025 R1026 A1031 S1032 M1033 | A919-V1029 HydrophobicContact CB-CG1 3.78Å; Y923-V1029 HydrophobicContact CE2-CB 4.4Å; Y923-V1029 HydrophobicContact CE2-CG1 4.05Å; Y923-V1029 WeakPolarHBondContact OH-CB 3.02Å; Y923-V1029 WeakPolarHBondContact OH-CG2 3.45Å; W998-V1029 HydrophobicContact CE3-CB 4.48Å; W998-V1029 HydrophobicContact CE3-CG1 3.62Å; W998-V1029 HydrophobicContact CE3-CG2 4.36Å; W998-V1029 HydrophobicContact CZ3-CB 4.38Å; W998-V1029 HydrophobicContact CZ3-CG1 3.8Å; W998-V1029 HydrophobicContact CZ3-CG2 4.41Å; E1001-V1029 HydrophobicContact CG-CG2 4.42Å; L1005-V1029 HydrophobicContact CD1-CG2 3.68Å; A1025-V1029 WeakPolarHBondContact O-CG2 3.36Å; A1025-V1029 PolarHBondContact O-N 2.82Å; R1026-V1029 PolarHBondContact O-N 3.24Å; V1029-A1031 VanDerWaalsContact C-N 3.31Å; V1029-A1031 PolarHBondContact O-N 3.39Å; V1029-S1032 WeakPolarHBondContact O-CB 3.23Å; V1029-S1032 PolarHBondContact O-N 3.49Å; V1029-M1033 HydrophobicContact CG1-SD 4.26Å; V1029-M1033 WeakPolarHBondContact O-CG 3.07Å; V1029-M1033 PolarHBondContact O-N 3.17Å |
| 1030 | G | 98.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 14.7 Ų | 14.7 | 5% | 0.052 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.4 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1026 I1028 M1033 Q1034 | R1026-G1030 PolarHBondContact O-N 3.21Å; I1028-G1030 PolarHBondContact O-N 3.41Å; G1030-M1033 PolarHBondContact O-N 3.48Å; G1030-Q1034 VanDerWaalsContact O-CG 3.3Å; G1030-Q1034 WeakPolarHBondContact O-CG 3.43Å; G1030-Q1034 PolarHBondContact O-N 2.95Å |
| 1031 | A | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 12.2 Ų | 12.2 | 3% | 0.025 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -65.3 | -39.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1027 I1028 V1029 Q1034 A1035 Y1262 F1268 I1276 | K1027-A1031 WeakPolarHBondContact O-CB 3.47Å; K1027-A1031 PolarHBondContact O-N 3.08Å; K1027-A1031 VanDerWaalsContact O-N 3.07Å; I1028-A1031 PolarHBondContact O-N 3.08Å; V1029-A1031 VanDerWaalsContact C-N 3.31Å; V1029-A1031 PolarHBondContact O-N 3.39Å; A1031-Q1034 PolarHBondContact O-N 3.49Å; A1031-A1035 WeakPolarHBondContact O-CB 3.26Å; A1031-A1035 PolarHBondContact O-N 3.44Å; A1031-Y1262 HydrophobicContact CB-CG 4.49Å; A1031-F1268 HydrophobicContact CB-CE2 3.5Å; A1031-F1268 VanDerWaalsContact CB-CE2 3.5Å; A1031-F1268 HydrophobicContact CB-CZ 3.58Å; A1031-I1276 HydrophobicContact CB-CD1 3.96Å; A1031-I1276 HydrophobicContact CB-CG2 4.19Å |
| 1032 | S | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 12.2 Ų | 12.2 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 172.8 | -82.1 | 0 | 0 | 0 | 0 | 111.5 | I1028 V1029 A1035 I1036 G1280 | I1028-S1032 PolarHBondContact O-N 3.22Å; I1028-S1032 PolarHBondContact O-OG 2.66Å; V1029-S1032 WeakPolarHBondContact O-CB 3.23Å; V1029-S1032 PolarHBondContact O-N 3.49Å; S1032-A1035 PolarHBondContact O-N 3.26Å; S1032-I1036 WeakPolarHBondContact O-CB 3.31Å; S1032-I1036 WeakPolarHBondContact O-CD1 3.4Å; S1032-I1036 WeakPolarHBondContact O-CG1 3.05Å; S1032-I1036 PolarHBondContact O-N 3.13Å; S1032-G1280 WeakPolarHBondContact CB-O 3.49Å; S1032-G1280 PolarHBondContact OG-O 3.19Å |
| 1033 | M | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.4 | -41.3 | 176.5 | -70.8 | 179.2 | 57.3 | 0 | 0 | 112.4 | W830 F833 D837 I917 A919 W998 V1029 G1030 T1037 | W830-M1033 HydrophobicContact CH2-CB 4.44Å; W830-M1033 HydrophobicContact CH2-CG 3.99Å; W830-M1033 HydrophobicContact CZ2-CB 4.42Å; W830-M1033 HydrophobicContact CZ2-CG 4.43Å; F833-M1033 HydrophobicContact CD1-CE 4.17Å; F833-M1033 HydrophobicContact CE1-CE 3.64Å; F833-M1033 HydrophobicContact CE1-SD 4.11Å; D837-M1033 HydrophobicContact CB-CE 4.46Å; D837-M1033 VanDerWaalsContact OD2-CE 3.27Å; D837-M1033 WeakPolarHBondContact OD2-CE 3.47Å; I917-M1033 HydrophobicContact CG2-CB 3.92Å; A919-M1033 HydrophobicContact CB-CE 4.31Å; A919-M1033 HydrophobicContact CB-SD 3.46Å; A919-M1033 WeakPolarHBondContact CB-SD 3.29Å; W998-M1033 HydrophobicContact CD2-SD 4.48Å; W998-M1033 HydrophobicContact CE3-CG 4.43Å; W998-M1033 HydrophobicContact CH2-CG 3.59Å; W998-M1033 HydrophobicContact CZ2-CG 3.79Å; W998-M1033 HydrophobicContact CZ3-CG 3.96Å; V1029-M1033 HydrophobicContact CG1-SD 4.26Å; V1029-M1033 WeakPolarHBondContact O-CG 3.07Å; V1029-M1033 PolarHBondContact O-N 3.17Å; G1030-M1033 PolarHBondContact O-N 3.48Å; M1033-T1037 VanDerWaalsContact O-CB 3.28Å; M1033-T1037 WeakPolarHBondContact O-CB 3.42Å; M1033-T1037 PolarHBondContact O-N 3.25Å; M1033-T1037 PolarHBondContact O-OG1 3Å |
| 1034 | Q | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.3 | -47.7 | 173.3 | -72.4 | 179.2 | 1.5 | 0 | 0 | 111.7 | I917 G1030 A1031 T1037 Y1038 D1258 W1261 Y1262 | I917-Q1034 HydrophobicContact CB-CG 3.83Å; I917-Q1034 HydrophobicContact CG2-CG 3.85Å; I917-Q1034 WeakPolarHBondContact O-CG 3.14Å; I917-Q1034 PolarHBondContact O-NE2 3.1Å; G1030-Q1034 VanDerWaalsContact O-CG 3.3Å; G1030-Q1034 WeakPolarHBondContact O-CG 3.43Å; G1030-Q1034 PolarHBondContact O-N 2.95Å; A1031-Q1034 PolarHBondContact O-N 3.49Å; Q1034-T1037 PolarHBondContact O-N 3.05Å; Q1034-Y1038 WeakPolarHBondContact O-CD2 3.46Å; Q1034-Y1038 PolarHBondContact O-N 2.79Å; Q1034-D1258 PolarHBondContact NE2-OD2 3.09Å; Q1034-W1261 HydrophobicContact CB-CH2 4.11Å; Q1034-W1261 HydrophobicContact CB-CZ3 3.86Å; Q1034-W1261 HydrophobicContact CG-CE3 4.22Å; Q1034-W1261 HydrophobicContact CG-CZ3 3.8Å; Q1034-Y1262 HydrophobicContact CB-CD1 3.6Å; Q1034-Y1262 HydrophobicContact CB-CE1 4.09Å; Q1034-Y1262 HydrophobicContact CB-CG 4.38Å |
| 1035 | A | 98 | Very high | 98 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.3 | -46.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1031 S1032 T1037 Q1039 Y1262 I1276 | A1031-A1035 WeakPolarHBondContact O-CB 3.26Å; A1031-A1035 PolarHBondContact O-N 3.44Å; S1032-A1035 PolarHBondContact O-N 3.26Å; A1035-T1037 VanDerWaalsContact C-N 3.28Å; A1035-T1037 PolarHBondContact O-N 2.04Å; A1035-Q1039 VanDerWaalsContact O-CB 3.24Å; A1035-Q1039 WeakPolarHBondContact O-CB 3.48Å; A1035-Q1039 WeakPolarHBondContact O-CG 3.27Å; A1035-Q1039 PolarHBondContact O-N 2.75Å; A1035-Y1262 HydrophobicContact CB-CE1 4.46Å; A1035-Y1262 HydrophobicContact CB-CE2 4.03Å; A1035-I1276 HydrophobicContact CB-CG2 4.11Å |
| 1036 | I | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -56.3 | -45.6 | 175 | -69.5 | 162.5 | 0 | 0 | 0 | 110.2 | W830 W998 S1032 Y1040 W1041 S1281 L1283 I1286 F1302 | W830-I1036 HydrophobicContact CD2-CG2 4.11Å; W830-I1036 HydrophobicContact CH2-CB 4.16Å; W830-I1036 HydrophobicContact CH2-CD1 3.77Å; W830-I1036 HydrophobicContact CH2-CG2 3.88Å; W830-I1036 HydrophobicContact CZ2-CB 3.75Å; W830-I1036 HydrophobicContact CZ2-CD1 4.27Å; W830-I1036 HydrophobicContact CZ2-CG2 3.42Å; W830-I1036 VanDerWaalsContact CZ2-CG2 3.42Å; W830-I1036 HydrophobicContact CZ3-CD1 4.36Å; W830-I1036 HydrophobicContact CZ3-CG2 4.39Å; W998-I1036 HydrophobicContact CH2-CD1 3.97Å; W998-I1036 HydrophobicContact CZ2-CD1 3.95Å; S1032-I1036 WeakPolarHBondContact O-CB 3.31Å; S1032-I1036 WeakPolarHBondContact O-CD1 3.4Å; S1032-I1036 WeakPolarHBondContact O-CG1 3.05Å; S1032-I1036 PolarHBondContact O-N 3.13Å; I1036-Y1040 WeakPolarHBondContact O-CB 3.27Å; I1036-Y1040 PolarHBondContact O-N 2.9Å; I1036-W1041 PolarHBondContact O-N 2.83Å; I1036-W1041 VanDerWaalsContact O-N 3.15Å; I1036-S1281 VanDerWaalsContact CG1-O 3.27Å; I1036-S1281 WeakPolarHBondContact CG1-O 3.09Å; I1036-L1283 HydrophobicContact CD1-CB 4.29Å; I1036-L1283 HydrophobicContact CG2-CB 4.49Å; I1036-I1286 HydrophobicContact CD1-CD1 3.85Å; I1036-F1302 HydrophobicContact CG2-CE2 3.82Å; I1036-F1302 HydrophobicContact CG2-CZ 3.64Å |
| 1037 | T | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.069 | C | C | . | . | I | π-helix | trans | -65.4 | -48.4 | -176 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | W830 L834 I917 M1033 Q1034 A1035 W1041 L1042 F1251 | W830-T1037 PolarHBondContact NE1-OG1 3.4Å; L834-T1037 HydrophobicContact CD1-CG2 4.4Å; L834-T1037 HydrophobicContact CD2-CG2 3.48Å; L834-T1037 VanDerWaalsContact CD2-CG2 3.48Å; I917-T1037 HydrophobicContact CD1-CG2 4.02Å; M1033-T1037 VanDerWaalsContact O-CB 3.28Å; M1033-T1037 WeakPolarHBondContact O-CB 3.42Å; M1033-T1037 PolarHBondContact O-N 3.25Å; M1033-T1037 PolarHBondContact O-OG1 3Å; Q1034-T1037 PolarHBondContact O-N 3.05Å; A1035-T1037 VanDerWaalsContact C-N 3.28Å; A1035-T1037 PolarHBondContact O-N 2.04Å; T1037-W1041 HydrophobicContact CG2-CE3 4.29Å; T1037-W1041 PolarHBondContact O-N 2.89Å; T1037-L1042 HydrophobicContact CG2-CD1 4.32Å; T1037-L1042 HydrophobicContact CG2-CG 4.2Å; T1037-L1042 WeakPolarHBondContact O-CB 3.49Å; T1037-L1042 WeakPolarHBondContact O-CG 3.3Å; T1037-L1042 PolarHBondContact O-N 3.47Å; T1037-F1251 HydrophobicContact CG2-CD1 4.49Å; T1037-F1251 HydrophobicContact CG2-CE1 3.85Å |
| 1038 | Y | 97.7 | Very high | 97.8 | Very high | 17 Ų | 17 | 15.6 Ų | 15.6 | 7% | 0.067 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -85.6 | -28.3 | -173.5 | -78.6 | -110.6 | 0 | 0 | 0 | 114.2 | I917 Q1034 L1042 L1054 F1251 R1255 W1261 | I917-Y1038 HydrophobicContact CD1-CD2 4.42Å; I917-Y1038 HydrophobicContact CD1-CE2 3.69Å; Q1034-Y1038 WeakPolarHBondContact O-CD2 3.46Å; Q1034-Y1038 PolarHBondContact O-N 2.79Å; Y1038-L1042 HydrophobicContact CD1-CD1 3.72Å; Y1038-L1042 HydrophobicContact CD2-CD1 4.01Å; Y1038-L1042 HydrophobicContact CE1-CD1 3.89Å; Y1038-L1042 HydrophobicContact CE2-CD1 4.18Å; Y1038-L1042 HydrophobicContact CG-CD1 3.81Å; Y1038-L1054 HydrophobicContact CD1-CD2 4.47Å; Y1038-L1054 HydrophobicContact CE1-CD1 4.4Å; Y1038-L1054 HydrophobicContact CE1-CD2 4.47Å; Y1038-F1251 HydrophobicContact CE1-CB 4.37Å; Y1038-F1251 AromaticContact CE2-CD1 3.95Å; Y1038-F1251 HydrophobicContact CE2-CD1 3.95Å; Y1038-F1251 AromaticContact CZ-CD1 3.83Å; Y1038-F1251 PolarHBondContact OH-O 3.32Å; Y1038-R1255 HydrophobicContact CE1-CB 3.82Å; Y1038-R1255 HydrophobicContact CE1-CG 4.32Å; Y1038-W1261 AromaticContact CD1-CH2 3.98Å; Y1038-W1261 HydrophobicContact CD1-CH2 3.98Å; Y1038-W1261 HydrophobicContact CD1-CZ2 4.36Å; Y1038-W1261 AromaticContact CD2-CH2 3.38Å; Y1038-W1261 HydrophobicContact CD2-CH2 3.38Å; Y1038-W1261 HydrophobicContact CD2-CZ2 4.39Å; Y1038-W1261 HydrophobicContact CD2-CZ3 4.05Å; Y1038-W1261 HydrophobicContact CE1-CH2 4.03Å; Y1038-W1261 AromaticContact CE2-CH2 3.42Å; Y1038-W1261 HydrophobicContact CE2-CH2 3.42Å; Y1038-W1261 VanDerWaalsContact CE2-CH2 3.42Å; Y1038-W1261 AromaticContact CE2-CZ3 3.66Å; Y1038-W1261 HydrophobicContact CE2-CZ3 3.66Å; Y1038-W1261 AromaticContact CG-CH2 3.64Å; Y1038-W1261 HydrophobicContact CG-CH2 3.64Å; Y1038-W1261 HydrophobicContact CG-CZ2 4.24Å; Y1038-W1261 AromaticContact CZ-CH2 3.74Å; Y1038-W1261 AromaticContact CZ-CZ3 3.98Å |
| 1039 | Q | 95.9 | Very high | 97.6 | Very high | 65 Ų | 65 | 19.3 Ų | 19.3 | 30% | 0.304 | 11% | 0.11 | S | C | . | . | I | π-helix | trans | -86.9 | -30.3 | -179 | -62.6 | -177.7 | 14.3 | 0 | 0 | 113 | A1035 Y1262 K1277 | A1035-Q1039 VanDerWaalsContact O-CB 3.24Å; A1035-Q1039 WeakPolarHBondContact O-CB 3.48Å; A1035-Q1039 WeakPolarHBondContact O-CG 3.27Å; A1035-Q1039 PolarHBondContact O-N 2.75Å; Q1039-Y1262 PolarHBondContact NE2-OH 2.81Å; Q1039-K1277 PolarHBondContact OE1-O 2.98Å |
| 1040 | Y | 96.3 | Very high | 97.4 | Very high | 79 Ų | 79 | 19.2 Ų | 19.2 | 31% | 0.31 | 11% | 0.11 | S | C | . | . | I | π-helix | trans | -122.6 | -51.5 | -172 | -63.6 | -84 | 0 | 0 | 0 | 113.1 | I1036 M1044 S1281 N1300 | I1036-Y1040 WeakPolarHBondContact O-CB 3.27Å; I1036-Y1040 PolarHBondContact O-N 2.9Å; Y1040-M1044 WeakPolarHBondContact O-CG 3.31Å; Y1040-S1281 WeakPolarHBondContact CE2-O 3.42Å; Y1040-N1300 WeakPolarHBondContact CD1-ND2 3.26Å |
| 1041 | W | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -71.7 | -53.3 | -172.2 | -172.4 | 86.3 | 0 | 0 | 0 | 112.7 | L827 W830 G831 L834 I1036 T1037 M1044 I1045 M1077 F1079 F1251 F1302 | L827-W1041 HydrophobicContact CD1-CG 4.35Å; L827-W1041 PolarHBondContact O-NE1 3.24Å; W830-W1041 AromaticContact CD1-CD1 3.33Å; W830-W1041 AromaticContact CD1-CG 3.51Å; W830-W1041 AromaticContact CD1-NE1 3.81Å; W830-W1041 AromaticContact CG-CD1 3.99Å; G831-W1041 VanDerWaalsContact CA-CZ2 3.46Å; L834-W1041 HydrophobicContact CD2-CE3 4.09Å; L834-W1041 HydrophobicContact CD2-CH2 4.47Å; L834-W1041 HydrophobicContact CD2-CZ3 4.04Å; I1036-W1041 PolarHBondContact O-N 2.83Å; I1036-W1041 VanDerWaalsContact O-N 3.15Å; T1037-W1041 HydrophobicContact CG2-CE3 4.29Å; T1037-W1041 PolarHBondContact O-N 2.89Å; W1041-M1044 PolarHBondContact O-N 3.37Å; W1041-M1044 VanDerWaalsContact O-N 3.08Å; W1041-I1045 HydrophobicContact CD2-CG1 3.77Å; W1041-I1045 HydrophobicContact CE3-CG1 3.92Å; W1041-I1045 HydrophobicContact CG-CG1 4.49Å; W1041-I1045 HydrophobicContact CH2-CG1 3.74Å; W1041-I1045 HydrophobicContact CH2-CG2 4.47Å; W1041-I1045 HydrophobicContact CZ2-CD1 3.98Å; W1041-I1045 HydrophobicContact CZ2-CG1 3.58Å; W1041-I1045 HydrophobicContact CZ3-CB 4.49Å; W1041-I1045 HydrophobicContact CZ3-CG1 3.92Å; W1041-I1045 WeakPolarHBondContact O-CG1 3.15Å; W1041-I1045 PolarHBondContact O-N 3.37Å; W1041-M1077 HydrophobicContact CH2-CE 3.64Å; W1041-M1077 HydrophobicContact CH2-SD 4.21Å; W1041-M1077 HydrophobicContact CZ2-CE 4.31Å; W1041-M1077 HydrophobicContact CZ3-CE 4.35Å; W1041-F1079 HydrophobicContact CH2-CE1 4.27Å; W1041-F1079 HydrophobicContact CH2-CZ 4.09Å; W1041-F1079 HydrophobicContact CZ2-CZ 4.15Å; W1041-F1251 HydrophobicContact CZ3-CE2 4.33Å; W1041-F1251 HydrophobicContact CZ3-CZ 4.09Å; W1041-F1302 HydrophobicContact CB-CE2 4.35Å; W1041-F1302 HydrophobicContact CB-CZ 4.38Å |
| 1042 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.9 | -45 | -177.9 | -78.9 | 175 | 0 | 0 | 0 | 113.6 | T1037 Y1038 M1044 I1045 L1046 M1051 L1054 I1247 F1251 | T1037-L1042 HydrophobicContact CG2-CD1 4.32Å; T1037-L1042 HydrophobicContact CG2-CG 4.2Å; T1037-L1042 WeakPolarHBondContact O-CB 3.49Å; T1037-L1042 WeakPolarHBondContact O-CG 3.3Å; T1037-L1042 PolarHBondContact O-N 3.47Å; Y1038-L1042 HydrophobicContact CD1-CD1 3.72Å; Y1038-L1042 HydrophobicContact CD2-CD1 4.01Å; Y1038-L1042 HydrophobicContact CE1-CD1 3.89Å; Y1038-L1042 HydrophobicContact CE2-CD1 4.18Å; Y1038-L1042 HydrophobicContact CG-CD1 3.81Å; L1042-M1044 PolarHBondContact O-N 3.08Å; L1042-I1045 PolarHBondContact O-N 3.42Å; L1042-L1046 HydrophobicContact CD2-CD1 4.07Å; L1042-L1046 HydrophobicContact CD2-CG 4.47Å; L1042-L1046 WeakPolarHBondContact O-CB 3.26Å; L1042-L1046 PolarHBondContact O-N 2.89Å; L1042-M1051 HydrophobicContact CB-SD 4.04Å; L1042-L1054 HydrophobicContact CD1-CD1 3.78Å; L1042-I1247 HydrophobicContact CD2-CG2 4.45Å; L1042-F1251 HydrophobicContact CD1-CB 4.05Å; L1042-F1251 HydrophobicContact CD1-CD1 3.78Å; L1042-F1251 HydrophobicContact CD1-CE1 4.36Å; L1042-F1251 HydrophobicContact CD1-CG 3.88Å; L1042-F1251 HydrophobicContact CD2-CD1 4.17Å; L1042-F1251 HydrophobicContact CD2-CD2 3.71Å; L1042-F1251 HydrophobicContact CD2-CE1 4.29Å; L1042-F1251 HydrophobicContact CD2-CE2 3.84Å; L1042-F1251 HydrophobicContact CD2-CG 3.88Å; L1042-F1251 HydrophobicContact CD2-CZ 4.13Å; L1042-F1251 HydrophobicContact CG-CD1 4.44Å |
| 1043 | P | 97.6 | Very high | 97.2 | Very high | 48 Ų | 48 | 33.6 Ų | 33.6 | 31% | 0.312 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -55.7 | -35.5 | 175.4 | -28.6 | 35.8 | 0 | 0 | 0 | 114.3 | G1047 M1051 | P1043-G1047 WeakPolarHBondContact O-CA 3.4Å; P1043-G1047 PolarHBondContact O-N 3.04Å; P1043-M1051 HydrophobicContact CB-CG 4.32Å; P1043-M1051 HydrophobicContact CB-SD 4.45Å; P1043-M1051 HydrophobicContact CG-CE 4.1Å; P1043-M1051 HydrophobicContact CG-CG 4.42Å; P1043-M1051 HydrophobicContact CG-SD 4.04Å |
| 1044 | M | 97.1 | Very high | 97.1 | Very high | 22 Ų | 22 | 33.7 Ų | 33.7 | 11% | 0.108 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76.6 | -25.1 | 178.4 | -63.3 | -179.8 | -172.6 | 0 | 0 | 113 | F823 L827 Y1040 W1041 L1042 N1300 F1302 I1303 | F823-M1044 HydrophobicContact CD1-CG 4.46Å; F823-M1044 HydrophobicContact CD1-SD 3.9Å; F823-M1044 HydrophobicContact CE1-CB 4.03Å; F823-M1044 HydrophobicContact CE1-CE 4.45Å; F823-M1044 HydrophobicContact CE1-CG 3.69Å; F823-M1044 HydrophobicContact CE1-SD 3.65Å; F823-M1044 HydrophobicContact CE2-CB 4.04Å; F823-M1044 HydrophobicContact CZ-CB 3.69Å; F823-M1044 HydrophobicContact CZ-CG 3.78Å; F823-M1044 HydrophobicContact CZ-SD 4.29Å; L827-M1044 HydrophobicContact CD1-CB 3.92Å; L827-M1044 HydrophobicContact CD1-SD 3.97Å; L827-M1044 HydrophobicContact CD2-CB 4.41Å; Y1040-M1044 WeakPolarHBondContact O-CG 3.31Å; W1041-M1044 PolarHBondContact O-N 3.37Å; W1041-M1044 VanDerWaalsContact O-N 3.08Å; L1042-M1044 PolarHBondContact O-N 3.08Å; M1044-N1300 WeakPolarHBondContact CE-ND2 3.23Å; M1044-F1302 HydrophobicContact CE-CB 3.91Å; M1044-F1302 HydrophobicContact SD-CB 3.44Å; M1044-F1302 WeakPolarHBondContact SD-CB 3.25Å; M1044-F1302 HydrophobicContact SD-CD2 4.46Å; M1044-F1302 HydrophobicContact SD-CG 4.26Å; M1044-I1303 HydrophobicContact CE-CD1 4.36Å; M1044-I1303 HydrophobicContact CE-CG1 3.91Å |
| 1045 | I | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -84.5 | -46.8 | 177 | -62 | -49 | 0 | 0 | 0 | 111.5 | L827 W1041 L1042 F1079 M1083 A1237 R1238 V1239 | L827-I1045 HydrophobicContact CD1-CD1 4.14Å; L827-I1045 HydrophobicContact CD2-CD1 4.11Å; L827-I1045 HydrophobicContact CG-CD1 4.14Å; W1041-I1045 HydrophobicContact CD2-CG1 3.77Å; W1041-I1045 HydrophobicContact CE3-CG1 3.92Å; W1041-I1045 HydrophobicContact CG-CG1 4.49Å; W1041-I1045 HydrophobicContact CH2-CG1 3.74Å; W1041-I1045 HydrophobicContact CH2-CG2 4.47Å; W1041-I1045 HydrophobicContact CZ2-CD1 3.98Å; W1041-I1045 HydrophobicContact CZ2-CG1 3.58Å; W1041-I1045 HydrophobicContact CZ3-CB 4.49Å; W1041-I1045 HydrophobicContact CZ3-CG1 3.92Å; W1041-I1045 WeakPolarHBondContact O-CG1 3.15Å; W1041-I1045 PolarHBondContact O-N 3.37Å; L1042-I1045 PolarHBondContact O-N 3.42Å; I1045-F1079 HydrophobicContact CB-CZ 4.31Å; I1045-F1079 HydrophobicContact CD1-CE2 3.93Å; I1045-F1079 HydrophobicContact CD1-CZ 3.8Å; I1045-F1079 HydrophobicContact CG1-CZ 4.03Å; I1045-F1079 HydrophobicContact CG2-CE1 3.95Å; I1045-F1079 HydrophobicContact CG2-CE2 3.88Å; I1045-F1079 HydrophobicContact CG2-CZ 3.33Å; I1045-M1083 HydrophobicContact CD1-CE 4.14Å; I1045-M1083 HydrophobicContact CD1-SD 4.35Å; I1045-A1237 WeakPolarHBondContact O-CB 3.3Å; I1045-R1238 HydrophobicContact CD1-CB 4.25Å; I1045-R1238 PolarHBondContact O-N 3.27Å; I1045-V1239 HydrophobicContact CG2-CG1 4.26Å |
| 1046 | L | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -90.2 | -21.1 | -170.6 | -71 | -179 | 0 | 0 | 0 | 113.8 | L1042 G1050 M1051 L1054 A1237 V1239 A1244 I1247 A1248 | L1042-L1046 HydrophobicContact CD2-CD1 4.07Å; L1042-L1046 HydrophobicContact CD2-CG 4.47Å; L1042-L1046 WeakPolarHBondContact O-CB 3.26Å; L1042-L1046 PolarHBondContact O-N 2.89Å; L1046-G1050 WeakPolarHBondContact O-CA 3Å; L1046-G1050 PolarHBondContact O-N 3.38Å; L1046-M1051 HydrophobicContact CB-CG 4.38Å; L1046-M1051 HydrophobicContact CB-SD 4.39Å; L1046-M1051 HydrophobicContact CD1-SD 4.17Å; L1046-L1054 HydrophobicContact CD1-CD1 4.06Å; L1046-A1237 WeakPolarHBondContact O-CB 3.3Å; L1046-V1239 HydrophobicContact CD2-CG2 4.25Å; L1046-A1244 HydrophobicContact CD2-CB 4.21Å; L1046-I1247 HydrophobicContact CD1-CG2 4.5Å; L1046-I1247 HydrophobicContact CD2-CB 4.09Å; L1046-I1247 HydrophobicContact CD2-CG2 3.81Å; L1046-I1247 HydrophobicContact CG-CG2 4.41Å; L1046-A1248 HydrophobicContact CD1-CB 4.31Å |
| 1047 | G | 96.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 45.2 Ų | 45.2 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | 64.4 | -175.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1043 M1051 | P1043-G1047 WeakPolarHBondContact O-CA 3.4Å; P1043-G1047 PolarHBondContact O-N 3.04Å; G1047-M1051 WeakPolarHBondContact O-CB 3Å; G1047-M1051 VanDerWaalsContact O-CG 3.24Å; G1047-M1051 WeakPolarHBondContact O-CG 3.28Å; G1047-M1051 PolarHBondContact O-N 3.25Å |
| 1048 | A | 96.8 | Very high | 96.7 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -61.3 | -48.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1050 M1051 E1052 | A1048-G1050 PolarHBondContact O-N 3.21Å; A1048-M1051 PolarHBondContact O-N 3.26Å; A1048-M1051 VanDerWaalsContact O-N 3.16Å; A1048-E1052 PolarHBondContact O-N 2.97Å |
| 1049 | D | 94.5 | Very high | 96.5 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.4 | -43.9 | -178.4 | -57.8 | -9.9 | 0 | 0 | 0 | 112 | E1052 L1053 L1234 | D1049-E1052 WeakPolarHBondContact O-CB 3.1Å; D1049-E1052 PolarHBondContact O-N 3.44Å; D1049-L1053 WeakPolarHBondContact O-CG 3.38Å; D1049-L1053 PolarHBondContact O-N 2.87Å; D1049-L1053 VanDerWaalsContact O-N 3.14Å; D1049-L1234 HydrophobicContact CB-CD1 4.35Å |
| 1050 | G | 95.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.6 | -28.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1046 A1048 L1053 L1054 | L1046-G1050 WeakPolarHBondContact O-CA 3Å; L1046-G1050 PolarHBondContact O-N 3.38Å; A1048-G1050 PolarHBondContact O-N 3.21Å; G1050-L1053 WeakPolarHBondContact O-CB 3.44Å; G1050-L1053 PolarHBondContact O-N 3.42Å; G1050-L1054 PolarHBondContact O-N 3.31Å; G1050-L1054 VanDerWaalsContact O-N 3.12Å |
| 1051 | M | 97.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 52 Ų | 52 | 26% | 0.261 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.1 | -33.6 | 171.5 | -72.2 | -58.4 | -60.4 | 0 | 0 | 112.1 | L1042 P1043 L1046 G1047 A1048 L1054 G1055 | L1042-M1051 HydrophobicContact CB-SD 4.04Å; P1043-M1051 HydrophobicContact CB-CG 4.32Å; P1043-M1051 HydrophobicContact CB-SD 4.45Å; P1043-M1051 HydrophobicContact CG-CE 4.1Å; P1043-M1051 HydrophobicContact CG-CG 4.42Å; P1043-M1051 HydrophobicContact CG-SD 4.04Å; L1046-M1051 HydrophobicContact CB-CG 4.38Å; L1046-M1051 HydrophobicContact CB-SD 4.39Å; L1046-M1051 HydrophobicContact CD1-SD 4.17Å; G1047-M1051 WeakPolarHBondContact O-CB 3Å; G1047-M1051 VanDerWaalsContact O-CG 3.24Å; G1047-M1051 WeakPolarHBondContact O-CG 3.28Å; G1047-M1051 PolarHBondContact O-N 3.25Å; A1048-M1051 PolarHBondContact O-N 3.26Å; A1048-M1051 VanDerWaalsContact O-N 3.16Å; M1051-L1054 HydrophobicContact CE-CD2 4.47Å; M1051-L1054 PolarHBondContact O-N 2.87Å; M1051-G1055 PolarHBondContact O-N 2.72Å |
| 1052 | E | 96.9 | Very high | 96.4 | Very high | 159 Ų | 159 | 57.2 Ų | 57.2 | 74% | 0.743 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 170.8 | -172.5 | 178.3 | 177.9 | 0 | 0 | 111.1 | A1048 D1049 L1054 G1055 | A1048-E1052 PolarHBondContact O-N 2.97Å; D1049-E1052 WeakPolarHBondContact O-CB 3.1Å; D1049-E1052 PolarHBondContact O-N 3.44Å; E1052-L1054 VanDerWaalsContact C-N 3.27Å; E1052-L1054 PolarHBondContact O-N 2.8Å; E1052-G1055 PolarHBondContact O-N 3.04Å |
| 1053 | L | 95.6 | Very high | 96.4 | Very high | 101 Ų | 101 | 63.4 Ų | 63.4 | 53% | 0.529 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -34.7 | 173.5 | -66.2 | 175.8 | 0 | 0 | 0 | 113 | D1049 G1050 A1248 | D1049-L1053 WeakPolarHBondContact O-CG 3.38Å; D1049-L1053 PolarHBondContact O-N 2.87Å; D1049-L1053 VanDerWaalsContact O-N 3.14Å; G1050-L1053 WeakPolarHBondContact O-CB 3.44Å; G1050-L1053 PolarHBondContact O-N 3.42Å; L1053-A1248 HydrophobicContact CB-CB 3.84Å |
| 1054 | L | 97 | Very high | 96.3 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -72.6 | -36 | 178.9 | -173 | 146.5 | 0 | 0 | 0 | 112 | Y1038 L1042 L1046 G1050 M1051 E1052 A1248 F1251 R1255 | Y1038-L1054 HydrophobicContact CD1-CD2 4.47Å; Y1038-L1054 HydrophobicContact CE1-CD1 4.4Å; Y1038-L1054 HydrophobicContact CE1-CD2 4.47Å; L1042-L1054 HydrophobicContact CD1-CD1 3.78Å; L1046-L1054 HydrophobicContact CD1-CD1 4.06Å; G1050-L1054 PolarHBondContact O-N 3.31Å; G1050-L1054 VanDerWaalsContact O-N 3.12Å; M1051-L1054 HydrophobicContact CE-CD2 4.47Å; M1051-L1054 PolarHBondContact O-N 2.87Å; E1052-L1054 VanDerWaalsContact C-N 3.27Å; E1052-L1054 PolarHBondContact O-N 2.8Å; L1054-A1248 HydrophobicContact CB-CB 4.2Å; L1054-F1251 HydrophobicContact CD1-CB 3.85Å; L1054-R1255 PolarHBondContact O-NH2 3.41Å |
| 1055 | G | 96.6 | Very high | 96.4 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | trans | 69.9 | 177.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | M1051 E1052 R1255 | M1051-G1055 PolarHBondContact O-N 2.72Å; E1052-G1055 PolarHBondContact O-N 3.04Å; G1055-R1255 PolarHBondContact O-NH1 3.2Å; G1055-R1255 VanDerWaalsContact O-NH1 3.13Å; G1055-R1255 PolarHBondContact O-NH2 3.43Å | ||
| 1056 | E | 95.4 | Very high | 96.3 | Very high | 167 Ų | 167 | 63.1 Ų | 63.1 | 78% | 0.78 | 33% | 0.331 | S | S | * | . | trans | -78.2 | 160 | 178.2 | -62.9 | -168.9 | 161.6 | 0 | 0 | 113.1 | R1255 | E1056-R1255 VanDerWaalsContact C-NH2 3.31Å; E1056-R1255 PolarHBondContact O-NH2 3.07Å | ||
| 1057 | Y | 96.3 | Very high | 96.4 | Very high | 44 Ų | 44 | 63.6 Ų | 63.6 | 17% | 0.173 | 33% | 0.334 | C | S | . | . | trans | -83 | 114.7 | 177.4 | 177.5 | -121.9 | 0 | 0 | 0 | 111.3 | G1059 Y1060 R1255 W1261 E1263 A1264 | Y1057-G1059 VanDerWaalsContact CE2-O 3.3Å; Y1057-G1059 WeakPolarHBondContact CE2-O 3.26Å; Y1057-G1059 VanDerWaalsContact CZ-C 3.48Å; Y1057-G1059 WeakPolarHBondContact OH-CA 3.3Å; Y1057-Y1060 PolarHBondContact OH-N 2.96Å; Y1057-R1255 HydrophobicContact CD2-CG 3.55Å; Y1057-R1255 HydrophobicContact CE2-CG 3.99Å; Y1057-R1255 HydrophobicContact CG-CG 4.3Å; Y1057-W1261 AromaticContact CD1-NE1 3.94Å; Y1057-W1261 AromaticContact CE1-CD1 3.54Å; Y1057-W1261 AromaticContact CE1-NE1 3.89Å; Y1057-W1261 AromaticContact CE2-CD1 3.67Å; Y1057-W1261 HydrophobicContact CE2-CG 4.33Å; Y1057-W1261 AromaticContact CZ-CD1 3.3Å; Y1057-W1261 AromaticContact CZ-NE1 3.95Å; Y1057-E1263 HydrophobicContact CD1-CB 3.98Å; Y1057-E1263 HydrophobicContact CE1-CB 3.86Å; Y1057-A1264 WeakPolarHBondContact OH-CB 3.32Å | ||
| 1058 | N | 94.8 | Very high | 96.4 | Very high | 152 Ų | 152 | 63.4 Ų | 63.4 | 81% | 0.813 | 33% | 0.332 | S | S | * | . | trans | -100.3 | 14.7 | -178.1 | -65.2 | -37.1 | 0 | 0 | 0 | 114.2 | ||||
| 1059 | G | 94.2 | Very high | 96.5 | Very high | 22 Ų | 22 | 59.7 Ų | 59.7 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | trans | 99.1 | 173.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1057 | Y1057-G1059 VanDerWaalsContact CE2-O 3.3Å; Y1057-G1059 WeakPolarHBondContact CE2-O 3.26Å; Y1057-G1059 VanDerWaalsContact CZ-C 3.48Å; Y1057-G1059 WeakPolarHBondContact OH-CA 3.3Å | ||
| 1060 | Y | 96.7 | Very high | 96.6 | Very high | 69 Ų | 69 | 56 Ų | 56 | 27% | 0.271 | 28% | 0.282 | S | S | . | . | trans | -75.7 | 132.2 | 174.9 | 165.7 | -109.6 | 0 | 0 | 0 | 110.5 | Y1057 Y1062 S1256 R1259 | Y1057-Y1060 PolarHBondContact OH-N 2.96Å; Y1060-Y1062 WeakPolarHBondContact OH-CA 3.37Å; Y1060-Y1062 WeakPolarHBondContact OH-CB 3.26Å; Y1060-S1256 WeakPolarHBondContact CA-O 3.48Å; Y1060-S1256 WeakPolarHBondContact CD2-O 3.28Å; Y1060-R1259 HydrophobicContact CD1-CB 4.38Å; Y1060-R1259 HydrophobicContact CD1-CG 4.37Å; Y1060-R1259 HydrophobicContact CD2-CB 4.14Å; Y1060-R1259 HydrophobicContact CE1-CB 4.11Å; Y1060-R1259 HydrophobicContact CE1-CG 4.19Å; Y1060-R1259 HydrophobicContact CE2-CB 3.85Å; Y1060-R1259 HydrophobicContact CG-CB 4.39Å | ||
| 1061 | D | 96.6 | Very high | 96.8 | Very high | 61 Ų | 61 | 56 Ų | 56 | 33% | 0.326 | 28% | 0.282 | S | S | . | . | trans | -121.2 | 113 | 175.2 | -178.8 | -4.1 | 0 | 0 | 0 | 109.8 | Q1063 I1064 S1256 | D1061-Q1063 PolarHBondContact O-N 3.08Å; D1061-Q1063 WeakPolarHBondContact OD1-CB 3.43Å; D1061-Q1063 PolarHBondContact OD1-N 3.16Å; D1061-I1064 HydrophobicContact CB-CB 4.48Å; D1061-I1064 HydrophobicContact CB-CD1 3.85Å; D1061-I1064 HydrophobicContact CB-CG1 3.96Å; D1061-I1064 PolarHBondContact O-N 2.84Å; D1061-I1064 VanDerWaalsContact O-N 3.11Å; D1061-S1256 PolarHBondContact N-O 2.74Å | ||
| 1062 | Y | 95.3 | Very high | 96.8 | Very high | 110 Ų | 110 | 53.5 Ų | 53.5 | 43% | 0.431 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.5 | -179 | 75.8 | -89.6 | 0 | 0 | 0 | 113.6 | N699 N701 Y1060 | N699-Y1062 PolarHBondContact ND2-O 2.77Å; N701-Y1062 VanDerWaalsContact ND2-CD2 3.31Å; N701-Y1062 WeakPolarHBondContact ND2-CD2 3.25Å; Y1060-Y1062 WeakPolarHBondContact OH-CA 3.37Å; Y1060-Y1062 WeakPolarHBondContact OH-CB 3.26Å |
| 1063 | Q | 97.2 | Very high | 96.9 | Very high | 129 Ų | 129 | 46 Ų | 46 | 60% | 0.603 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -14.2 | 175.1 | -58.1 | -174.7 | -4.1 | 0 | 0 | 112.1 | D1061 | D1061-Q1063 PolarHBondContact O-N 3.08Å; D1061-Q1063 WeakPolarHBondContact OD1-CB 3.43Å; D1061-Q1063 PolarHBondContact OD1-N 3.16Å |
| 1064 | I | 96.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -81.6 | 122 | 177 | -67.5 | 179.8 | 0 | 0 | 0 | 109.7 | D1061 P1066 K1253 | D1061-I1064 HydrophobicContact CB-CB 4.48Å; D1061-I1064 HydrophobicContact CB-CD1 3.85Å; D1061-I1064 HydrophobicContact CB-CG1 3.96Å; D1061-I1064 PolarHBondContact O-N 2.84Å; D1061-I1064 VanDerWaalsContact O-N 3.11Å; I1064-P1066 WeakPolarHBondContact O-CD 3.16Å; I1064-K1253 HydrophobicContact CG2-CB 4.04Å; I1064-K1253 HydrophobicContact CG2-CG 3.9Å |
| 1065 | N | 97.4 | Very high | 97 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | trans | -81.8 | 112.6 | 169.5 | -174.8 | -8.8 | 0 | 0 | 0 | 110.6 | W705 T1067 | W705-N1065 HydrophobicContact CD2-CB 3.81Å; W705-N1065 HydrophobicContact CE3-CB 3.67Å; W705-N1065 HydrophobicContact CG-CB 4.42Å; W705-N1065 HydrophobicContact CH2-CB 4.22Å; W705-N1065 HydrophobicContact CZ2-CB 4.35Å; W705-N1065 HydrophobicContact CZ3-CB 3.88Å; N1065-T1067 VanDerWaalsContact C-N 3.34Å; N1065-T1067 WeakPolarHBondContact OD1-CB 3.31Å; N1065-T1067 PolarHBondContact OD1-N 2.85Å; N1065-T1067 PolarHBondContact OD1-OG1 3.23Å | ||
| 1066 | P | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -79.5 | -8.5 | 179.3 | 33.8 | -39.1 | 0 | 0 | 0 | 114.2 | F916 I1064 I1068 Q1250 L1254 | F916-P1066 HydrophobicContact CE1-CB 3.96Å; F916-P1066 HydrophobicContact CE1-CG 3.6Å; F916-P1066 HydrophobicContact CZ-CG 3.97Å; I1064-P1066 WeakPolarHBondContact O-CD 3.16Å; P1066-I1068 PolarHBondContact O-N 3.32Å; P1066-Q1250 PolarHBondContact O-NE2 3.3Å; P1066-L1254 HydrophobicContact CB-CD2 4.48Å; P1066-L1254 WeakPolarHBondContact O-CD2 3.46Å | ||
| 1067 | T | 98.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 32 Ų | 32 | 7% | 0.067 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -51 | 133.2 | -176 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | G706 V710 R713 N1065 S1069 | G706-T1067 PolarHBondContact N-OG1 3.32Å; V710-T1067 HydrophobicContact CG2-CG2 4.09Å; R713-T1067 HydrophobicContact CB-CG2 4.45Å; R713-T1067 PolarHBondContact NE-O 2.86Å; N1065-T1067 VanDerWaalsContact C-N 3.34Å; N1065-T1067 WeakPolarHBondContact OD1-CB 3.31Å; N1065-T1067 PolarHBondContact OD1-N 2.85Å; N1065-T1067 PolarHBondContact OD1-OG1 3.23Å; T1067-S1069 PolarHBondContact O-N 3.03Å |
| 1068 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -56.2 | 134.7 | 178.3 | -59.6 | -56.3 | 0 | 0 | 0 | 110.6 | F712 R713 L838 D839 A915 P1066 F1072 A1073 Q1250 L1254 | F712-I1068 WeakPolarHBondContact CA-O 3.31Å; F712-I1068 HydrophobicContact CD1-CB 4.08Å; F712-I1068 HydrophobicContact CD1-CG2 3.99Å; F712-I1068 HydrophobicContact CE1-CB 4.25Å; F712-I1068 HydrophobicContact CE1-CG2 4.01Å; R713-I1068 PolarHBondContact N-O 2.64Å; L838-I1068 HydrophobicContact CB-CD1 4.09Å; L838-I1068 HydrophobicContact CB-CG1 4.47Å; L838-I1068 HydrophobicContact CD2-CD1 4.38Å; L838-I1068 VanDerWaalsContact O-CG1 3.32Å; L838-I1068 WeakPolarHBondContact O-CG1 3.34Å; D839-I1068 HydrophobicContact CB-CG2 4.3Å; A915-I1068 HydrophobicContact CB-CD1 4.23Å; A915-I1068 HydrophobicContact CB-CG1 3.82Å; P1066-I1068 PolarHBondContact O-N 3.32Å; I1068-F1072 HydrophobicContact CG2-CB 4.43Å; I1068-F1072 HydrophobicContact CG2-CD1 3.78Å; I1068-A1073 HydrophobicContact CG2-CB 3.93Å; I1068-Q1250 HydrophobicContact CD1-CG 4.12Å; I1068-L1254 HydrophobicContact CD1-CD1 4.1Å; I1068-L1254 HydrophobicContact CD1-CD2 3.89Å; I1068-L1254 HydrophobicContact CD1-CG 4.39Å |
| 1069 | S | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -80 | 144.2 | 172.2 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | R713 T1067 E1071 F1072 A1073 Q1250 | R713-S1069 CarbonylContact O-C 3.56Å; R713-S1069 WeakPolarHBondContact O-CA 3.46Å; T1067-S1069 PolarHBondContact O-N 3.03Å; S1069-E1071 PolarHBondContact O-N 2.79Å; S1069-F1072 WeakPolarHBondContact O-CB 3.19Å; S1069-F1072 PolarHBondContact O-N 3.45Å; S1069-F1072 VanDerWaalsContact O-N 3.09Å; S1069-F1072 WeakPolarHBondContact OG-CB 3.13Å; S1069-F1072 PolarHBondContact OG-N 2.83Å; S1069-A1073 PolarHBondContact O-N 3.46Å; S1069-Q1250 PolarHBondContact OG-OE1 2.89Å |
| 1070 | N | 97.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -36.2 | -179.3 | -159.8 | -31.4 | 0 | 0 | 0 | 110.9 | F712 R713 R714 Q909 T1074 H1172 L1174 | F712-N1070 HydrophobicContact CB-CB 3.75Å; F712-N1070 HydrophobicContact CG-CB 4.25Å; R713-N1070 PolarHBondContact O-N 3.03Å; R714-N1070 HydrophobicContact CG-CB 4.47Å; R714-N1070 PolarHBondContact NH1-ND2 3.23Å; R714-N1070 PolarHBondContact NH2-ND2 3.03Å; Q909-N1070 PolarHBondContact OE1-ND2 3.34Å; N1070-T1074 WeakPolarHBondContact O-CB 3.42Å; N1070-T1074 PolarHBondContact O-N 2.6Å; N1070-T1074 PolarHBondContact O-OG1 2.99Å; N1070-T1074 PolarHBondContact OD1-OG1 3.17Å; N1070-H1172 PolarHBondContact OD1-ND1 3.23Å; N1070-L1174 HydrophobicContact CB-CD2 4.35Å |
| 1071 | E | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.4 | -42.3 | 173.5 | -67 | 85.1 | 170.8 | 0 | 0 | 113.7 | L715 L716 S1069 A1075 A1076 L1174 Y1180 L1224 I1246 | L715-E1071 HydrophobicContact CB-CG 4.28Å; L715-E1071 HydrophobicContact CD1-CB 4.06Å; L715-E1071 HydrophobicContact CD1-CG 4.22Å; L715-E1071 HydrophobicContact CG-CB 4.49Å; L715-E1071 HydrophobicContact CG-CG 4.35Å; L715-E1071 VanDerWaalsContact N-CD 3.34Å; L715-E1071 PolarHBondContact N-OE1 3.39Å; L715-E1071 PolarHBondContact N-OE2 2.86Å; L715-E1071 VanDerWaalsContact N-OE2 3.07Å; L716-E1071 PolarHBondContact N-OE1 2.75Å; L716-E1071 VanDerWaalsContact N-OE1 3.16Å; S1069-E1071 PolarHBondContact O-N 2.79Å; E1071-A1075 PolarHBondContact O-N 2.96Å; E1071-A1075 VanDerWaalsContact O-N 3.1Å; E1071-A1076 PolarHBondContact O-N 2.81Å; E1071-L1174 HydrophobicContact CG-CD2 4.33Å; E1071-Y1180 HydrophobicContact CB-CE1 4.46Å; E1071-Y1180 VanDerWaalsContact CD-OH 3.3Å; E1071-Y1180 HydrophobicContact CG-CD1 4.24Å; E1071-Y1180 HydrophobicContact CG-CE1 3.3Å; E1071-Y1180 HydrophobicContact CG-CE2 4.35Å; E1071-Y1180 WeakPolarHBondContact CG-OH 3.26Å; E1071-Y1180 WeakPolarHBondContact OE1-CE1 3.43Å; E1071-Y1180 PolarHBondContact OE1-OH 2.94Å; E1071-L1224 HydrophobicContact CB-CD2 4.33Å; E1071-L1224 HydrophobicContact CG-CD2 4.36Å; E1071-I1246 HydrophobicContact CB-CG2 4.41Å |
| 1072 | F | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | I | π-helix | trans | -64.8 | -57 | 178.3 | 177 | -88.9 | 0 | 0 | 0 | 110.6 | L838 I1068 S1069 T1074 A1076 M1077 I1246 I1247 Q1250 F1251 | L838-F1072 HydrophobicContact CD1-CE1 4.07Å; L838-F1072 HydrophobicContact CD1-CZ 4.12Å; I1068-F1072 HydrophobicContact CG2-CB 4.43Å; I1068-F1072 HydrophobicContact CG2-CD1 3.78Å; S1069-F1072 WeakPolarHBondContact O-CB 3.19Å; S1069-F1072 PolarHBondContact O-N 3.45Å; S1069-F1072 VanDerWaalsContact O-N 3.09Å; S1069-F1072 WeakPolarHBondContact OG-CB 3.13Å; S1069-F1072 PolarHBondContact OG-N 2.83Å; F1072-T1074 PolarHBondContact O-N 2.7Å; F1072-A1076 PolarHBondContact O-N 2.78Å; F1072-M1077 HydrophobicContact CD1-CB 4.05Å; F1072-M1077 HydrophobicContact CD2-CB 4.47Å; F1072-M1077 HydrophobicContact CE1-CB 3.75Å; F1072-M1077 HydrophobicContact CE1-CG 3.82Å; F1072-M1077 HydrophobicContact CE1-SD 4.3Å; F1072-M1077 HydrophobicContact CE2-CB 4.2Å; F1072-M1077 HydrophobicContact CE2-CG 4.45Å; F1072-M1077 HydrophobicContact CE2-SD 4.1Å; F1072-M1077 HydrophobicContact CG-CB 4.41Å; F1072-M1077 HydrophobicContact CZ-CB 3.83Å; F1072-M1077 HydrophobicContact CZ-CG 3.74Å; F1072-M1077 HydrophobicContact CZ-SD 3.6Å; F1072-M1077 WeakPolarHBondContact O-CB 3.44Å; F1072-M1077 PolarHBondContact O-N 2.87Å; F1072-I1246 HydrophobicContact CB-CG2 4.32Å; F1072-I1247 HydrophobicContact CD2-CG1 4.36Å; F1072-I1247 HydrophobicContact CE2-CB 4.48Å; F1072-I1247 HydrophobicContact CE2-CG1 4.17Å; F1072-I1247 HydrophobicContact CE2-CG2 4.45Å; F1072-Q1250 HydrophobicContact CB-CB 4.38Å; F1072-Q1250 HydrophobicContact CB-CG 4.22Å; F1072-Q1250 HydrophobicContact CD1-CG 4.02Å; F1072-Q1250 HydrophobicContact CD2-CB 3.49Å; F1072-Q1250 VanDerWaalsContact CD2-CB 3.49Å; F1072-Q1250 HydrophobicContact CD2-CG 3.64Å; F1072-Q1250 HydrophobicContact CE1-CG 4.26Å; F1072-Q1250 HydrophobicContact CE2-CB 3.87Å; F1072-Q1250 HydrophobicContact CE2-CG 3.91Å; F1072-Q1250 HydrophobicContact CG-CB 3.98Å; F1072-Q1250 HydrophobicContact CG-CG 3.7Å; F1072-Q1250 HydrophobicContact CZ-CG 4.21Å; F1072-F1251 HydrophobicContact CE2-CD2 4.08Å; F1072-F1251 AromaticContact CE2-CE2 3.73Å; F1072-F1251 HydrophobicContact CE2-CE2 3.73Å; F1072-F1251 HydrophobicContact CZ-CD2 4.38Å; F1072-F1251 AromaticContact CZ-CE2 3.7Å; F1072-F1251 HydrophobicContact CZ-CE2 3.7Å; F1072-F1251 HydrophobicContact CZ-CZ 4.2Å |
| 1073 | A | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -64.5 | -38 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F712 D839 I1068 S1069 R1078 | F712-A1073 HydrophobicContact CD1-CB 4.32Å; F712-A1073 HydrophobicContact CE1-CB 3.7Å; F712-A1073 HydrophobicContact CZ-CB 4.07Å; D839-A1073 HydrophobicContact CB-CB 3.82Å; D839-A1073 WeakPolarHBondContact OD1-CA 3.06Å; D839-A1073 WeakPolarHBondContact OD1-CB 3.35Å; D839-A1073 WeakPolarHBondContact OD2-CB 3.38Å; I1068-A1073 HydrophobicContact CG2-CB 3.93Å; S1069-A1073 PolarHBondContact O-N 3.46Å; A1073-R1078 PolarHBondContact O-NE 2.97Å |
| 1074 | T | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | I | π-helix | trans | -93.2 | -22.1 | -170.3 | -52.5 | 0 | 0 | 0 | 0 | 113.2 | N1070 F1072 R1078 R1168 H1172 L1174 | N1070-T1074 WeakPolarHBondContact O-CB 3.42Å; N1070-T1074 PolarHBondContact O-N 2.6Å; N1070-T1074 PolarHBondContact O-OG1 2.99Å; N1070-T1074 PolarHBondContact OD1-OG1 3.17Å; F1072-T1074 PolarHBondContact O-N 2.7Å; T1074-R1078 VanDerWaalsContact O-CD 3.3Å; T1074-R1078 WeakPolarHBondContact O-CD 3.42Å; T1074-R1078 PolarHBondContact O-NE 3.03Å; T1074-R1168 HydrophobicContact CG2-CB 4.35Å; T1074-R1168 HydrophobicContact CG2-CG 3.84Å; T1074-H1172 HydrophobicContact CG2-CB 4.19Å; T1074-H1172 PolarHBondContact OG1-CE1 2.95Å; T1074-H1172 PolarHBondContact OG1-ND1 2.99Å; T1074-L1174 HydrophobicContact CG2-CD1 3.92Å |
| 1075 | A | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.008 | 5% | 0.051 | C | C | . | . | I | π-helix | trans | -133.9 | -59.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | E1071 R1078 L1174 L1224 F1225 | E1071-A1075 PolarHBondContact O-N 2.96Å; E1071-A1075 VanDerWaalsContact O-N 3.1Å; A1075-R1078 WeakPolarHBondContact O-CB 3.36Å; A1075-R1078 PolarHBondContact O-N 3.25Å; A1075-L1174 HydrophobicContact CB-CD1 4.14Å; A1075-L1224 HydrophobicContact CB-CB 4.31Å; A1075-L1224 HydrophobicContact CB-CD2 3.66Å; A1075-L1224 HydrophobicContact CB-CG 3.77Å; A1075-F1225 HydrophobicContact CB-CB 4.36Å |
| 1076 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.044 | C | C | . | . | I | π-helix | trans | -68.8 | -47.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1071 F1072 R1078 F1079 F1243 I1246 I1247 | E1071-A1076 PolarHBondContact O-N 2.81Å; F1072-A1076 PolarHBondContact O-N 2.78Å; A1076-R1078 PolarHBondContact O-N 2.74Å; A1076-F1079 WeakPolarHBondContact O-CB 3.16Å; A1076-F1079 VanDerWaalsContact O-CD1 3.26Å; A1076-F1079 WeakPolarHBondContact O-CD1 3.45Å; A1076-F1079 PolarHBondContact O-N 2.93Å; A1076-F1243 HydrophobicContact CB-CD1 3.88Å; A1076-F1243 HydrophobicContact CB-CE1 4.21Å; A1076-F1243 HydrophobicContact CB-CG 4.2Å; A1076-I1246 HydrophobicContact CB-CB 4.02Å; A1076-I1246 HydrophobicContact CB-CD1 4.49Å; A1076-I1246 HydrophobicContact CB-CG2 3.61Å; A1076-I1247 HydrophobicContact CB-CG1 4.14Å |
| 1077 | M | 97.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 8.1 Ų | 8.1 | 4% | 0.039 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -68.6 | -18.8 | -179.4 | -165.4 | 58.8 | 179.7 | 0 | 0 | 112.7 | L834 D835 W1041 F1072 F1079 F1251 | L834-M1077 HydrophobicContact CD2-CE 4.37Å; D835-M1077 HydrophobicContact CB-CE 4.2Å; D835-M1077 HydrophobicContact CB-CG 4.23Å; D835-M1077 WeakPolarHBondContact OD2-CG 3.48Å; W1041-M1077 HydrophobicContact CH2-CE 3.64Å; W1041-M1077 HydrophobicContact CH2-SD 4.21Å; W1041-M1077 HydrophobicContact CZ2-CE 4.31Å; W1041-M1077 HydrophobicContact CZ3-CE 4.35Å; F1072-M1077 HydrophobicContact CD1-CB 4.05Å; F1072-M1077 HydrophobicContact CD2-CB 4.47Å; F1072-M1077 HydrophobicContact CE1-CB 3.75Å; F1072-M1077 HydrophobicContact CE1-CG 3.82Å; F1072-M1077 HydrophobicContact CE1-SD 4.3Å; F1072-M1077 HydrophobicContact CE2-CB 4.2Å; F1072-M1077 HydrophobicContact CE2-CG 4.45Å; F1072-M1077 HydrophobicContact CE2-SD 4.1Å; F1072-M1077 HydrophobicContact CG-CB 4.41Å; F1072-M1077 HydrophobicContact CZ-CB 3.83Å; F1072-M1077 HydrophobicContact CZ-CG 3.74Å; F1072-M1077 HydrophobicContact CZ-SD 3.6Å; F1072-M1077 WeakPolarHBondContact O-CB 3.44Å; F1072-M1077 PolarHBondContact O-N 2.87Å; M1077-F1079 PolarHBondContact O-N 2.71Å; M1077-F1079 VanDerWaalsContact O-N 3.1Å; M1077-F1079 HydrophobicContact SD-CE1 4.12Å; M1077-F1251 HydrophobicContact SD-CE2 4.46Å |
| 1078 | R | 97.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 8.6 Ų | 8.6 | 16% | 0.158 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -73 | 2.4 | 173.9 | -55.8 | -167 | -174.8 | -160.7 | 0 | 114.2 | A1073 T1074 A1075 A1076 G1080 H1081 N1165 F1225 | A1073-R1078 PolarHBondContact O-NE 2.97Å; T1074-R1078 VanDerWaalsContact O-CD 3.3Å; T1074-R1078 WeakPolarHBondContact O-CD 3.42Å; T1074-R1078 PolarHBondContact O-NE 3.03Å; A1075-R1078 WeakPolarHBondContact O-CB 3.36Å; A1075-R1078 PolarHBondContact O-N 3.25Å; A1076-R1078 PolarHBondContact O-N 2.74Å; R1078-G1080 PolarHBondContact O-N 3Å; R1078-H1081 WeakPolarHBondContact O-CB 3.29Å; R1078-H1081 PolarHBondContact O-N 3.41Å; R1078-H1081 PolarHBondContact O-ND1 2.99Å; R1078-N1165 VanDerWaalsContact CD-OD1 3.3Å; R1078-N1165 WeakPolarHBondContact CD-OD1 3.5Å; R1078-N1165 PolarHBondContact NH1-OD1 3.18Å; R1078-F1225 HydrophobicContact CB-CD2 4.22Å; R1078-F1225 HydrophobicContact CB-CE2 3.81Å |
| 1079 | F | 96.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 1% | 0.009 | 5% | 0.051 | C | C | . | . | G | 310 helix | trans | -56 | -27.9 | 169.8 | 85.9 | -88.8 | 0 | 0 | 0 | 112.3 | W1041 I1045 A1076 M1077 H1081 T1082 M1083 I1229 R1238 V1239 F1243 I1247 | W1041-F1079 HydrophobicContact CH2-CE1 4.27Å; W1041-F1079 HydrophobicContact CH2-CZ 4.09Å; W1041-F1079 HydrophobicContact CZ2-CZ 4.15Å; I1045-F1079 HydrophobicContact CB-CZ 4.31Å; I1045-F1079 HydrophobicContact CD1-CE2 3.93Å; I1045-F1079 HydrophobicContact CD1-CZ 3.8Å; I1045-F1079 HydrophobicContact CG1-CZ 4.03Å; I1045-F1079 HydrophobicContact CG2-CE1 3.95Å; I1045-F1079 HydrophobicContact CG2-CE2 3.88Å; I1045-F1079 HydrophobicContact CG2-CZ 3.33Å; A1076-F1079 WeakPolarHBondContact O-CB 3.16Å; A1076-F1079 VanDerWaalsContact O-CD1 3.26Å; A1076-F1079 WeakPolarHBondContact O-CD1 3.45Å; A1076-F1079 PolarHBondContact O-N 2.93Å; M1077-F1079 PolarHBondContact O-N 2.71Å; M1077-F1079 VanDerWaalsContact O-N 3.1Å; M1077-F1079 HydrophobicContact SD-CE1 4.12Å; F1079-H1081 PolarHBondContact O-N 3.02Å; F1079-H1081 VanDerWaalsContact O-N 3.1Å; F1079-T1082 WeakPolarHBondContact O-CB 3.16Å; F1079-T1082 PolarHBondContact O-N 2.93Å; F1079-T1082 PolarHBondContact O-OG1 2.98Å; F1079-M1083 HydrophobicContact CD2-CE 4.23Å; F1079-M1083 HydrophobicContact CE2-CE 3.47Å; F1079-M1083 VanDerWaalsContact CE2-CE 3.47Å; F1079-M1083 HydrophobicContact CE2-SD 4Å; F1079-M1083 HydrophobicContact CZ-CE 4.05Å; F1079-I1229 HydrophobicContact CB-CD1 4.15Å; F1079-R1238 HydrophobicContact CE2-CB 4.5Å; F1079-V1239 HydrophobicContact CB-CG1 4.04Å; F1079-V1239 HydrophobicContact CD1-CG1 3.93Å; F1079-V1239 HydrophobicContact CD2-CG1 3.55Å; F1079-V1239 HydrophobicContact CE1-CG1 4.31Å; F1079-V1239 HydrophobicContact CE2-CG1 3.95Å; F1079-V1239 HydrophobicContact CG-CG1 3.54Å; F1079-V1239 HydrophobicContact CZ-CG1 4.33Å; F1079-F1243 HydrophobicContact CB-CD2 4.15Å; F1079-F1243 HydrophobicContact CB-CE2 4.45Å; F1079-I1247 HydrophobicContact CD1-CD1 3.79Å; F1079-I1247 HydrophobicContact CE1-CD1 3.88Å |
| 1080 | G | 96 | Very high | 96.4 | Very high | 19 Ų | 19 | 9.5 Ų | 9.5 | 20% | 0.196 | 5% | 0.052 | C | C | . | . | G | 310 helix | trans | -52.6 | -30.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1078 T1082 M1083 V1084 | R1078-G1080 PolarHBondContact O-N 3Å; G1080-T1082 PolarHBondContact O-N 3.08Å; G1080-T1082 VanDerWaalsContact O-N 3.08Å; G1080-M1083 WeakPolarHBondContact O-CB 3.48Å; G1080-M1083 PolarHBondContact O-N 2.93Å; G1080-V1084 PolarHBondContact O-N 3.43Å |
| 1081 | H | 96.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 9.8 Ų | 9.8 | 22% | 0.218 | 5% | 0.053 | C | C | . | . | G | 310 helix | trans | -58.7 | -23.4 | 176.3 | -60.9 | 149.1 | 0 | 0 | 0 | 113.9 | R1078 F1079 L1142 L1146 L1161 N1165 | R1078-H1081 WeakPolarHBondContact O-CB 3.29Å; R1078-H1081 PolarHBondContact O-N 3.41Å; R1078-H1081 PolarHBondContact O-ND1 2.99Å; F1079-H1081 PolarHBondContact O-N 3.02Å; F1079-H1081 VanDerWaalsContact O-N 3.1Å; H1081-L1142 HydrophobicContact CB-CD2 3.97Å; H1081-L1146 WeakPolarHBondContact O-CD1 3.4Å; H1081-L1161 HydrophobicContact CB-CD2 4.38Å; H1081-N1165 PolarHBondContact CE1-ND2 2.79Å; H1081-N1165 PolarHBondContact ND1-ND2 3.02Å |
| 1082 | T | 96.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.006 | 7% | 0.065 | C | C | . | . | G | 310 helix | trans | -78.4 | -23.2 | 176.3 | 63.3 | 0 | 0 | 0 | 0 | 113.3 | F1079 G1080 R1134 R1136 S1141 L1142 I1229 | F1079-T1082 WeakPolarHBondContact O-CB 3.16Å; F1079-T1082 PolarHBondContact O-N 2.93Å; F1079-T1082 PolarHBondContact O-OG1 2.98Å; G1080-T1082 PolarHBondContact O-N 3.08Å; G1080-T1082 VanDerWaalsContact O-N 3.08Å; T1082-R1134 PolarHBondContact O-NH1 2.89Å; T1082-R1136 WeakPolarHBondContact OG1-CD 3.42Å; T1082-R1136 WeakPolarHBondContact OG1-CG 3.45Å; T1082-R1136 PolarHBondContact OG1-NE 3.43Å; T1082-S1141 WeakPolarHBondContact CB-O 3.35Å; T1082-S1141 WeakPolarHBondContact CG2-O 3.47Å; T1082-L1142 HydrophobicContact CG2-CD1 3.96Å; T1082-L1142 HydrophobicContact CG2-CG 4.43Å; T1082-I1229 HydrophobicContact CG2-CD1 3.7Å; T1082-I1229 HydrophobicContact CG2-CG2 3.85Å |
| 1083 | M | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -12.3 | -178.6 | -59.8 | -167.1 | -64.1 | 0 | 0 | 112.9 | L827 M828 I1045 F1079 G1080 P1085 I1133 R1134 R1136 R1238 | L827-M1083 HydrophobicContact CD2-SD 4.49Å; M828-M1083 HydrophobicContact CB-CB 3.99Å; M828-M1083 HydrophobicContact CB-CE 4.48Å; M828-M1083 HydrophobicContact CG-CB 3.96Å; I1045-M1083 HydrophobicContact CD1-CE 4.14Å; I1045-M1083 HydrophobicContact CD1-SD 4.35Å; F1079-M1083 HydrophobicContact CD2-CE 4.23Å; F1079-M1083 HydrophobicContact CE2-CE 3.47Å; F1079-M1083 VanDerWaalsContact CE2-CE 3.47Å; F1079-M1083 HydrophobicContact CE2-SD 4Å; F1079-M1083 HydrophobicContact CZ-CE 4.05Å; G1080-M1083 WeakPolarHBondContact O-CB 3.48Å; G1080-M1083 PolarHBondContact O-N 2.93Å; M1083-P1085 VanDerWaalsContact O-CD 3.23Å; M1083-P1085 WeakPolarHBondContact O-CD 3.33Å; M1083-I1133 HydrophobicContact CB-CB 4.22Å; M1083-I1133 HydrophobicContact CB-CD1 4.17Å; M1083-I1133 HydrophobicContact CB-CG2 4.42Å; M1083-I1133 HydrophobicContact CG-CD1 4.01Å; M1083-I1133 WeakPolarHBondContact O-CB 3.3Å; M1083-I1133 HydrophobicContact SD-CD1 3.76Å; M1083-R1134 PolarHBondContact O-N 3.19Å; M1083-R1136 HydrophobicContact CG-CG 3.94Å; M1083-R1238 HydrophobicContact SD-CB 4.12Å; M1083-R1238 HydrophobicContact SD-CG 4.3Å |
| 1084 | V | 95.6 | Very high | 95.5 | Very high | 17 Ų | 17 | 21.7 Ų | 21.7 | 10% | 0.103 | 11% | 0.113 | C | C | . | . | trans | -64.6 | 120.1 | -176.8 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | M828 G1080 L1105 N1143 L1146 | M828-V1084 HydrophobicContact CE-CG1 4.48Å; M828-V1084 HydrophobicContact CE-CG2 4.49Å; M828-V1084 HydrophobicContact CG-CG2 4.01Å; M828-V1084 HydrophobicContact SD-CG2 3.92Å; G1080-V1084 PolarHBondContact O-N 3.43Å; V1084-L1105 HydrophobicContact CG1-CD1 4.44Å; V1084-L1105 HydrophobicContact CG1-CD2 3.56Å; V1084-N1143 PolarHBondContact O-ND2 2.91Å; V1084-L1146 HydrophobicContact CB-CD1 3.85Å; V1084-L1146 HydrophobicContact CG1-CD1 4.14Å; V1084-L1146 HydrophobicContact CG2-CD1 4.11Å | ||
| 1085 | P | 94.2 | Very high | 95.3 | Very high | 12 Ų | 12 | 22.5 Ų | 22.5 | 8% | 0.078 | 12% | 0.116 | C | C | . | . | trans | -62 | 142.4 | 168.9 | -26 | 38.9 | 0 | 0 | 0 | 111.2 | F817 M1083 I1087 | F817-P1085 HydrophobicContact CE1-CB 4.11Å; F817-P1085 HydrophobicContact CE2-CB 4.23Å; F817-P1085 HydrophobicContact CZ-CB 3.59Å; F817-P1085 HydrophobicContact CZ-CG 4.19Å; M1083-P1085 VanDerWaalsContact O-CD 3.23Å; M1083-P1085 WeakPolarHBondContact O-CD 3.33Å; P1085-I1087 WeakPolarHBondContact CB-O 3.45Å; P1085-I1087 PolarHBondContact O-N 3.48Å | ||
| 1086 | P | 93.7 | Very high | 95 | Very high | 6 Ų | 6 | 28 Ų | 28 | 4% | 0.039 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -75 | 0.9 | 173.9 | 33.7 | -36.1 | 0 | 0 | 0 | 113.2 | L761 F817 L1105 N1143 E1145 | L761-P1086 HydrophobicContact CD1-CG 4.15Å; L761-P1086 HydrophobicContact CD2-CB 3.54Å; L761-P1086 HydrophobicContact CD2-CG 4.06Å; F817-P1086 HydrophobicContact CB-CG 3.94Å; F817-P1086 HydrophobicContact CD1-CG 3.87Å; F817-P1086 HydrophobicContact CD2-CG 4.34Å; F817-P1086 HydrophobicContact CE1-CG 4.47Å; F817-P1086 HydrophobicContact CG-CG 3.79Å; P1086-L1105 PolarHBondContact O-N 3.37Å; P1086-N1143 HydrophobicContact CB-CB 4.17Å; P1086-E1145 HydrophobicContact CB-CB 4.48Å; P1086-E1145 HydrophobicContact CB-CG 3.87Å |
| 1087 | I | 94.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 134.5 | -174.7 | -61.5 | 169.2 | 0 | 0 | 0 | 108.4 | L761 V765 L816 F817 P1085 F1089 H1102 L1103 | L761-I1087 HydrophobicContact CD1-CD1 4.12Å; L761-I1087 HydrophobicContact CD1-CG1 4.38Å; V765-I1087 HydrophobicContact CG2-CD1 3.39Å; V765-I1087 HydrophobicContact CG2-CG1 3.83Å; L816-I1087 HydrophobicContact CB-CD1 3.45Å; L816-I1087 VanDerWaalsContact CB-CD1 3.45Å; L816-I1087 HydrophobicContact CD1-CD1 3.77Å; L816-I1087 HydrophobicContact CG-CD1 4.13Å; F817-I1087 HydrophobicContact CD1-CD1 4.09Å; F817-I1087 HydrophobicContact CE1-CD1 4.49Å; P1085-I1087 WeakPolarHBondContact CB-O 3.45Å; P1085-I1087 PolarHBondContact O-N 3.48Å; I1087-F1089 HydrophobicContact CG2-CD1 4.28Å; I1087-F1089 HydrophobicContact CG2-CE1 4.28Å; I1087-F1089 HydrophobicContact CG2-CG 4.44Å; I1087-F1089 HydrophobicContact CG2-CZ 4.46Å; I1087-H1102 HydrophobicContact CG2-CB 3.63Å; I1087-L1103 CarbonylContact C-O 3.58Å; I1087-L1103 WeakPolarHBondContact CA-O 3.22Å |
| 1088 | V | 94.8 | Very high | 94.4 | Very high | 20 Ų | 20 | 29.2 Ų | 29.2 | 12% | 0.121 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 104.7 | 165.7 | -178.9 | 0 | 0 | 0 | 0 | 108 | L1103 L1105 A1108 I1124 | V1088-L1103 HydrophobicContact CB-CB 4.36Å; V1088-L1103 PolarHBondContact N-O 3.36Å; V1088-L1103 PolarHBondContact O-N 3.24Å; V1088-L1105 HydrophobicContact CG2-CD1 4.06Å; V1088-A1108 HydrophobicContact CB-CB 4.27Å; V1088-A1108 HydrophobicContact CG2-CB 3.55Å; V1088-I1124 HydrophobicContact CG1-CD1 4.03Å; V1088-I1124 HydrophobicContact CG1-CG2 4.38Å |
| 1089 | F | 95.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 31.6 Ų | 31.6 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | trans | -70.4 | 142 | 176.1 | -66.7 | -80.3 | 0 | 0 | 0 | 110.8 | L816 F817 I1087 H1102 N1131 | L816-F1089 HydrophobicContact CD1-CE1 4.13Å; F817-F1089 HydrophobicContact CD1-CZ 4.46Å; F817-F1089 AromaticContact CE1-CE2 3.54Å; F817-F1089 HydrophobicContact CE1-CE2 3.54Å; F817-F1089 AromaticContact CE1-CZ 3.58Å; F817-F1089 HydrophobicContact CE1-CZ 3.58Å; F817-F1089 AromaticContact CZ-CE2 3.96Å; F817-F1089 HydrophobicContact CZ-CE2 3.96Å; F817-F1089 HydrophobicContact CZ-CZ 4.35Å; I1087-F1089 HydrophobicContact CG2-CD1 4.28Å; I1087-F1089 HydrophobicContact CG2-CE1 4.28Å; I1087-F1089 HydrophobicContact CG2-CG 4.44Å; I1087-F1089 HydrophobicContact CG2-CZ 4.46Å; F1089-H1102 AromaticContact CD1-CD2 3.72Å; F1089-H1102 AromaticContact CD1-CE1 3.86Å; F1089-H1102 AromaticContact CD1-NE2 3.65Å; F1089-N1131 HydrophobicContact CB-CB 4.27Å; F1089-N1131 VanDerWaalsContact CB-OD1 3.32Å; F1089-N1131 WeakPolarHBondContact CB-OD1 3.4Å; F1089-N1131 HydrophobicContact CD1-CB 4.4Å; F1089-N1131 WeakPolarHBondContact CD1-ND2 3.48Å; F1089-N1131 HydrophobicContact CD2-CB 3.32Å; F1089-N1131 VanDerWaalsContact CD2-CG 3.45Å; F1089-N1131 WeakPolarHBondContact CE1-ND2 3.21Å; F1089-N1131 HydrophobicContact CE2-CB 3.55Å; F1089-N1131 HydrophobicContact CG-CB 3.77Å; F1089-N1131 WeakPolarHBondContact CG-OD1 3.47Å; F1089-N1131 HydrophobicContact CZ-CB 4.2Å | ||
| 1090 | R | 95.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | trans | -138.2 | 111.5 | -175.7 | -55.7 | -167.8 | -67.5 | 178.7 | -3.6 | 109 | T1097 I1098 Q1100 G1101 H1102 D1118 P1123 I1124 | R1090-T1097 WeakPolarHBondContact O-CA 3.3Å; R1090-I1098 HydrophobicContact CB-CD1 3.68Å; R1090-I1098 HydrophobicContact CB-CG1 3.77Å; R1090-I1098 HydrophobicContact CG-CD1 4.44Å; R1090-I1098 PolarHBondContact O-N 3.1Å; R1090-I1098 VanDerWaalsContact O-N 3.12Å; R1090-Q1100 PolarHBondContact NH2-O 2.97Å; R1090-G1101 PolarHBondContact NE-O 3.39Å; R1090-G1101 PolarHBondContact NH2-O 2.85Å; R1090-H1102 PolarHBondContact N-ND1 2.83Å; R1090-H1102 VanDerWaalsContact N-ND1 3.16Å; R1090-D1118 IonicContact CZ-OD2 3.79Å; R1090-D1118 IonicContact NH1-OD2 2.67Å; R1090-D1118 PolarHBondContact NH1-OD2 2.96Å; R1090-P1123 WeakPolarHBondContact CA-O 3.4Å; R1090-P1123 HydrophobicContact CB-CB 4.15Å; R1090-I1124 HydrophobicContact CG-CD1 3.77Å | ||
| 1091 | L | 94.7 | Very high | 93.3 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -119.8 | 138.4 | -171.8 | -53 | 178.6 | 0 | 0 | 0 | 112.4 | W1095 E1096 P1123 R1126 F1130 | L1091-W1095 HydrophobicContact CD1-CE3 4.3Å; L1091-E1096 CarbonylContact C-O 3.52Å; L1091-E1096 WeakPolarHBondContact CA-O 3.21Å; L1091-P1123 PolarHBondContact N-O 3.26Å; L1091-P1123 WeakPolarHBondContact O-CA 3.4Å; L1091-R1126 HydrophobicContact CB-CB 3.84Å; L1091-R1126 HydrophobicContact CD1-CB 4.43Å; L1091-R1126 PolarHBondContact O-NH1 3Å; L1091-F1130 HydrophobicContact CD1-CB 3.69Å; L1091-F1130 HydrophobicContact CD1-CD1 4.05Å; L1091-F1130 HydrophobicContact CD1-CG 4.06Å |
| 1092 | N | 93.3 | Very high | 93.2 | Very high | 45 Ų | 45 | 32.7 Ų | 32.7 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | trans | -75.7 | -175.9 | 174.7 | 68.9 | 17.5 | 0 | 0 | 0 | 111.4 | N1094 W1095 E1096 I1098 R1126 | N1092-N1094 PolarHBondContact O-N 2.91Å; N1092-N1094 WeakPolarHBondContact OD1-CA 3.44Å; N1092-N1094 WeakPolarHBondContact OD1-CB 3.37Å; N1092-N1094 PolarHBondContact OD1-N 3.45Å; N1092-W1095 PolarHBondContact O-N 3.29Å; N1092-W1095 PolarHBondContact OD1-N 3.09Å; N1092-E1096 VanDerWaalsContact CG-O 3.29Å; N1092-E1096 PolarHBondContact N-O 2.98Å; N1092-E1096 PolarHBondContact OD1-N 3.11Å; N1092-E1096 PolarHBondContact OD1-O 3.24Å; N1092-I1098 HydrophobicContact CB-CG2 4.11Å; N1092-R1126 WeakPolarHBondContact O-CD 3.37Å; N1092-R1126 PolarHBondContact O-NE 2.96Å | ||
| 1093 | E | 92.6 | Very high | 93 | Very high | 116 Ų | 116 | 32.9 Ų | 32.9 | 54% | 0.542 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.5 | 179.8 | -60.3 | 178.1 | 172.5 | 0 | 0 | 114.1 | N1293 | E1093-N1293 PolarHBondContact OE1-ND2 3.43Š|
| 1094 | N | 92.2 | Very high | 92.9 | Very high | 88 Ų | 88 | 33 Ų | 33 | 47% | 0.471 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 5.5 | 176.3 | -65.6 | -38.3 | 0 | 0 | 0 | 113.4 | N1092 E1096 | N1092-N1094 PolarHBondContact O-N 2.91Å; N1092-N1094 WeakPolarHBondContact OD1-CA 3.44Å; N1092-N1094 WeakPolarHBondContact OD1-CB 3.37Å; N1092-N1094 PolarHBondContact OD1-N 3.45Å; N1094-E1096 HydrophobicContact CB-CG 4.24Å; N1094-E1096 PolarHBondContact O-N 3.41Å |
| 1095 | W | 92.8 | Very high | 92.8 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 65.4 | 25.2 | -174.7 | -55.3 | 82.4 | 0 | 0 | 0 | 113.9 | L1091 N1092 R1126 L1129 F1130 E1296 L1311 | L1091-W1095 HydrophobicContact CD1-CE3 4.3Å; N1092-W1095 PolarHBondContact O-N 3.29Å; N1092-W1095 PolarHBondContact OD1-N 3.09Å; W1095-R1126 HydrophobicContact CE3-CB 4.16Å; W1095-R1126 HydrophobicContact CE3-CG 4.46Å; W1095-R1126 HydrophobicContact CH2-CB 4.42Å; W1095-R1126 HydrophobicContact CH2-CG 4.15Å; W1095-R1126 HydrophobicContact CZ2-CG 4.45Å; W1095-R1126 HydrophobicContact CZ3-CB 3.93Å; W1095-R1126 HydrophobicContact CZ3-CG 4.15Å; W1095-L1129 HydrophobicContact CH2-CB 4.46Å; W1095-L1129 HydrophobicContact CH2-CD1 4.38Å; W1095-L1129 HydrophobicContact CZ3-CB 4.26Å; W1095-F1130 HydrophobicContact CD2-CD2 4.19Å; W1095-F1130 HydrophobicContact CE3-CB 3.76Å; W1095-F1130 AromaticContact CE3-CD2 3.45Å; W1095-F1130 HydrophobicContact CE3-CD2 3.45Å; W1095-F1130 VanDerWaalsContact CE3-CD2 3.45Å; W1095-F1130 HydrophobicContact CE3-CE2 4.27Å; W1095-F1130 AromaticContact CE3-CG 3.81Å; W1095-F1130 HydrophobicContact CE3-CG 3.81Å; W1095-F1130 HydrophobicContact CZ3-CB 3.86Å; W1095-F1130 AromaticContact CZ3-CD2 3.96Å; W1095-F1130 HydrophobicContact CZ3-CD2 3.96Å; W1095-F1130 HydrophobicContact CZ3-CG 4.3Å; W1095-E1296 HydrophobicContact CZ2-CB 4.28Å; W1095-E1296 WeakPolarHBondContact CZ2-O 3.35Å; W1095-L1311 HydrophobicContact CD2-CD1 3.55Å; W1095-L1311 HydrophobicContact CE3-CD1 4.04Å; W1095-L1311 HydrophobicContact CG-CD1 4.06Å; W1095-L1311 HydrophobicContact CH2-CD1 3.93Å; W1095-L1311 HydrophobicContact CH2-CD2 4.18Å; W1095-L1311 HydrophobicContact CZ2-CD1 3.45Å; W1095-L1311 VanDerWaalsContact CZ2-CD1 3.45Å; W1095-L1311 HydrophobicContact CZ2-CD2 4.39Å; W1095-L1311 HydrophobicContact CZ3-CD1 4.2Å; W1095-L1311 HydrophobicContact CZ3-CD2 4.49Å |
| 1096 | E | 91.5 | Very high | 92.6 | Very high | 117 Ų | 117 | 33.1 Ų | 33.1 | 55% | 0.547 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -106.6 | 158.3 | 175 | -57.7 | 175.4 | 146.7 | 0 | 0 | 110.1 | L1091 N1092 N1094 I1098 | L1091-E1096 CarbonylContact C-O 3.52Å; L1091-E1096 WeakPolarHBondContact CA-O 3.21Å; N1092-E1096 VanDerWaalsContact CG-O 3.29Å; N1092-E1096 PolarHBondContact N-O 2.98Å; N1092-E1096 PolarHBondContact OD1-N 3.11Å; N1092-E1096 PolarHBondContact OD1-O 3.24Å; N1094-E1096 HydrophobicContact CB-CG 4.24Å; N1094-E1096 PolarHBondContact O-N 3.41Å; E1096-I1098 PolarHBondContact O-N 3.21Å |
| 1097 | T | 91.5 | Very high | 92.4 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 10% | 0.104 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -57.2 | 134.4 | 177.8 | -53.1 | 0 | 0 | 0 | 0 | 112 | Y768 R1090 H1102 | Y768-T1097 HydrophobicContact CE1-CG2 4.28Å; Y768-T1097 PolarHBondContact OH-OG1 3.42Å; Y768-T1097 VanDerWaalsContact OH-OG1 3.05Å; R1090-T1097 WeakPolarHBondContact O-CA 3.3Å; T1097-H1102 WeakPolarHBondContact CG2-CE1 3.3Å; T1097-H1102 PolarHBondContact OG1-CE1 3.23Å; T1097-H1102 PolarHBondContact OG1-NE2 2.98Å; T1097-H1102 VanDerWaalsContact OG1-NE2 3.08Å |
| 1098 | I | 91.9 | Very high | 92.2 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 8% | 0.077 | 18% | 0.175 | C | C | . | . | trans | -64.4 | 159.1 | 173.7 | 67 | 171.8 | 0 | 0 | 0 | 111.7 | R1090 N1092 E1096 Q1100 G1101 P1123 | R1090-I1098 HydrophobicContact CB-CD1 3.68Å; R1090-I1098 HydrophobicContact CB-CG1 3.77Å; R1090-I1098 HydrophobicContact CG-CD1 4.44Å; R1090-I1098 PolarHBondContact O-N 3.1Å; R1090-I1098 VanDerWaalsContact O-N 3.12Å; N1092-I1098 HydrophobicContact CB-CG2 4.11Å; E1096-I1098 PolarHBondContact O-N 3.21Å; I1098-Q1100 HydrophobicContact CD1-CB 4.15Å; I1098-Q1100 HydrophobicContact CG1-CB 4.35Å; I1098-Q1100 PolarHBondContact O-N 3.26Å; I1098-Q1100 VanDerWaalsContact O-N 3.07Å; I1098-G1101 PolarHBondContact O-N 3.48Å; I1098-P1123 HydrophobicContact CG2-CB 4.01Å; I1098-P1123 HydrophobicContact CG2-CG 4.27Å | ||
| 1099 | D | 86.8 | Confident | 91.9 | Very high | 92 Ų | 92 | 34.7 Ų | 34.7 | 49% | 0.492 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.7 | -177.2 | -73.2 | -19.2 | 0 | 0 | 0 | 114.5 | K776 G1101 | K776-D1099 HydrophobicContact CD-CB 4.47Å; K776-D1099 VanDerWaalsContact NZ-CG 3.3Å; K776-D1099 IonicContact NZ-OD1 3.08Å; K776-D1099 IonicContact NZ-OD2 2.66Å; K776-D1099 PolarHBondContact NZ-OD2 3.13Å; D1099-G1101 PolarHBondContact O-N 3.19Å |
| 1100 | Q | 88.7 | Confident | 91.3 | Very high | 84 Ų | 84 | 34.2 Ų | 34.2 | 39% | 0.393 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -10.7 | 179 | -62.7 | 81.1 | -7.9 | 0 | 0 | 112.6 | R1090 I1098 | R1090-Q1100 PolarHBondContact NH2-O 2.97Å; I1098-Q1100 HydrophobicContact CD1-CB 4.15Å; I1098-Q1100 HydrophobicContact CG1-CB 4.35Å; I1098-Q1100 PolarHBondContact O-N 3.26Å; I1098-Q1100 VanDerWaalsContact O-N 3.07Å |
| 1101 | G | 91.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | trans | 81.4 | -168 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | N769 R1090 I1098 D1099 | N769-G1101 VanDerWaalsContact OD1-CA 3.25Å; N769-G1101 WeakPolarHBondContact OD1-CA 3.47Å; R1090-G1101 PolarHBondContact NE-O 3.39Å; R1090-G1101 PolarHBondContact NH2-O 2.85Å; I1098-G1101 PolarHBondContact O-N 3.48Å; D1099-G1101 PolarHBondContact O-N 3.19Å | ||
| 1102 | H | 94.1 | Very high | 90.5 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -89.9 | 160.6 | 171.5 | -57.6 | -39.1 | 0 | 0 | 0 | 111.6 | Y768 N769 I1087 F1089 R1090 T1097 | Y768-H1102 AromaticContact CE1-CD2 3.56Å; Y768-H1102 AromaticContact CE1-NE2 3.63Å; N769-H1102 PolarHBondContact ND2-O 3.12Å; N769-H1102 PolarHBondContact OD1-N 3.48Å; I1087-H1102 HydrophobicContact CG2-CB 3.63Å; F1089-H1102 AromaticContact CD1-CD2 3.72Å; F1089-H1102 AromaticContact CD1-CE1 3.86Å; F1089-H1102 AromaticContact CD1-NE2 3.65Å; R1090-H1102 PolarHBondContact N-ND1 2.83Å; R1090-H1102 VanDerWaalsContact N-ND1 3.16Å; T1097-H1102 WeakPolarHBondContact CG2-CE1 3.3Å; T1097-H1102 PolarHBondContact OG1-CE1 3.23Å; T1097-H1102 PolarHBondContact OG1-NE2 2.98Å; T1097-H1102 VanDerWaalsContact OG1-NE2 3.08Å |
| 1103 | L | 92.9 | Very high | 90.1 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 139.9 | 175 | -61.9 | 174.7 | 0 | 0 | 0 | 110 | L989 I1087 V1088 Q1107 A1108 R1114 | L989-L1103 HydrophobicContact CD1-CD1 3.91Å; I1087-L1103 CarbonylContact C-O 3.58Å; I1087-L1103 WeakPolarHBondContact CA-O 3.22Å; V1088-L1103 HydrophobicContact CB-CB 4.36Å; V1088-L1103 PolarHBondContact N-O 3.36Å; V1088-L1103 PolarHBondContact O-N 3.24Å; L1103-Q1107 HydrophobicContact CB-CB 4.46Å; L1103-A1108 HydrophobicContact CD1-CB 4.32Å; L1103-R1114 HydrophobicContact CD1-CG 4.34Å |
| 1104 | L | 93.6 | Very high | 89.9 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 145.8 | 161 | -72.4 | 166.9 | 0 | 0 | 0 | 108.6 | L761 T762 V765 H1106 Q1107 | L761-L1104 HydrophobicContact CD2-CD2 4.07Å; L761-L1104 HydrophobicContact CG-CD2 4.05Å; T762-L1104 HydrophobicContact CG2-CD1 4.07Å; V765-L1104 HydrophobicContact CB-CD2 4.06Å; V765-L1104 HydrophobicContact CB-CG 4.4Å; V765-L1104 HydrophobicContact CG1-CD2 4.25Å; V765-L1104 HydrophobicContact CG1-CG 4.19Å; V765-L1104 HydrophobicContact CG2-CD2 3.83Å; L1104-H1106 VanDerWaalsContact C-N 3.27Å; L1104-H1106 PolarHBondContact O-N 2.84Å; L1104-Q1107 HydrophobicContact CB-CG 4.24Å; L1104-Q1107 WeakPolarHBondContact O-CB 3.46Å; L1104-Q1107 PolarHBondContact O-N 3.18Å |
| 1105 | L | 93.3 | Very high | 89.7 | Confident | 10 Ų | 10 | 25.9 Ų | 25.9 | 5% | 0.052 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -55.5 | -40.6 | -172.6 | -178.8 | 65.3 | 0 | 0 | 0 | 112.6 | V1084 P1086 V1088 Q1107 A1108 F1109 E1145 L1146 | V1084-L1105 HydrophobicContact CG1-CD1 4.44Å; V1084-L1105 HydrophobicContact CG1-CD2 3.56Å; P1086-L1105 PolarHBondContact O-N 3.37Å; V1088-L1105 HydrophobicContact CG2-CD1 4.06Å; L1105-Q1107 PolarHBondContact O-N 3.13Å; L1105-Q1107 VanDerWaalsContact O-N 3.1Å; L1105-A1108 PolarHBondContact O-N 3.15Å; L1105-F1109 HydrophobicContact CD1-CE1 4.17Å; L1105-F1109 HydrophobicContact CD1-CZ 4.08Å; L1105-F1109 HydrophobicContact CD2-CE2 4.46Å; L1105-F1109 HydrophobicContact CD2-CZ 3.84Å; L1105-F1109 HydrophobicContact CG-CE1 4.17Å; L1105-F1109 HydrophobicContact CG-CE2 3.98Å; L1105-F1109 HydrophobicContact CG-CZ 3.57Å; L1105-E1145 HydrophobicContact CB-CB 3.98Å; L1105-E1145 HydrophobicContact CB-CG 4.33Å; L1105-E1145 HydrophobicContact CD2-CB 4.28Å; L1105-E1145 PolarHBondContact N-OE2 2.82Å; L1105-L1146 HydrophobicContact CD2-CD2 3.68Å; L1105-L1146 HydrophobicContact CD2-CG 4.07Å |
| 1106 | H | 90.3 | Very high | 89.2 | Confident | 20 Ų | 20 | 27.9 Ų | 27.9 | 9% | 0.093 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -62.5 | -19.9 | 178.7 | 73.2 | -89.5 | 0 | 0 | 0 | 114.5 | L1104 E1145 R1149 A1152 M1153 | L1104-H1106 VanDerWaalsContact C-N 3.27Å; L1104-H1106 PolarHBondContact O-N 2.84Å; H1106-E1145 IonicContact CE1-OE2 2.71Å; H1106-E1145 IonicContact CG-OE2 2.96Å; H1106-E1145 PolarHBondContact N-OE2 2.83Å; H1106-E1145 VanDerWaalsContact N-OE2 3.11Å; H1106-E1145 IonicContact ND1-OE1 3.29Å; H1106-E1145 IonicContact ND1-OE2 2.71Å; H1106-E1145 PolarHBondContact ND1-OE2 3.15Å; H1106-R1149 HydrophobicContact CB-CB 4.04Å; H1106-R1149 WeakPolarHBondContact CB-O 3.35Å; H1106-A1152 HydrophobicContact CB-CB 4.46Å; H1106-M1153 VanDerWaalsContact O-CG 3.24Å; H1106-M1153 WeakPolarHBondContact O-CG 3.21Å |
| 1107 | Q | 90 | Very high | 88.8 | Confident | 58 Ų | 58 | 27 Ų | 27 | 27% | 0.271 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -86.7 | -12.5 | 178 | -56.4 | 175 | -29.1 | 0 | 0 | 112.8 | L1103 L1104 L1105 | L1103-Q1107 HydrophobicContact CB-CB 4.46Å; L1104-Q1107 HydrophobicContact CB-CG 4.24Å; L1104-Q1107 WeakPolarHBondContact O-CB 3.46Å; L1104-Q1107 PolarHBondContact O-N 3.18Å; L1105-Q1107 PolarHBondContact O-N 3.13Å; L1105-Q1107 VanDerWaalsContact O-N 3.1Å |
| 1108 | A | 90.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -8.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | L989 V1088 L1103 L1105 | L989-A1108 HydrophobicContact CD1-CB 4.13Å; L989-A1108 HydrophobicContact CG-CB 4.15Å; V1088-A1108 HydrophobicContact CB-CB 4.27Å; V1088-A1108 HydrophobicContact CG2-CB 3.55Å; L1103-A1108 HydrophobicContact CD1-CB 4.32Å; L1105-A1108 PolarHBondContact O-N 3.15Å |
| 1109 | F | 87.7 | Confident | 88.1 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.026 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -72.9 | 129 | 174.5 | -63.7 | -52.8 | 0 | 0 | 0 | 110.9 | E987 N988 L1105 A1111 L1146 L1150 F1151 | E987-F1109 WeakPolarHBondContact O-CA 3.46Å; E987-F1109 WeakPolarHBondContact O-CD1 3.34Å; E987-F1109 WeakPolarHBondContact OE1-CD1 3.49Å; E987-F1109 WeakPolarHBondContact OE1-CE1 3.28Å; N988-F1109 HydrophobicContact CB-CD1 4.11Å; N988-F1109 HydrophobicContact CB-CE1 4.37Å; L1105-F1109 HydrophobicContact CD1-CE1 4.17Å; L1105-F1109 HydrophobicContact CD1-CZ 4.08Å; L1105-F1109 HydrophobicContact CD2-CE2 4.46Å; L1105-F1109 HydrophobicContact CD2-CZ 3.84Å; L1105-F1109 HydrophobicContact CG-CE1 4.17Å; L1105-F1109 HydrophobicContact CG-CE2 3.98Å; L1105-F1109 HydrophobicContact CG-CZ 3.57Å; F1109-A1111 VanDerWaalsContact C-N 3.3Å; F1109-A1111 PolarHBondContact O-N 2.91Å; F1109-L1146 HydrophobicContact CZ-CD2 4.16Å; F1109-L1150 HydrophobicContact CE2-CD1 4.05Å; F1109-L1150 HydrophobicContact CZ-CD1 4.02Å; F1109-F1151 HydrophobicContact CB-CD1 3.88Å; F1109-F1151 HydrophobicContact CB-CE1 4.09Å; F1109-F1151 HydrophobicContact CD1-CD1 4.46Å; F1109-F1151 HydrophobicContact CD1-CE1 4.01Å; F1109-F1151 AromaticContact CD2-CD1 3.81Å; F1109-F1151 HydrophobicContact CD2-CD1 3.81Å; F1109-F1151 HydrophobicContact CD2-CE1 4.11Å; F1109-F1151 HydrophobicContact CE1-CE1 4.46Å; F1109-F1151 HydrophobicContact CE2-CD1 4.46Å; F1109-F1151 AromaticContact CG-CD1 3.82Å; F1109-F1151 HydrophobicContact CG-CD1 3.82Å; F1109-F1151 AromaticContact CG-CE1 3.83Å; F1109-F1151 HydrophobicContact CG-CE1 3.83Å |
| 1110 | F | 82 | Confident | 88.1 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.018 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 47.9 | -178.8 | -51.2 | -65.1 | 0 | 0 | 0 | 113.4 | I587 F591 C966 A968 N986 E987 P1112 F1151 | I587-F1110 HydrophobicContact CG2-CD2 3.55Å; I587-F1110 HydrophobicContact CG2-CE2 3.19Å; I587-F1110 HydrophobicContact CG2-CZ 4.05Å; F591-F1110 AromaticContact CD1-CE1 3.54Å; F591-F1110 HydrophobicContact CD1-CE1 3.54Å; F591-F1110 HydrophobicContact CD1-CZ 4.01Å; F591-F1110 HydrophobicContact CD2-CD1 4.3Å; F591-F1110 AromaticContact CD2-CE1 3.32Å; F591-F1110 HydrophobicContact CD2-CE1 3.32Å; F591-F1110 AromaticContact CD2-CE2 3.83Å; F591-F1110 HydrophobicContact CD2-CE2 3.83Å; F591-F1110 AromaticContact CD2-CZ 3Å; F591-F1110 HydrophobicContact CD2-CZ 3Å; F591-F1110 AromaticContact CE1-CD1 3.71Å; F591-F1110 HydrophobicContact CE1-CD1 3.71Å; F591-F1110 AromaticContact CE1-CE1 3.13Å; F591-F1110 HydrophobicContact CE1-CE1 3.13Å; F591-F1110 AromaticContact CE1-CZ 3.95Å; F591-F1110 HydrophobicContact CE1-CZ 3.95Å; F591-F1110 AromaticContact CE2-CD1 3.5Å; F591-F1110 HydrophobicContact CE2-CD1 3.5Å; F591-F1110 VanDerWaalsContact CE2-CD1 3.5Å; F591-F1110 HydrophobicContact CE2-CD2 4.12Å; F591-F1110 AromaticContact CE2-CE1 2.93Å; F591-F1110 HydrophobicContact CE2-CE1 2.93Å; F591-F1110 AromaticContact CE2-CE2 3.6Å; F591-F1110 HydrophobicContact CE2-CE2 3.6Å; F591-F1110 HydrophobicContact CE2-CG 4.08Å; F591-F1110 AromaticContact CE2-CZ 2.98Å; F591-F1110 HydrophobicContact CE2-CZ 2.98Å; F591-F1110 AromaticContact CG-CE1 3.65Å; F591-F1110 HydrophobicContact CG-CE1 3.65Å; F591-F1110 AromaticContact CG-CZ 3.6Å; F591-F1110 HydrophobicContact CG-CZ 3.6Å; F591-F1110 AromaticContact CZ-CD1 3.15Å; F591-F1110 HydrophobicContact CZ-CD1 3.15Å; F591-F1110 AromaticContact CZ-CE1 2.83Å; F591-F1110 HydrophobicContact CZ-CE1 2.83Å; F591-F1110 HydrophobicContact CZ-CE2 4.3Å; F591-F1110 HydrophobicContact CZ-CG 4.06Å; F591-F1110 AromaticContact CZ-CZ 3.49Å; F591-F1110 HydrophobicContact CZ-CZ 3.49Å; F591-F1110 VanDerWaalsContact CZ-CZ 3.49Å; C966-F1110 HydrophobicContact CB-CB 4.48Å; A968-F1110 HydrophobicContact CB-CB 4.1Å; N986-F1110 HydrophobicContact CB-CD1 4.29Å; N986-F1110 WeakPolarHBondContact O-CD1 3.38Å; N986-F1110 WeakPolarHBondContact O-CE1 3.25Å; N986-F1110 PolarHBondContact O-N 3.34Å; E987-F1110 HydrophobicContact CB-CE1 4.21Å; E987-F1110 HydrophobicContact CB-CZ 4.21Å; E987-F1110 HydrophobicContact CG-CZ 4.14Å; E987-F1110 PolarHBondContact O-N 3.43Å; E987-F1110 VanDerWaalsContact O-N 3.15Å; F1110-P1112 WeakPolarHBondContact O-CD 3.42Å; F1110-F1151 HydrophobicContact CD2-CD1 4.33Å; F1110-F1151 HydrophobicContact CD2-CE1 4.39Å; F1110-F1151 AromaticContact CE2-CD1 3.76Å; F1110-F1151 HydrophobicContact CE2-CD1 3.76Å; F1110-F1151 AromaticContact CE2-CE1 3.48Å; F1110-F1151 HydrophobicContact CE2-CE1 3.48Å; F1110-F1151 VanDerWaalsContact CE2-CE1 3.48Å; F1110-F1151 HydrophobicContact CE2-CG 4.45Å; F1110-F1151 AromaticContact CE2-CZ 3.94Å; F1110-F1151 HydrophobicContact CE2-CZ 3.94Å; F1110-F1151 HydrophobicContact CZ-CE1 4.15Å; F1110-F1151 HydrophobicContact CZ-CZ 4.31Å |
| 1111 | A | 86.9 | Confident | 88.4 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | trans | -118.9 | 53.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L989 F1109 D1113 R1114 | L989-A1111 HydrophobicContact CD2-CB 4.2Å; L989-A1111 WeakPolarHBondContact CD2-O 3.43Å; F1109-A1111 VanDerWaalsContact C-N 3.3Å; F1109-A1111 PolarHBondContact O-N 2.91Å; A1111-D1113 PolarHBondContact O-N 2.77Å; A1111-D1113 VanDerWaalsContact O-N 3.09Å; A1111-R1114 HydrophobicContact CB-CG 3.72Å; A1111-R1114 VanDerWaalsContact O-CB 3.23Å; A1111-R1114 WeakPolarHBondContact O-CB 3.45Å; A1111-R1114 WeakPolarHBondContact O-CG 3.25Å; A1111-R1114 PolarHBondContact O-N 3.33Å | ||
| 1112 | P | 86.9 | Confident | 88.6 | Confident | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.019 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.3 | -177 | 27.6 | -35.5 | 0 | 0 | 0 | 112.9 | C966 V975 F978 L992 F1110 R1114 L1115 L1116 | C966-P1112 HydrophobicContact CB-CG 3.53Å; V975-P1112 HydrophobicContact CB-CG 4.31Å; V975-P1112 HydrophobicContact CG1-CB 4.23Å; V975-P1112 HydrophobicContact CG1-CG 3.99Å; F978-P1112 HydrophobicContact CD2-CB 3.87Å; F978-P1112 HydrophobicContact CE2-CB 3.7Å; L992-P1112 HydrophobicContact CD2-CB 4.15Å; F1110-P1112 WeakPolarHBondContact O-CD 3.42Å; P1112-R1114 PolarHBondContact O-N 2.9Å; P1112-L1115 PolarHBondContact O-N 3.28Å; P1112-L1115 VanDerWaalsContact O-N 3.12Å; P1112-L1116 PolarHBondContact O-N 3.13Å |
| 1113 | D | 85.2 | Confident | 88.7 | Confident | 9 Ų | 9 | 21.3 Ų | 21.3 | 5% | 0.048 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.8 | -28.7 | 172.9 | 78.5 | -53 | 0 | 0 | 0 | 112.6 | V975 A1111 L1116 K1117 | V975-D1113 HydrophobicContact CB-CB 4.2Å; V975-D1113 HydrophobicContact CG2-CB 3.56Å; A1111-D1113 PolarHBondContact O-N 2.77Å; A1111-D1113 VanDerWaalsContact O-N 3.09Å; D1113-L1116 PolarHBondContact O-N 2.81Å; D1113-L1116 VanDerWaalsContact O-N 3.14Å; D1113-K1117 WeakPolarHBondContact O-CB 3.31Å; D1113-K1117 WeakPolarHBondContact O-CG 3.48Å; D1113-K1117 PolarHBondContact O-N 3.21Å; D1113-K1117 IonicContact OD2-NZ 2.99Å |
| 1114 | R | 88.1 | Confident | 88.9 | Confident | 66 Ų | 66 | 21.4 Ų | 21.4 | 25% | 0.249 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 175.3 | -60.3 | -68.9 | -179.2 | -177.7 | -2.7 | 112.3 | L989 L1103 A1111 P1112 L1116 D1118 | L989-R1114 HydrophobicContact CD1-CB 3.74Å; L989-R1114 HydrophobicContact CD1-CG 4.15Å; L989-R1114 HydrophobicContact CD2-CB 4.15Å; L1103-R1114 HydrophobicContact CD1-CG 4.34Å; A1111-R1114 HydrophobicContact CB-CG 3.72Å; A1111-R1114 VanDerWaalsContact O-CB 3.23Å; A1111-R1114 WeakPolarHBondContact O-CB 3.45Å; A1111-R1114 WeakPolarHBondContact O-CG 3.25Å; A1111-R1114 PolarHBondContact O-N 3.33Å; P1112-R1114 PolarHBondContact O-N 2.9Å; R1114-L1116 VanDerWaalsContact C-N 3.26Å; R1114-L1116 PolarHBondContact O-N 2.84Å; R1114-D1118 WeakPolarHBondContact CD-OD2 3.44Å; R1114-D1118 IonicContact CZ-OD2 2.81Å; R1114-D1118 IonicContact NE-OD2 3.64Å; R1114-D1118 IonicContact NH1-OD2 3.41Å; R1114-D1118 PolarHBondContact NH1-OD2 2.99Å; R1114-D1118 WeakPolarHBondContact O-CA 3.37Å; R1114-D1118 VanDerWaalsContact O-CB 3.3Å; R1114-D1118 WeakPolarHBondContact O-CB 3.45Å; R1114-D1118 PolarHBondContact O-N 3.07Å |
| 1115 | L | 87.5 | Confident | 89.1 | Confident | 6 Ų | 6 | 21.2 Ų | 21.2 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.6 | -33.4 | 173.8 | -91.4 | 70.6 | 0 | 0 | 0 | 111.1 | L989 L992 P1112 G1120 M1121 | L989-L1115 HydrophobicContact CB-CD1 3.99Å; L989-L1115 HydrophobicContact CD2-CD1 3.54Å; L989-L1115 HydrophobicContact CG-CD1 4.2Å; L992-L1115 HydrophobicContact CD2-CD1 4.12Å; L992-L1115 HydrophobicContact CD2-CD2 3.72Å; L992-L1115 HydrophobicContact CD2-CG 4.48Å; L992-L1115 HydrophobicContact CG-CD2 3.87Å; P1112-L1115 PolarHBondContact O-N 3.28Å; P1112-L1115 VanDerWaalsContact O-N 3.12Å; L1115-G1120 WeakPolarHBondContact O-CA 3.4Å; L1115-G1120 PolarHBondContact O-N 3.04Å; L1115-G1120 VanDerWaalsContact O-N 3.1Å; L1115-M1121 HydrophobicContact CD2-CB 4.46Å |
| 1116 | L | 83.5 | Confident | 89.3 | Confident | 60 Ų | 60 | 21.2 Ų | 21.2 | 31% | 0.314 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -79.1 | -30 | -178.9 | -60.1 | 178.8 | 0 | 0 | 0 | 113.4 | M947 L955 F958 V975 F978 P1112 D1113 R1114 | M947-L1116 HydrophobicContact CE-CD2 4.05Å; M947-L1116 HydrophobicContact SD-CD2 3.78Å; L955-L1116 HydrophobicContact CD1-CD2 3.51Å; F958-L1116 HydrophobicContact CZ-CD1 4.3Å; V975-L1116 HydrophobicContact CG1-CD1 3.7Å; V975-L1116 HydrophobicContact CG2-CD1 4.18Å; F978-L1116 HydrophobicContact CZ-CD2 4.38Å; P1112-L1116 PolarHBondContact O-N 3.13Å; D1113-L1116 PolarHBondContact O-N 2.81Å; D1113-L1116 VanDerWaalsContact O-N 3.14Å; R1114-L1116 VanDerWaalsContact C-N 3.26Å; R1114-L1116 PolarHBondContact O-N 2.84Å |
| 1117 | K | 82.7 | Confident | 89.6 | Confident | 99 Ų | 99 | 20.4 Ų | 20.4 | 43% | 0.43 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -110.5 | -30.3 | -170.7 | -65 | 172 | -179.2 | 171.6 | 0 | 114.8 | D973 D1113 | D973-K1117 WeakPolarHBondContact OD2-CE 3.44Å; D973-K1117 IonicContact OD2-NZ 2.69Å; D973-K1117 PolarHBondContact OD2-NZ 2.98Å; D1113-K1117 WeakPolarHBondContact O-CB 3.31Å; D1113-K1117 WeakPolarHBondContact O-CG 3.48Å; D1113-K1117 PolarHBondContact O-N 3.21Å; D1113-K1117 IonicContact OD2-NZ 2.99Å |
| 1118 | D | 85.7 | Confident | 90 | Very high | 20 Ų | 20 | 18.6 Ų | 18.6 | 11% | 0.107 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 29.8 | -170.4 | -63.5 | -13.6 | 0 | 0 | 0 | 112.1 | R1090 R1114 | R1090-D1118 IonicContact CZ-OD2 3.79Å; R1090-D1118 IonicContact NH1-OD2 2.67Å; R1090-D1118 PolarHBondContact NH1-OD2 2.96Å; R1114-D1118 WeakPolarHBondContact CD-OD2 3.44Å; R1114-D1118 IonicContact CZ-OD2 2.81Å; R1114-D1118 IonicContact NE-OD2 3.64Å; R1114-D1118 IonicContact NH1-OD2 3.41Å; R1114-D1118 PolarHBondContact NH1-OD2 2.99Å; R1114-D1118 WeakPolarHBondContact O-CA 3.37Å; R1114-D1118 VanDerWaalsContact O-CB 3.3Å; R1114-D1118 WeakPolarHBondContact O-CB 3.45Å; R1114-D1118 PolarHBondContact O-N 3.07Å |
| 1119 | G | 81.8 | Confident | 90.3 | Very high | 53 Ų | 53 | 18.6 Ų | 18.6 | 55% | 0.546 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 24.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | P1123 | G1119-P1123 VanDerWaalsContact O-CD 3.24Å; G1119-P1123 WeakPolarHBondContact O-CD 3.35Å |
| 1120 | G | 88.2 | Confident | 90.7 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 10% | 0.103 | 11% | 0.113 | C | C | . | . | trans | 81.1 | -160.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1115 | L1115-G1120 WeakPolarHBondContact O-CA 3.4Å; L1115-G1120 PolarHBondContact O-N 3.04Å; L1115-G1120 VanDerWaalsContact O-N 3.1Å | ||
| 1121 | M | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -82.7 | -23.1 | 177.7 | 72.4 | -175.4 | 87.8 | 0 | 0 | 113 | L955 T996 L997 R1000 L1115 I1124 L1125 | L955-M1121 HydrophobicContact CD2-CE 4.16Å; T996-M1121 HydrophobicContact CG2-CE 3.45Å; T996-M1121 VanDerWaalsContact CG2-CE 3.45Å; T996-M1121 HydrophobicContact CG2-SD 4.43Å; L997-M1121 HydrophobicContact CD2-SD 4.14Å; L997-M1121 HydrophobicContact CG-SD 4.16Å; R1000-M1121 VanDerWaalsContact NH2-CE 3.3Å; L1115-M1121 HydrophobicContact CD2-CB 4.46Å; M1121-I1124 WeakPolarHBondContact O-CA 3.24Å; M1121-I1124 WeakPolarHBondContact O-CB 3.43Å; M1121-I1124 PolarHBondContact O-N 2.89Å; M1121-L1125 HydrophobicContact CG-CD1 3.8Å; M1121-L1125 HydrophobicContact CG-CG 4.4Å; M1121-L1125 PolarHBondContact O-N 3.5Å; M1121-L1125 HydrophobicContact SD-CD1 4.02Å |
| 1122 | D | 96.2 | Very high | 91.6 | Very high | 6 Ų | 6 | 21.2 Ų | 21.2 | 3% | 0.032 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.8 | -45 | -173.5 | -90 | 29.9 | 0 | 0 | 0 | 113.7 | I1124 L1125 R1126 S1291 D1292 N1293 I1294 | D1122-I1124 VanDerWaalsContact C-N 3.26Å; D1122-I1124 PolarHBondContact O-N 3.16Å; D1122-L1125 PolarHBondContact O-N 3.46Å; D1122-R1126 WeakPolarHBondContact O-CG 3.39Å; D1122-R1126 PolarHBondContact O-N 3.28Å; D1122-R1126 IonicContact OD2-NH2 3.87Å; D1122-R1126 PolarHBondContact OD2-NH2 3.28Å; D1122-S1291 WeakPolarHBondContact OD1-CB 3.47Å; D1122-D1292 PolarHBondContact OD1-N 3.42Å; D1122-N1293 VanDerWaalsContact OD2-C 3.3Å; D1122-N1293 WeakPolarHBondContact OD2-CA 3.41Å; D1122-N1293 PolarHBondContact OD2-N 2.67Å; D1122-I1294 HydrophobicContact CB-CG1 4.39Å; D1122-I1294 PolarHBondContact OD2-N 2.85Å |
| 1123 | P | 96.5 | Very high | 92 | Very high | 7 Ų | 7 | 21 Ų | 21 | 5% | 0.045 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.2 | -35.2 | 176.2 | -24.9 | 35.3 | 0 | 0 | 0 | 114 | R1090 L1091 I1098 G1119 G1127 | R1090-P1123 WeakPolarHBondContact CA-O 3.4Å; R1090-P1123 HydrophobicContact CB-CB 4.15Å; L1091-P1123 PolarHBondContact N-O 3.26Å; L1091-P1123 WeakPolarHBondContact O-CA 3.4Å; I1098-P1123 HydrophobicContact CG2-CB 4.01Å; I1098-P1123 HydrophobicContact CG2-CG 4.27Å; G1119-P1123 VanDerWaalsContact O-CD 3.24Å; G1119-P1123 WeakPolarHBondContact O-CD 3.35Å; P1123-G1127 PolarHBondContact O-N 2.97Å; P1123-G1127 VanDerWaalsContact O-N 3.15Å |
| 1124 | I | 97 | Very high | 92.5 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.5 | -46.9 | 177.5 | -48.9 | -53.6 | 0 | 0 | 0 | 109.7 | L989 V1088 R1090 M1121 D1122 R1126 G1127 L1128 | L989-I1124 HydrophobicContact CB-CD1 4.35Å; L989-I1124 HydrophobicContact CB-CG1 4.27Å; L989-I1124 HydrophobicContact CB-CG2 4.41Å; L989-I1124 HydrophobicContact CD1-CD1 4.13Å; V1088-I1124 HydrophobicContact CG1-CD1 4.03Å; V1088-I1124 HydrophobicContact CG1-CG2 4.38Å; R1090-I1124 HydrophobicContact CG-CD1 3.77Å; M1121-I1124 WeakPolarHBondContact O-CA 3.24Å; M1121-I1124 WeakPolarHBondContact O-CB 3.43Å; M1121-I1124 PolarHBondContact O-N 2.89Å; D1122-I1124 VanDerWaalsContact C-N 3.26Å; D1122-I1124 PolarHBondContact O-N 3.16Å; I1124-R1126 PolarHBondContact O-N 2.94Å; I1124-G1127 PolarHBondContact O-N 3.45Å; I1124-L1128 HydrophobicContact CG2-CD1 4.33Å; I1124-L1128 WeakPolarHBondContact O-CG 3.29Å; I1124-L1128 PolarHBondContact O-N 3.38Å |
| 1125 | L | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 179.1 | -67.7 | 177.5 | 0 | 0 | 0 | 112.1 | M826 L997 M1121 D1122 G1127 L1128 L1129 I1287 I1294 | M826-L1125 HydrophobicContact CE-CD2 4.36Å; L997-L1125 HydrophobicContact CD1-CD1 3.8Å; L997-L1125 HydrophobicContact CD1-CD2 3.65Å; L997-L1125 HydrophobicContact CD1-CG 4.4Å; L997-L1125 HydrophobicContact CD2-CD1 4.05Å; L997-L1125 HydrophobicContact CG-CD1 4.18Å; M1121-L1125 HydrophobicContact CG-CD1 3.8Å; M1121-L1125 HydrophobicContact CG-CG 4.4Å; M1121-L1125 PolarHBondContact O-N 3.5Å; M1121-L1125 HydrophobicContact SD-CD1 4.02Å; D1122-L1125 PolarHBondContact O-N 3.46Å; L1125-G1127 VanDerWaalsContact C-N 3.31Å; L1125-G1127 PolarHBondContact O-N 3.47Å; L1125-L1128 PolarHBondContact O-N 2.75Å; L1125-L1129 VanDerWaalsContact O-CG 3.3Å; L1125-L1129 WeakPolarHBondContact O-CG 2.97Å; L1125-L1129 PolarHBondContact O-N 2.98Å; L1125-I1287 HydrophobicContact CD1-CG2 4.49Å; L1125-I1294 HydrophobicContact CB-CD1 3.64Å; L1125-I1294 HydrophobicContact CD1-CD1 4.17Å |
| 1126 | R | 97.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 4% | 0.038 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 174.1 | -68.7 | -173.1 | -162 | 93.3 | 9.7 | 111.5 | L1091 N1092 W1095 D1122 I1124 L1128 L1129 F1130 N1293 I1294 | L1091-R1126 HydrophobicContact CB-CB 3.84Å; L1091-R1126 HydrophobicContact CD1-CB 4.43Å; L1091-R1126 PolarHBondContact O-NH1 3Å; N1092-R1126 WeakPolarHBondContact O-CD 3.37Å; N1092-R1126 PolarHBondContact O-NE 2.96Å; W1095-R1126 HydrophobicContact CE3-CB 4.16Å; W1095-R1126 HydrophobicContact CE3-CG 4.46Å; W1095-R1126 HydrophobicContact CH2-CB 4.42Å; W1095-R1126 HydrophobicContact CH2-CG 4.15Å; W1095-R1126 HydrophobicContact CZ2-CG 4.45Å; W1095-R1126 HydrophobicContact CZ3-CB 3.93Å; W1095-R1126 HydrophobicContact CZ3-CG 4.15Å; D1122-R1126 WeakPolarHBondContact O-CG 3.39Å; D1122-R1126 PolarHBondContact O-N 3.28Å; D1122-R1126 IonicContact OD2-NH2 3.87Å; D1122-R1126 PolarHBondContact OD2-NH2 3.28Å; I1124-R1126 PolarHBondContact O-N 2.94Å; R1126-L1128 PolarHBondContact O-N 3.08Å; R1126-L1129 PolarHBondContact O-N 2.86Å; R1126-F1130 VanDerWaalsContact O-CB 3.26Å; R1126-F1130 WeakPolarHBondContact O-CB 3.35Å; R1126-F1130 PolarHBondContact O-N 3.07Å; R1126-N1293 PolarHBondContact NH2-O 3.47Å; R1126-N1293 VanDerWaalsContact NH2-O 3.14Å; R1126-I1294 HydrophobicContact CG-CD1 3.93Å; R1126-I1294 HydrophobicContact CG-CG1 4.17Å |
| 1127 | G | 96.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 20 Ų | 20 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.9 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1123 I1124 L1125 L1129 F1130 N1131 | P1123-G1127 PolarHBondContact O-N 2.97Å; P1123-G1127 VanDerWaalsContact O-N 3.15Å; I1124-G1127 PolarHBondContact O-N 3.45Å; L1125-G1127 VanDerWaalsContact C-N 3.31Å; L1125-G1127 PolarHBondContact O-N 3.47Å; G1127-L1129 VanDerWaalsContact C-N 3.34Å; G1127-L1129 PolarHBondContact O-N 3.13Å; G1127-F1130 PolarHBondContact O-N 3.02Å; G1127-N1131 WeakPolarHBondContact O-CB 3.24Å; G1127-N1131 PolarHBondContact O-N 3.4Å; G1127-N1131 PolarHBondContact O-OD1 2.9Å |
| 1128 | L | 97.6 | Very high | 93.1 | Very high | 20 Ų | 20 | 21.4 Ų | 21.4 | 11% | 0.105 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.2 | -32.3 | 177 | -70.5 | 171.5 | 0 | 0 | 0 | 113.3 | S824 G825 M826 Q829 I1124 L1125 R1126 | S824-L1128 WeakPolarHBondContact CB-O 3.16Å; G825-L1128 CarbonylContact C-O 3.51Å; G825-L1128 WeakPolarHBondContact CA-O 3.27Å; G825-L1128 PolarHBondContact N-O 3.24Å; M826-L1128 HydrophobicContact CE-CB 3.87Å; M826-L1128 HydrophobicContact CE-CD1 4.14Å; M826-L1128 PolarHBondContact N-O 3.17Å; Q829-L1128 HydrophobicContact CB-CD1 4.16Å; Q829-L1128 HydrophobicContact CB-CD2 4.04Å; Q829-L1128 HydrophobicContact CG-CD1 3.87Å; Q829-L1128 HydrophobicContact CG-CD2 4.45Å; I1124-L1128 HydrophobicContact CG2-CD1 4.33Å; I1124-L1128 WeakPolarHBondContact O-CG 3.29Å; I1124-L1128 PolarHBondContact O-N 3.38Å; L1125-L1128 PolarHBondContact O-N 2.75Å; R1126-L1128 PolarHBondContact O-N 3.08Å |
| 1129 | L | 97.4 | Very high | 93 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -78.8 | -33.9 | 178.5 | -70.9 | 172.4 | 0 | 0 | 0 | 112.9 | S824 M826 W1095 L1125 R1126 G1127 I1287 V1297 P1298 A1301 P1305 | S824-L1129 WeakPolarHBondContact CB-O 3.24Å; M826-L1129 HydrophobicContact CE-CD2 4.28Å; M826-L1129 HydrophobicContact CE-CG 4.49Å; W1095-L1129 HydrophobicContact CH2-CB 4.46Å; W1095-L1129 HydrophobicContact CH2-CD1 4.38Å; W1095-L1129 HydrophobicContact CZ3-CB 4.26Å; L1125-L1129 VanDerWaalsContact O-CG 3.3Å; L1125-L1129 WeakPolarHBondContact O-CG 2.97Å; L1125-L1129 PolarHBondContact O-N 2.98Å; R1126-L1129 PolarHBondContact O-N 2.86Å; G1127-L1129 VanDerWaalsContact C-N 3.34Å; G1127-L1129 PolarHBondContact O-N 3.13Å; L1129-I1287 HydrophobicContact CD1-CD1 4.22Å; L1129-I1287 HydrophobicContact CD1-CG2 4.32Å; L1129-I1287 HydrophobicContact CD2-CD1 3.88Å; L1129-I1287 HydrophobicContact CG-CD1 4.37Å; L1129-V1297 HydrophobicContact CD1-CG1 4.01Å; L1129-P1298 HydrophobicContact CB-CG 4.41Å; L1129-P1298 HydrophobicContact CD2-CG 4.02Å; L1129-A1301 HydrophobicContact CD2-CB 3.77Å; L1129-P1305 WeakPolarHBondContact O-CD 3.1Å |
| 1130 | F | 95.5 | Very high | 93.4 | Very high | 45 Ų | 45 | 21.4 Ų | 21.4 | 20% | 0.197 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -98.6 | -38.6 | -169.4 | -159.8 | -99.2 | 0 | 0 | 0 | 113.9 | L1091 W1095 R1126 G1127 P1305 L1311 | L1091-F1130 HydrophobicContact CD1-CB 3.69Å; L1091-F1130 HydrophobicContact CD1-CD1 4.05Å; L1091-F1130 HydrophobicContact CD1-CG 4.06Å; W1095-F1130 HydrophobicContact CD2-CD2 4.19Å; W1095-F1130 HydrophobicContact CE3-CB 3.76Å; W1095-F1130 AromaticContact CE3-CD2 3.45Å; W1095-F1130 HydrophobicContact CE3-CD2 3.45Å; W1095-F1130 VanDerWaalsContact CE3-CD2 3.45Å; W1095-F1130 HydrophobicContact CE3-CE2 4.27Å; W1095-F1130 AromaticContact CE3-CG 3.81Å; W1095-F1130 HydrophobicContact CE3-CG 3.81Å; W1095-F1130 HydrophobicContact CZ3-CB 3.86Å; W1095-F1130 AromaticContact CZ3-CD2 3.96Å; W1095-F1130 HydrophobicContact CZ3-CD2 3.96Å; W1095-F1130 HydrophobicContact CZ3-CG 4.3Å; R1126-F1130 VanDerWaalsContact O-CB 3.26Å; R1126-F1130 WeakPolarHBondContact O-CB 3.35Å; R1126-F1130 PolarHBondContact O-N 3.07Å; G1127-F1130 PolarHBondContact O-N 3.02Å; F1130-P1305 HydrophobicContact CD2-CG 3.64Å; F1130-P1305 HydrophobicContact CE2-CG 4.06Å; F1130-P1305 HydrophobicContact CG-CG 4.31Å; F1130-L1311 HydrophobicContact CD2-CD1 4.48Å; F1130-L1311 HydrophobicContact CE2-CD1 4.44Å |
| 1131 | N | 94.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 21.2 Ų | 21.2 | 10% | 0.102 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -88.9 | 154 | -178.9 | -65.6 | 92.6 | 0 | 0 | 0 | 111.5 | S824 G825 F1089 G1127 | S824-N1131 CarbonylContact C-O 3.44Å; S824-N1131 WeakPolarHBondContact CA-O 3.34Å; G825-N1131 PolarHBondContact N-O 3.48Å; F1089-N1131 HydrophobicContact CB-CB 4.27Å; F1089-N1131 VanDerWaalsContact CB-OD1 3.32Å; F1089-N1131 WeakPolarHBondContact CB-OD1 3.4Å; F1089-N1131 HydrophobicContact CD1-CB 4.4Å; F1089-N1131 WeakPolarHBondContact CD1-ND2 3.48Å; F1089-N1131 HydrophobicContact CD2-CB 3.32Å; F1089-N1131 VanDerWaalsContact CD2-CG 3.45Å; F1089-N1131 WeakPolarHBondContact CE1-ND2 3.21Å; F1089-N1131 HydrophobicContact CE2-CB 3.55Å; F1089-N1131 HydrophobicContact CG-CB 3.77Å; F1089-N1131 WeakPolarHBondContact CG-OD1 3.47Å; F1089-N1131 HydrophobicContact CZ-CB 4.2Å; G1127-N1131 WeakPolarHBondContact O-CB 3.24Å; G1127-N1131 PolarHBondContact O-N 3.4Å; G1127-N1131 PolarHBondContact O-OD1 2.9Å |
| 1132 | G | 93.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 159.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E819 F823 | E819-G1132 PolarHBondContact OE2-N 2.8Å; F823-G1132 VanDerWaalsContact O-CA 3.28Å; F823-G1132 WeakPolarHBondContact O-CA 3.24Å |
| 1133 | I | 95.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 170.7 | 158.1 | 60.7 | 169.7 | 0 | 0 | 0 | 110.2 | E819 D820 F823 S824 L827 M828 M1083 | E819-I1133 CarbonylContact C-O 3.45Å; E819-I1133 WeakPolarHBondContact CA-O 3.14Å; D820-I1133 HydrophobicContact CB-CD1 4.2Å; D820-I1133 HydrophobicContact CB-CG1 3.45Å; D820-I1133 VanDerWaalsContact CB-CG1 3.45Å; D820-I1133 PolarHBondContact N-O 3.17Å; F823-I1133 HydrophobicContact CB-CD1 4.24Å; F823-I1133 HydrophobicContact CB-CG1 4.3Å; F823-I1133 PolarHBondContact O-N 3.46Å; F823-I1133 VanDerWaalsContact O-N 3.1Å; S824-I1133 VanDerWaalsContact O-CG2 3.25Å; S824-I1133 WeakPolarHBondContact O-CG2 3.07Å; L827-I1133 HydrophobicContact CB-CG2 4.31Å; L827-I1133 HydrophobicContact CD2-CD1 4.21Å; M828-I1133 HydrophobicContact CB-CG2 3.72Å; M1083-I1133 HydrophobicContact CB-CB 4.22Å; M1083-I1133 HydrophobicContact CB-CD1 4.17Å; M1083-I1133 HydrophobicContact CB-CG2 4.42Å; M1083-I1133 HydrophobicContact CG-CD1 4.01Å; M1083-I1133 WeakPolarHBondContact O-CB 3.3Å; M1083-I1133 HydrophobicContact SD-CD1 3.76Å |
| 1134 | R | 94.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 21.5 Ų | 21.5 | 8% | 0.083 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 135.2 | 167.6 | -178.5 | 166.7 | 168.1 | -91.3 | -1.4 | 111.7 | F817 T1082 M1083 R1136 P1140 S1141 L1142 | F817-R1134 HydrophobicContact CD2-CB 4.43Å; F817-R1134 HydrophobicContact CD2-CG 4.41Å; F817-R1134 HydrophobicContact CE2-CB 4.08Å; T1082-R1134 PolarHBondContact O-NH1 2.89Å; M1083-R1134 PolarHBondContact O-N 3.19Å; R1134-R1136 PolarHBondContact O-N 2.99Å; R1134-P1140 PolarHBondContact NH2-O 3.3Å; R1134-S1141 VanDerWaalsContact NH1-C 3.32Å; R1134-S1141 PolarHBondContact NH1-O 3.16Å; R1134-L1142 PolarHBondContact NH2-O 3.45Å |
| 1135 | D | 92.3 | Very high | 92.9 | Very high | 27 Ų | 27 | 21.1 Ų | 21.1 | 14% | 0.144 | 11% | 0.105 | C | C | . | . | trans | -66.7 | 111.2 | 178.7 | 179.6 | 0.5 | 0 | 0 | 0 | 111.1 | D818 S1137 R1138 | D818-D1135 PolarHBondContact O-N 3.07Å; D1135-S1137 PolarHBondContact O-N 3.39Å; D1135-S1137 VanDerWaalsContact OD1-CB 3.29Å; D1135-S1137 WeakPolarHBondContact OD1-CB 3.27Å; D1135-S1137 PolarHBondContact OD1-N 2.75Å; D1135-S1137 PolarHBondContact OD1-OG 3.43Å; D1135-S1137 PolarHBondContact OD2-OG 2.92Å; D1135-R1138 HydrophobicContact CB-CG 3.86Å; D1135-R1138 PolarHBondContact O-N 3.45Å; D1135-R1138 WeakPolarHBondContact OD2-CG 3.19Å; D1135-R1138 IonicContact OD2-CZ 3.91Å; D1135-R1138 IonicContact OD2-NE 2.7Å; D1135-R1138 PolarHBondContact OD2-NE 3.39Å; D1135-R1138 IonicContact OD2-NH2 3.23Å | ||
| 1136 | R | 90.9 | Very high | 92.7 | Very high | 16 Ų | 16 | 21.3 Ų | 21.3 | 6% | 0.06 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -20.5 | 179.3 | -81.8 | -155 | 62.8 | 167.1 | -0.7 | 114.1 | T1082 M1083 R1134 R1138 L1233 R1238 | T1082-R1136 WeakPolarHBondContact OG1-CD 3.42Å; T1082-R1136 WeakPolarHBondContact OG1-CG 3.45Å; T1082-R1136 PolarHBondContact OG1-NE 3.43Å; M1083-R1136 HydrophobicContact CG-CG 3.94Å; R1134-R1136 PolarHBondContact O-N 2.99Å; R1136-R1138 PolarHBondContact O-N 2.92Å; R1136-L1233 HydrophobicContact CB-CD1 3.7Å; R1136-L1233 HydrophobicContact CB-CD2 4.4Å; R1136-R1238 WeakPolarHBondContact CD-O 3.43Å; R1136-R1238 VanDerWaalsContact CZ-O 3.25Å; R1136-R1238 PolarHBondContact NE-O 3.47Å; R1136-R1238 PolarHBondContact NH1-O 3.23Å |
| 1137 | S | 85.6 | Confident | 92.6 | Very high | 55 Ų | 55 | 20.9 Ų | 20.9 | 39% | 0.385 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -16.6 | -179.2 | 74.3 | 0 | 0 | 0 | 0 | 112.7 | D1135 K1205 | D1135-S1137 PolarHBondContact O-N 3.39Å; D1135-S1137 VanDerWaalsContact OD1-CB 3.29Å; D1135-S1137 WeakPolarHBondContact OD1-CB 3.27Å; D1135-S1137 PolarHBondContact OD1-N 2.75Å; D1135-S1137 PolarHBondContact OD1-OG 3.43Å; D1135-S1137 PolarHBondContact OD2-OG 2.92Å; S1137-K1205 PolarHBondContact O-NZ 2.91Å |
| 1138 | R | 85.8 | Confident | 92.3 | Very high | 128 Ų | 128 | 20.9 Ų | 20.9 | 48% | 0.483 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -84.1 | 148.7 | -178.8 | -54.6 | -64.4 | 173.1 | 164.6 | 2.1 | 111.7 | D818 D1135 R1136 | D818-R1138 HydrophobicContact CB-CG 3.93Å; D1135-R1138 HydrophobicContact CB-CG 3.86Å; D1135-R1138 PolarHBondContact O-N 3.45Å; D1135-R1138 WeakPolarHBondContact OD2-CG 3.19Å; D1135-R1138 IonicContact OD2-CZ 3.91Å; D1135-R1138 IonicContact OD2-NE 2.7Å; D1135-R1138 PolarHBondContact OD2-NE 3.39Å; D1135-R1138 IonicContact OD2-NH2 3.23Å; R1136-R1138 PolarHBondContact O-N 2.92Å |
| 1139 | N | 82.9 | Confident | 91.9 | Very high | 52 Ų | 52 | 22 Ų | 22 | 28% | 0.278 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -117.5 | 145.3 | 175.3 | -76.2 | -52.2 | 0 | 0 | 0 | 110.8 | S1141 K1205 Y1207 | N1139-S1141 PolarHBondContact OD1-OG 2.87Å; N1139-S1141 VanDerWaalsContact OD1-OG 3.12Å; N1139-K1205 PolarHBondContact ND2-NZ 3.09Å; N1139-Y1207 WeakPolarHBondContact CB-OH 3.36Å; N1139-Y1207 PolarHBondContact ND2-OH 3.45Å |
| 1140 | P | 90.4 | Very high | 91.4 | Very high | 21 Ų | 21 | 22.3 Ų | 22.3 | 14% | 0.136 | 11% | 0.108 | C | C | . | . | S | Bend | cis | -63.3 | 158 | 2.1 | 31.7 | -40.4 | 0 | 0 | 0 | 112.7 | N754 L757 R1134 L1142 | N754-P1140 HydrophobicContact CB-CB 4.3Å; N754-P1140 HydrophobicContact CB-CG 3.73Å; L757-P1140 HydrophobicContact CD1-CG 4.12Å; R1134-P1140 PolarHBondContact NH2-O 3.3Å; P1140-L1142 PolarHBondContact O-N 3.31Å |
| 1141 | S | 91.7 | Very high | 90.7 | Very high | 6 Ų | 6 | 21.1 Ų | 21.1 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -76.5 | -18.4 | -171.7 | -46.7 | 0 | 0 | 0 | 0 | 114.6 | L752 T1082 R1134 N1139 I1229 | L752-S1141 PolarHBondContact O-N 3.37Å; T1082-S1141 WeakPolarHBondContact CB-O 3.35Å; T1082-S1141 WeakPolarHBondContact CG2-O 3.47Å; R1134-S1141 VanDerWaalsContact NH1-C 3.32Å; R1134-S1141 PolarHBondContact NH1-O 3.16Å; N1139-S1141 PolarHBondContact OD1-OG 2.87Å; N1139-S1141 VanDerWaalsContact OD1-OG 3.12Å; S1141-I1229 VanDerWaalsContact CB-CG2 3.47Å |
| 1142 | L | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -117.9 | 151 | 172.6 | -78.8 | 83.6 | 0 | 0 | 0 | 110.8 | L752 H1081 T1082 R1134 P1140 T1147 A1162 I1229 | L752-L1142 HydrophobicContact CB-CD1 4.31Å; L752-L1142 PolarHBondContact O-N 3.09Å; H1081-L1142 HydrophobicContact CB-CD2 3.97Å; T1082-L1142 HydrophobicContact CG2-CD1 3.96Å; T1082-L1142 HydrophobicContact CG2-CG 4.43Å; R1134-L1142 PolarHBondContact NH2-O 3.45Å; P1140-L1142 PolarHBondContact O-N 3.31Å; L1142-T1147 HydrophobicContact CB-CG2 3.86Å; L1142-A1162 HydrophobicContact CD2-CB 4.12Å; L1142-I1229 HydrophobicContact CD1-CG2 4.48Å |
| 1143 | N | 93 | Very high | 88.7 | Confident | 9 Ų | 9 | 23.5 Ų | 23.5 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | trans | -81 | 153.8 | 179.4 | 78.5 | 68.3 | 0 | 0 | 0 | 111.6 | V1084 P1086 E1145 L1146 T1147 | V1084-N1143 PolarHBondContact O-ND2 2.91Å; P1086-N1143 HydrophobicContact CB-CB 4.17Å; N1143-E1145 VanDerWaalsContact C-N 3.25Å; N1143-E1145 PolarHBondContact O-N 3.16Å; N1143-E1145 WeakPolarHBondContact OD1-CA 3.5Å; N1143-E1145 VanDerWaalsContact OD1-CB 3.24Å; N1143-E1145 WeakPolarHBondContact OD1-CB 3.15Å; N1143-E1145 PolarHBondContact OD1-N 3.31Å; N1143-L1146 PolarHBondContact O-N 3.33Å; N1143-L1146 VanDerWaalsContact O-N 3.11Å; N1143-L1146 PolarHBondContact OD1-N 2.74Å; N1143-T1147 PolarHBondContact O-N 3.34Å | ||
| 1144 | S | 92.4 | Very high | 87 | Confident | 9 Ų | 9 | 23.7 Ų | 23.7 | 6% | 0.063 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.8 | -18.4 | -175.5 | 62.4 | 0 | 0 | 0 | 0 | 115 | M758 L1146 E1148 | M758-S1144 VanDerWaalsContact CA-OG 3.28Å; M758-S1144 WeakPolarHBondContact CA-OG 3.32Å; M758-S1144 PolarHBondContact N-OG 3Å; S1144-L1146 VanDerWaalsContact C-N 3.26Å; S1144-L1146 PolarHBondContact O-N 2.97Å; S1144-E1148 WeakPolarHBondContact O-CA 3.46Å; S1144-E1148 VanDerWaalsContact O-CB 3.29Å; S1144-E1148 WeakPolarHBondContact O-CB 2.99Å; S1144-E1148 PolarHBondContact O-N 3.04Å |
| 1145 | E | 92.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.1 | -28.3 | 173.9 | -63.6 | -81 | 119.8 | 0 | 0 | 111.4 | L761 P1086 L1105 H1106 N1143 R1149 L1150 | L761-E1145 HydrophobicContact CD2-CG 3.87Å; P1086-E1145 HydrophobicContact CB-CB 4.48Å; P1086-E1145 HydrophobicContact CB-CG 3.87Å; L1105-E1145 HydrophobicContact CB-CB 3.98Å; L1105-E1145 HydrophobicContact CB-CG 4.33Å; L1105-E1145 HydrophobicContact CD2-CB 4.28Å; L1105-E1145 PolarHBondContact N-OE2 2.82Å; H1106-E1145 IonicContact CE1-OE2 2.71Å; H1106-E1145 IonicContact CG-OE2 2.96Å; H1106-E1145 PolarHBondContact N-OE2 2.83Å; H1106-E1145 VanDerWaalsContact N-OE2 3.11Å; H1106-E1145 IonicContact ND1-OE1 3.29Å; H1106-E1145 IonicContact ND1-OE2 2.71Å; H1106-E1145 PolarHBondContact ND1-OE2 3.15Å; N1143-E1145 VanDerWaalsContact C-N 3.25Å; N1143-E1145 PolarHBondContact O-N 3.16Å; N1143-E1145 WeakPolarHBondContact OD1-CA 3.5Å; N1143-E1145 VanDerWaalsContact OD1-CB 3.24Å; N1143-E1145 WeakPolarHBondContact OD1-CB 3.15Å; N1143-E1145 PolarHBondContact OD1-N 3.31Å; E1145-R1149 CarbonylContact O-C 3.59Å; E1145-R1149 PolarHBondContact O-N 3Å; E1145-R1149 WeakPolarHBondContact OE1-CD 3.48Å; E1145-R1149 IonicContact OE1-CZ 2.79Å; E1145-R1149 IonicContact OE1-NH1 3.63Å; E1145-R1149 PolarHBondContact OE1-NH1 2.89Å; E1145-L1150 PolarHBondContact O-N 2.98Å |
| 1146 | L | 93.3 | Very high | 83.9 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -87.7 | -32 | 175.6 | -65.8 | 179.2 | 0 | 0 | 0 | 113.9 | H1081 V1084 L1105 F1109 N1143 S1144 L1150 L1161 | H1081-L1146 WeakPolarHBondContact O-CD1 3.4Å; V1084-L1146 HydrophobicContact CB-CD1 3.85Å; V1084-L1146 HydrophobicContact CG1-CD1 4.14Å; V1084-L1146 HydrophobicContact CG2-CD1 4.11Å; L1105-L1146 HydrophobicContact CD2-CD2 3.68Å; L1105-L1146 HydrophobicContact CD2-CG 4.07Å; F1109-L1146 HydrophobicContact CZ-CD2 4.16Å; N1143-L1146 PolarHBondContact O-N 3.33Å; N1143-L1146 VanDerWaalsContact O-N 3.11Å; N1143-L1146 PolarHBondContact OD1-N 2.74Å; S1144-L1146 VanDerWaalsContact C-N 3.26Å; S1144-L1146 PolarHBondContact O-N 2.97Å; L1146-L1150 HydrophobicContact CD2-CD1 4.19Å; L1146-L1161 HydrophobicContact CB-CB 4.31Å; L1146-L1161 HydrophobicContact CB-CD2 4.43Å; L1146-L1161 HydrophobicContact CD1-CD2 4.24Å; L1146-L1161 HydrophobicContact CD2-CD2 3.94Å; L1146-L1161 HydrophobicContact CG-CD2 4.44Å; L1146-L1161 WeakPolarHBondContact O-CB 3.37Å; L1146-L1161 PolarHBondContact O-N 3.34Å |
| 1147 | T | 93.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -92.2 | -24.3 | -177.6 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | R745 R877 L1142 N1143 D1160 A1162 | R745-T1147 PolarHBondContact NH1-O 2.93Å; R877-T1147 PolarHBondContact NH2-O 3.22Å; L1142-T1147 HydrophobicContact CB-CG2 3.86Å; N1143-T1147 PolarHBondContact O-N 3.34Å; T1147-D1160 VanDerWaalsContact O-CB 3.28Å; T1147-D1160 WeakPolarHBondContact O-CB 3.38Å; T1147-D1160 VanDerWaalsContact O-CG 3.25Å; T1147-A1162 HydrophobicContact CG2-CB 4.15Å |
| 1148 | E | 91.1 | Very high | 82.6 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.019 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -22.9 | -175.8 | -50.7 | -52.7 | 134.1 | 0 | 0 | 114.7 | R745 A755 M758 R877 S1144 A1158 | R745-E1148 IonicContact CZ-OE1 3.97Å; R745-E1148 IonicContact CZ-OE2 2.77Å; R745-E1148 IonicContact NH1-OE1 2.67Å; R745-E1148 PolarHBondContact NH1-OE1 3.05Å; R745-E1148 IonicContact NH1-OE2 2.99Å; R745-E1148 PolarHBondContact NH1-OE2 3.31Å; R745-E1148 IonicContact NH2-OE1 3.28Å; R745-E1148 PolarHBondContact NH2-OE1 2.64Å; R745-E1148 IonicContact NH2-OE2 3.44Å; R745-E1148 PolarHBondContact NH2-OE2 3.4Å; A755-E1148 HydrophobicContact CB-CG 3.91Å; M758-E1148 HydrophobicContact SD-CB 3.92Å; R877-E1148 WeakPolarHBondContact CD-OE2 3.32Å; R877-E1148 IonicContact CZ-OE2 3.15Å; R877-E1148 IonicContact NE-OE2 3.55Å; R877-E1148 PolarHBondContact NE-OE2 3.49Å; R877-E1148 IonicContact NH2-OE2 3.43Å; S1144-E1148 WeakPolarHBondContact O-CA 3.46Å; S1144-E1148 VanDerWaalsContact O-CB 3.29Å; S1144-E1148 WeakPolarHBondContact O-CB 2.99Å; S1144-E1148 PolarHBondContact O-N 3.04Å; E1148-A1158 WeakPolarHBondContact O-CB 3.44Å |
| 1149 | R | 89.5 | Confident | 82.8 | Confident | 44 Ų | 44 | 25.5 Ų | 25.5 | 17% | 0.166 | 13% | 0.131 | C | C | . | . | trans | -129.5 | 21.5 | -172.5 | -67.2 | -173.8 | 176.4 | 161.5 | -4 | 114.9 | M758 T762 H1106 E1145 F1151 A1152 | M758-R1149 HydrophobicContact CG-CG 4.43Å; M758-R1149 HydrophobicContact SD-CG 3.74Å; M758-R1149 PolarHBondContact SD-NE 3.38Å; T762-R1149 VanDerWaalsContact OG1-CZ 3.31Å; T762-R1149 PolarHBondContact OG1-NH1 3.05Å; T762-R1149 PolarHBondContact OG1-NH2 3.28Å; H1106-R1149 HydrophobicContact CB-CB 4.04Å; H1106-R1149 WeakPolarHBondContact CB-O 3.35Å; E1145-R1149 CarbonylContact O-C 3.59Å; E1145-R1149 PolarHBondContact O-N 3Å; E1145-R1149 WeakPolarHBondContact OE1-CD 3.48Å; E1145-R1149 IonicContact OE1-CZ 2.79Å; E1145-R1149 IonicContact OE1-NH1 3.63Å; E1145-R1149 PolarHBondContact OE1-NH1 2.89Å; R1149-F1151 PolarHBondContact O-N 3.03Å; R1149-A1152 HydrophobicContact CB-CB 3.97Å; R1149-A1152 HydrophobicContact CG-CB 4.4Å; R1149-A1152 WeakPolarHBondContact O-CB 3.42Å; R1149-A1152 PolarHBondContact O-N 3.04Å; R1149-A1152 VanDerWaalsContact O-N 3.07Å | ||
| 1150 | L | 87 | Confident | 83.3 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -61.2 | 117.4 | 177.2 | -172.2 | 72.2 | 0 | 0 | 0 | 110 | F1109 E1145 L1146 A1152 L1159 L1161 L1164 | F1109-L1150 HydrophobicContact CE2-CD1 4.05Å; F1109-L1150 HydrophobicContact CZ-CD1 4.02Å; E1145-L1150 PolarHBondContact O-N 2.98Å; L1146-L1150 HydrophobicContact CD2-CD1 4.19Å; L1150-A1152 VanDerWaalsContact C-N 3.26Å; L1150-A1152 PolarHBondContact O-N 3.42Å; L1150-L1159 HydrophobicContact CB-CB 4.06Å; L1150-L1159 HydrophobicContact CD2-CB 3.87Å; L1150-L1159 HydrophobicContact CG-CB 4.3Å; L1150-L1159 PolarHBondContact O-N 2.98Å; L1150-L1161 HydrophobicContact CD2-CB 3.88Å; L1150-L1161 HydrophobicContact CD2-CD1 4.25Å; L1150-L1164 HydrophobicContact CD2-CD1 3.93Å |
| 1151 | F | 81.2 | Confident | 83.5 | Confident | 21 Ų | 21 | 23.4 Ų | 23.4 | 9% | 0.092 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 35.3 | -174.9 | -47.4 | -38.3 | 0 | 0 | 0 | 114.7 | S584 I587 A588 F1109 F1110 R1149 M1153 A1154 L1159 | S584-F1151 PolarHBondContact OG-O 2.94Å; I587-F1151 HydrophobicContact CB-CD2 4.36Å; I587-F1151 HydrophobicContact CG2-CB 4.31Å; I587-F1151 HydrophobicContact CG2-CD1 4.3Å; I587-F1151 HydrophobicContact CG2-CD2 3.91Å; I587-F1151 HydrophobicContact CG2-CE2 4.3Å; I587-F1151 HydrophobicContact CG2-CG 3.92Å; A588-F1151 HydrophobicContact CB-CD2 4.22Å; A588-F1151 HydrophobicContact CB-CE2 3.97Å; F1109-F1151 HydrophobicContact CB-CD1 3.88Å; F1109-F1151 HydrophobicContact CB-CE1 4.09Å; F1109-F1151 HydrophobicContact CD1-CD1 4.46Å; F1109-F1151 HydrophobicContact CD1-CE1 4.01Å; F1109-F1151 AromaticContact CD2-CD1 3.81Å; F1109-F1151 HydrophobicContact CD2-CD1 3.81Å; F1109-F1151 HydrophobicContact CD2-CE1 4.11Å; F1109-F1151 HydrophobicContact CE1-CE1 4.46Å; F1109-F1151 HydrophobicContact CE2-CD1 4.46Å; F1109-F1151 AromaticContact CG-CD1 3.82Å; F1109-F1151 HydrophobicContact CG-CD1 3.82Å; F1109-F1151 AromaticContact CG-CE1 3.83Å; F1109-F1151 HydrophobicContact CG-CE1 3.83Å; F1110-F1151 HydrophobicContact CD2-CD1 4.33Å; F1110-F1151 HydrophobicContact CD2-CE1 4.39Å; F1110-F1151 AromaticContact CE2-CD1 3.76Å; F1110-F1151 HydrophobicContact CE2-CD1 3.76Å; F1110-F1151 AromaticContact CE2-CE1 3.48Å; F1110-F1151 HydrophobicContact CE2-CE1 3.48Å; F1110-F1151 VanDerWaalsContact CE2-CE1 3.48Å; F1110-F1151 HydrophobicContact CE2-CG 4.45Å; F1110-F1151 AromaticContact CE2-CZ 3.94Å; F1110-F1151 HydrophobicContact CE2-CZ 3.94Å; F1110-F1151 HydrophobicContact CZ-CE1 4.15Å; F1110-F1151 HydrophobicContact CZ-CZ 4.31Å; R1149-F1151 PolarHBondContact O-N 3.03Å; F1151-M1153 PolarHBondContact O-N 3Å; F1151-A1154 WeakPolarHBondContact O-CB 3.17Å; F1151-A1154 PolarHBondContact O-N 3.43Å; F1151-L1159 HydrophobicContact CD2-CD1 4.22Å |
| 1152 | A | 76.4 | Confident | 83.7 | Confident | 28 Ų | 28 | 23.1 Ų | 23.1 | 23% | 0.231 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1106 R1149 L1150 A1154 H1155 A1158 | H1106-A1152 HydrophobicContact CB-CB 4.46Å; R1149-A1152 HydrophobicContact CB-CB 3.97Å; R1149-A1152 HydrophobicContact CG-CB 4.4Å; R1149-A1152 WeakPolarHBondContact O-CB 3.42Å; R1149-A1152 PolarHBondContact O-N 3.04Å; R1149-A1152 VanDerWaalsContact O-N 3.07Å; L1150-A1152 VanDerWaalsContact C-N 3.26Å; L1150-A1152 PolarHBondContact O-N 3.42Å; A1152-A1154 VanDerWaalsContact C-N 3.29Å; A1152-A1154 PolarHBondContact O-N 2.79Å; A1152-H1155 VanDerWaalsContact O-O 3.11Å; A1152-A1158 HydrophobicContact CB-CB 3.86Å |
| 1153 | M | 69.8 | Low | 83.8 | Confident | 41 Ų | 41 | 23.1 Ų | 23.1 | 20% | 0.202 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -32.8 | 178.4 | -64.1 | -59.6 | -70.6 | 0 | 0 | 112.2 | A968 D969 H1106 F1151 | A968-M1153 HydrophobicContact CB-CB 4.17Å; A968-M1153 CarbonylContact O-C 3.5Å; A968-M1153 VanDerWaalsContact O-O 3.12Å; D969-M1153 HydrophobicContact CB-CE 3.74Å; D969-M1153 VanDerWaalsContact OD2-CE 3.28Å; D969-M1153 WeakPolarHBondContact OD2-CE 3.12Å; H1106-M1153 VanDerWaalsContact O-CG 3.24Å; H1106-M1153 WeakPolarHBondContact O-CG 3.21Å; F1151-M1153 PolarHBondContact O-N 3Å |
| 1154 | A | 58.3 | Low | 84 | Confident | 5 Ų | 5 | 23.9 Ų | 23.9 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -46.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R581 R582 I587 A968 F1151 A1152 | R581-A1154 WeakPolarHBondContact CG-O 3.24Å; R581-A1154 PolarHBondContact NE-O 3.36Å; R582-A1154 CarbonylContact O-C 3.22Å; R582-A1154 VanDerWaalsContact O-O 3.13Å; I587-A1154 HydrophobicContact CD1-CB 3.26Å; I587-A1154 HydrophobicContact CG1-CB 3.68Å; A968-A1154 WeakPolarHBondContact O-CA 3.34Å; A968-A1154 PolarHBondContact O-N 2.91Å; F1151-A1154 WeakPolarHBondContact O-CB 3.17Å; F1151-A1154 PolarHBondContact O-N 3.43Å; A1152-A1154 VanDerWaalsContact C-N 3.29Å; A1152-A1154 PolarHBondContact O-N 2.79Å |
| 1155 | H | 63.9 | Low | 84.2 | Confident | 64 Ų | 64 | 23.6 Ų | 23.6 | 30% | 0.296 | 12% | 0.118 | S | C | . | . | trans | -158.4 | 157.9 | -163.8 | -165.3 | -94.4 | 0 | 0 | 0 | 111.6 | A1152 L1157 | A1152-H1155 VanDerWaalsContact O-O 3.11Å; H1155-L1157 VanDerWaalsContact C-N 3.34Å; H1155-L1157 PolarHBondContact ND1-N 3.46Å; H1155-L1157 PolarHBondContact O-N 2.92Å | ||
| 1156 | E | 58.4 | Low | 84.4 | Confident | 174 Ų | 174 | 23.6 Ų | 23.6 | 81% | 0.813 | 12% | 0.118 | S | C | * | . | S | Bend | trans | -63.1 | -38.3 | -177.4 | -63.5 | -174.5 | 171.2 | 0 | 0 | 112.9 | A1158 | E1156-A1158 PolarHBondContact O-N 2.8Š|
| 1157 | L | 69.1 | Low | 84.6 | Confident | 38 Ų | 38 | 23.6 Ų | 23.6 | 20% | 0.199 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -83.8 | 86.4 | 174.6 | -172.1 | 67 | 0 | 0 | 0 | 111.6 | S584 I878 H1155 | S584-L1157 WeakPolarHBondContact CB-O 3.41Å; S584-L1157 PolarHBondContact OG-O 3.09Å; I878-L1157 HydrophobicContact CB-CD1 4.44Å; I878-L1157 HydrophobicContact CG1-CD1 4.08Å; I878-L1157 HydrophobicContact CG2-CD1 3.67Å; H1155-L1157 VanDerWaalsContact C-N 3.34Å; H1155-L1157 PolarHBondContact ND1-N 3.46Å; H1155-L1157 PolarHBondContact O-N 2.92Å |
| 1158 | A | 80.6 | Confident | 84.8 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | trans | -63.8 | 146.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R877 E1148 A1152 E1156 | R877-A1158 PolarHBondContact NH1-O 2.81Å; E1148-A1158 WeakPolarHBondContact O-CB 3.44Å; A1152-A1158 HydrophobicContact CB-CB 3.86Å; E1156-A1158 PolarHBondContact O-N 2.8Å | ||
| 1159 | L | 88.8 | Confident | 85.1 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -80.2 | 175.2 | 178.3 | -60.5 | 180 | 0 | 0 | 0 | 111.9 | S584 A585 A588 I883 L1150 F1151 L1164 | S584-L1159 WeakPolarHBondContact O-CD1 3.28Å; A585-L1159 HydrophobicContact CB-CD2 4.48Å; A588-L1159 HydrophobicContact CB-CD1 3.54Å; I883-L1159 HydrophobicContact CG2-CD2 3.49Å; I883-L1159 VanDerWaalsContact CG2-CD2 3.49Å; L1150-L1159 HydrophobicContact CB-CB 4.06Å; L1150-L1159 HydrophobicContact CD2-CB 3.87Å; L1150-L1159 HydrophobicContact CG-CB 4.3Å; L1150-L1159 PolarHBondContact O-N 2.98Å; F1151-L1159 HydrophobicContact CD2-CD1 4.22Å; L1159-L1164 HydrophobicContact CB-CD1 4.22Å; L1159-L1164 HydrophobicContact CD1-CD1 4.18Å |
| 1160 | D | 93.9 | Very high | 85.5 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | trans | -130 | 107.7 | 176.6 | 177.4 | -19.7 | 0 | 0 | 0 | 109.2 | R745 S748 I883 T1147 A1162 A1163 L1164 | R745-D1160 VanDerWaalsContact CD-OD2 3.29Å; R745-D1160 WeakPolarHBondContact CD-OD2 3.38Å; R745-D1160 IonicContact CZ-OD2 3.18Å; R745-D1160 IonicContact NE-OD2 3.52Å; R745-D1160 IonicContact NH1-OD2 3.71Å; R745-D1160 PolarHBondContact NH1-OD2 3.5Å; S748-D1160 WeakPolarHBondContact CB-OD2 3.43Å; S748-D1160 VanDerWaalsContact OG-CG 3.26Å; S748-D1160 PolarHBondContact OG-OD1 3.12Å; S748-D1160 PolarHBondContact OG-OD2 3.39Å; I883-D1160 HydrophobicContact CD1-CB 4.4Å; T1147-D1160 VanDerWaalsContact O-CB 3.28Å; T1147-D1160 WeakPolarHBondContact O-CB 3.38Å; T1147-D1160 VanDerWaalsContact O-CG 3.25Å; D1160-A1162 VanDerWaalsContact C-N 3.33Å; D1160-A1162 PolarHBondContact O-N 2.88Å; D1160-A1162 WeakPolarHBondContact OD1-CB 3.49Å; D1160-A1162 PolarHBondContact OD1-N 3.3Å; D1160-A1163 HydrophobicContact CB-CB 3.84Å; D1160-A1163 PolarHBondContact O-N 3.24Å; D1160-A1163 PolarHBondContact OD1-N 3.26Å; D1160-L1164 VanDerWaalsContact O-CG 3.25Å; D1160-L1164 WeakPolarHBondContact O-CG 3.14Å; D1160-L1164 PolarHBondContact O-N 3.13Å | ||
| 1161 | L | 94.3 | Very high | 85.9 | Confident | 27 Ų | 27 | 22.8 Ų | 22.8 | 14% | 0.141 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.8 | -35.1 | -175.5 | -173.3 | 55.6 | 0 | 0 | 0 | 112.8 | H1081 L1146 L1150 L1164 N1165 | H1081-L1161 HydrophobicContact CB-CD2 4.38Å; L1146-L1161 HydrophobicContact CB-CB 4.31Å; L1146-L1161 HydrophobicContact CB-CD2 4.43Å; L1146-L1161 HydrophobicContact CD1-CD2 4.24Å; L1146-L1161 HydrophobicContact CD2-CD2 3.94Å; L1146-L1161 HydrophobicContact CG-CD2 4.44Å; L1146-L1161 WeakPolarHBondContact O-CB 3.37Å; L1146-L1161 PolarHBondContact O-N 3.34Å; L1150-L1161 HydrophobicContact CD2-CB 3.88Å; L1150-L1161 HydrophobicContact CD2-CD1 4.25Å; L1161-L1164 PolarHBondContact O-N 3.05Å; L1161-N1165 PolarHBondContact O-N 3.04Å; L1161-N1165 PolarHBondContact O-ND2 2.67Å; L1161-N1165 VanDerWaalsContact O-ND2 3.11Å |
| 1162 | A | 96.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -46.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | S748 L752 L1142 T1147 D1160 L1164 N1165 V1166 | S748-A1162 WeakPolarHBondContact OG-CB 3.35Å; L752-A1162 HydrophobicContact CB-CB 4.1Å; L752-A1162 HydrophobicContact CD1-CB 3.96Å; L1142-A1162 HydrophobicContact CD2-CB 4.12Å; T1147-A1162 HydrophobicContact CG2-CB 4.15Å; D1160-A1162 VanDerWaalsContact C-N 3.33Å; D1160-A1162 PolarHBondContact O-N 2.88Å; D1160-A1162 WeakPolarHBondContact OD1-CB 3.49Å; D1160-A1162 PolarHBondContact OD1-N 3.3Å; A1162-L1164 VanDerWaalsContact C-N 3.33Å; A1162-L1164 PolarHBondContact O-N 3.24Å; A1162-N1165 PolarHBondContact O-N 3.45Å; A1162-V1166 WeakPolarHBondContact O-CG2 3.49Å; A1162-V1166 PolarHBondContact O-N 2.7Å; A1162-V1166 VanDerWaalsContact O-N 3.09Å |
| 1163 | A | 96.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.1 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A744 I869 D1160 N1165 V1166 Q1167 | A744-A1163 HydrophobicContact CB-CB 4.15Å; A744-A1163 VanDerWaalsContact CB-O 3.3Å; A744-A1163 WeakPolarHBondContact CB-O 3.34Å; I869-A1163 HydrophobicContact CD1-CB 4.11Å; I869-A1163 HydrophobicContact CG2-CB 4.39Å; D1160-A1163 HydrophobicContact CB-CB 3.84Å; D1160-A1163 PolarHBondContact O-N 3.24Å; D1160-A1163 PolarHBondContact OD1-N 3.26Å; A1163-N1165 PolarHBondContact O-N 3.32Å; A1163-V1166 PolarHBondContact O-N 2.98Å; A1163-Q1167 WeakPolarHBondContact O-CB 3.28Å; A1163-Q1167 PolarHBondContact O-N 3.44Å |
| 1164 | L | 95.4 | Very high | 89 | Confident | 26 Ų | 26 | 19.3 Ų | 19.3 | 14% | 0.136 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.1 | -71.5 | 172.8 | 0 | 0 | 0 | 112.3 | I869 F885 L1150 L1159 D1160 L1161 A1162 Q1167 R1168 | I869-L1164 HydrophobicContact CD1-CD2 3.94Å; I869-L1164 HydrophobicContact CD1-CG 4.48Å; F885-L1164 HydrophobicContact CD2-CD2 3.81Å; F885-L1164 HydrophobicContact CE2-CD2 4.4Å; L1150-L1164 HydrophobicContact CD2-CD1 3.93Å; L1159-L1164 HydrophobicContact CB-CD1 4.22Å; L1159-L1164 HydrophobicContact CD1-CD1 4.18Å; D1160-L1164 VanDerWaalsContact O-CG 3.25Å; D1160-L1164 WeakPolarHBondContact O-CG 3.14Å; D1160-L1164 PolarHBondContact O-N 3.13Å; L1161-L1164 PolarHBondContact O-N 3.05Å; A1162-L1164 VanDerWaalsContact C-N 3.33Å; A1162-L1164 PolarHBondContact O-N 3.24Å; L1164-Q1167 PolarHBondContact O-N 2.65Å; L1164-R1168 WeakPolarHBondContact O-CB 3.42Å; L1164-R1168 PolarHBondContact O-N 2.83Å |
| 1165 | N | 97.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.011 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.2 | -43.3 | 178.4 | -69.8 | -31 | 0 | 0 | 0 | 112.1 | R1078 H1081 L1161 A1162 A1163 R1168 G1169 F1225 | R1078-N1165 VanDerWaalsContact CD-OD1 3.3Å; R1078-N1165 WeakPolarHBondContact CD-OD1 3.5Å; R1078-N1165 PolarHBondContact NH1-OD1 3.18Å; H1081-N1165 PolarHBondContact CE1-ND2 2.79Å; H1081-N1165 PolarHBondContact ND1-ND2 3.02Å; L1161-N1165 PolarHBondContact O-N 3.04Å; L1161-N1165 PolarHBondContact O-ND2 2.67Å; L1161-N1165 VanDerWaalsContact O-ND2 3.11Å; A1162-N1165 PolarHBondContact O-N 3.45Å; A1163-N1165 PolarHBondContact O-N 3.32Å; N1165-R1168 PolarHBondContact O-N 3.05Å; N1165-G1169 PolarHBondContact O-N 3.05Å; N1165-F1225 HydrophobicContact CB-CD1 3.71Å; N1165-F1225 HydrophobicContact CB-CD2 4.13Å; N1165-F1225 HydrophobicContact CB-CE1 3.71Å; N1165-F1225 HydrophobicContact CB-CE2 4.14Å; N1165-F1225 HydrophobicContact CB-CG 3.93Å; N1165-F1225 HydrophobicContact CB-CZ 3.94Å; N1165-F1225 WeakPolarHBondContact ND2-CZ 3.12Å |
| 1166 | V | 98.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 175.6 | 172 | 0 | 0 | 0 | 0 | 110.9 | A744 V747 L752 A1162 A1163 R1168 G1169 R1170 D1223 F1225 T1226 | A744-V1166 HydrophobicContact CB-CB 3.93Å; A744-V1166 HydrophobicContact CB-CG1 3.78Å; V747-V1166 HydrophobicContact CG1-CG2 3.99Å; L752-V1166 HydrophobicContact CD1-CG2 4.39Å; A1162-V1166 WeakPolarHBondContact O-CG2 3.49Å; A1162-V1166 PolarHBondContact O-N 2.7Å; A1162-V1166 VanDerWaalsContact O-N 3.09Å; A1163-V1166 PolarHBondContact O-N 2.98Å; V1166-R1168 PolarHBondContact O-N 3.19Å; V1166-G1169 PolarHBondContact O-N 3.1Å; V1166-R1170 PolarHBondContact O-N 3.24Å; V1166-D1223 HydrophobicContact CG1-CB 4.26Å; V1166-D1223 WeakPolarHBondContact CG1-OD2 3.41Å; V1166-F1225 HydrophobicContact CG2-CD1 4.14Å; V1166-T1226 WeakPolarHBondContact CG2-OG1 3.34Å |
| 1167 | Q | 97.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 8.4 Ų | 8.4 | 3% | 0.028 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.4 | -39.2 | 178.4 | -164.7 | 76 | -8.5 | 0 | 0 | 111.9 | A744 F867 P868 I869 F885 A1163 L1164 R1170 D1171 | A744-Q1167 HydrophobicContact CB-CB 4.16Å; F867-Q1167 HydrophobicContact CD1-CG 4.12Å; F867-Q1167 HydrophobicContact CE1-CG 4.12Å; F867-Q1167 VanDerWaalsContact CE1-NE2 3.27Å; F867-Q1167 VanDerWaalsContact CZ-NE2 3.32Å; F867-Q1167 PolarHBondContact O-NE2 2.81Å; P868-Q1167 PolarHBondContact O-NE2 3.45Å; I869-Q1167 HydrophobicContact CD1-CB 3.9Å; I869-Q1167 HydrophobicContact CD1-CG 4.21Å; I869-Q1167 HydrophobicContact CG1-CB 3.81Å; I869-Q1167 HydrophobicContact CG1-CG 3.62Å; F885-Q1167 HydrophobicContact CD1-CG 4.17Å; F885-Q1167 HydrophobicContact CD2-CB 4.05Å; F885-Q1167 HydrophobicContact CD2-CG 3.77Å; F885-Q1167 HydrophobicContact CE1-CG 4.15Å; F885-Q1167 HydrophobicContact CE2-CB 3.75Å; F885-Q1167 HydrophobicContact CE2-CG 3.72Å; F885-Q1167 HydrophobicContact CG-CG 3.99Å; F885-Q1167 HydrophobicContact CZ-CB 4.24Å; F885-Q1167 HydrophobicContact CZ-CG 3.92Å; A1163-Q1167 WeakPolarHBondContact O-CB 3.28Å; A1163-Q1167 PolarHBondContact O-N 3.44Å; L1164-Q1167 PolarHBondContact O-N 2.65Å; Q1167-R1170 PolarHBondContact O-N 3.34Å; Q1167-D1171 PolarHBondContact O-N 2.56Å |
| 1168 | R | 96.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 6.7 Ų | 6.7 | 5% | 0.053 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 177 | -168 | 70.4 | 56.6 | -157.3 | -9.1 | 112.5 | R592 F885 S886 S888 T1074 L1164 N1165 V1166 R1170 D1171 H1172 | R592-R1168 VanDerWaalsContact CZ-CZ 3.41Å; R592-R1168 VanDerWaalsContact NH1-CZ 3.29Å; R592-R1168 VanDerWaalsContact NH2-NH1 3.12Å; F885-R1168 HydrophobicContact CE2-CB 4.4Å; F885-R1168 HydrophobicContact CZ-CB 4.35Å; F885-R1168 VanDerWaalsContact CZ-NH2 3.29Å; S886-R1168 PolarHBondContact O-NH1 2.98Å; S886-R1168 PolarHBondContact O-NH2 3.08Å; S888-R1168 VanDerWaalsContact OG-CD 3.31Å; S888-R1168 WeakPolarHBondContact OG-CD 3.41Å; S888-R1168 PolarHBondContact OG-NH1 3.23Å; S888-R1168 VanDerWaalsContact OG-NH1 3.13Å; T1074-R1168 HydrophobicContact CG2-CB 4.35Å; T1074-R1168 HydrophobicContact CG2-CG 3.84Å; L1164-R1168 WeakPolarHBondContact O-CB 3.42Å; L1164-R1168 PolarHBondContact O-N 2.83Å; N1165-R1168 PolarHBondContact O-N 3.05Å; V1166-R1168 PolarHBondContact O-N 3.19Å; R1168-R1170 VanDerWaalsContact C-N 3.25Å; R1168-R1170 PolarHBondContact O-N 3.35Å; R1168-D1171 IonicContact NH1-OD2 3.53Å; R1168-D1171 PolarHBondContact NH1-OD2 3.44Å; R1168-D1171 VanDerWaalsContact NH1-OD2 3.15Å; R1168-D1171 WeakPolarHBondContact O-CB 3.31Å; R1168-D1171 PolarHBondContact O-N 3.38Å; R1168-H1172 VanDerWaalsContact CD-NE2 3.25Å; R1168-H1172 WeakPolarHBondContact CD-NE2 3.4Å; R1168-H1172 WeakPolarHBondContact O-CB 3.4Å; R1168-H1172 PolarHBondContact O-CD2 3.37Å; R1168-H1172 VanDerWaalsContact O-CD2 3.28Å; R1168-H1172 PolarHBondContact O-N 3.11Å |
| 1169 | G | 97.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 7.1 Ų | 7.1 | 11% | 0.113 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -58.8 | -38.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1165 V1166 G1173 L1174 | N1165-G1169 PolarHBondContact O-N 3.05Å; V1166-G1169 PolarHBondContact O-N 3.1Å; G1169-G1173 PolarHBondContact O-N 2.9Å; G1169-L1174 WeakPolarHBondContact O-CB 3.29Å; G1169-L1174 WeakPolarHBondContact O-CG 3.37Å; G1169-L1174 PolarHBondContact O-N 2.8Å |
| 1170 | R | 97.4 | Very high | 96 | Very high | 11 Ų | 11 | 6.9 Ų | 6.9 | 4% | 0.042 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -71.8 | -41.7 | 175.3 | -61.7 | 169.8 | -171 | -177.6 | 0.5 | 112.3 | P727 K741 P742 F867 V1166 Q1167 R1168 H1172 G1173 D1223 | P727-R1170 WeakPolarHBondContact CB-O 3.46Å; K741-R1170 VanDerWaalsContact CE-NE 3.31Å; P742-R1170 VanDerWaalsContact O-CZ 3.3Å; P742-R1170 PolarHBondContact O-NH1 2.93Å; P742-R1170 PolarHBondContact O-NH2 3.23Å; F867-R1170 HydrophobicContact CE1-CB 4.3Å; V1166-R1170 PolarHBondContact O-N 3.24Å; Q1167-R1170 PolarHBondContact O-N 3.34Å; R1168-R1170 VanDerWaalsContact C-N 3.25Å; R1168-R1170 PolarHBondContact O-N 3.35Å; R1170-H1172 VanDerWaalsContact C-N 3.26Å; R1170-H1172 PolarHBondContact O-N 3.39Å; R1170-G1173 PolarHBondContact O-N 3.44Å; R1170-G1173 VanDerWaalsContact O-N 3.11Å; R1170-D1223 IonicContact CZ-OD1 2.6Å; R1170-D1223 IonicContact CZ-OD2 2.76Å; R1170-D1223 IonicContact NE-OD1 3.33Å; R1170-D1223 PolarHBondContact NE-OD1 3.19Å; R1170-D1223 VanDerWaalsContact NE-OD1 3.07Å; R1170-D1223 IonicContact NE-OD2 3.79Å; R1170-D1223 PolarHBondContact NE-OD2 2.59Å; R1170-D1223 IonicContact NH2-OD1 3.24Å; R1170-D1223 IonicContact NH2-OD2 2.98Å; R1170-D1223 PolarHBondContact NH2-OD2 2.75Å |
| 1171 | D | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57 | -39.4 | 174.6 | 174.9 | 34.7 | 0 | 0 | 0 | 112.3 | Y720 F885 R887 S888 Q1167 R1168 G1173 | Y720-D1171 WeakPolarHBondContact CE1-O 3.37Å; F885-D1171 HydrophobicContact CE1-CB 4.05Å; F885-D1171 HydrophobicContact CZ-CB 4.02Å; R887-D1171 WeakPolarHBondContact CA-OD2 3.29Å; R887-D1171 WeakPolarHBondContact CB-OD1 3.3Å; R887-D1171 WeakPolarHBondContact CG-OD1 3.4Å; R887-D1171 IonicContact CZ-OD1 3.56Å; R887-D1171 IonicContact NE-OD1 2.8Å; R887-D1171 PolarHBondContact NE-OD1 3.1Å; R887-D1171 PolarHBondContact NH2-O 3Å; R887-D1171 IonicContact NH2-OD1 3.72Å; R887-D1171 PolarHBondContact NH2-OD1 2.88Å; S888-D1171 PolarHBondContact N-OD2 3.28Å; S888-D1171 PolarHBondContact OG-OD2 2.99Å; Q1167-D1171 PolarHBondContact O-N 2.56Å; R1168-D1171 IonicContact NH1-OD2 3.53Å; R1168-D1171 PolarHBondContact NH1-OD2 3.44Å; R1168-D1171 VanDerWaalsContact NH1-OD2 3.15Å; R1168-D1171 WeakPolarHBondContact O-CB 3.31Å; R1168-D1171 PolarHBondContact O-N 3.38Å; D1171-G1173 VanDerWaalsContact C-N 3.27Å; D1171-G1173 PolarHBondContact O-N 3.3Å |
| 1172 | H | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.4 | 179.3 | -74 | -143.9 | 0 | 0 | 0 | 114.1 | R714 Y720 S888 N1070 T1074 R1168 R1170 L1174 | R714-H1172 PolarHBondContact NH1-O 3.39Å; R714-H1172 PolarHBondContact NH2-O 2.96Å; Y720-H1172 PolarHBondContact OH-O 3.08Å; S888-H1172 WeakPolarHBondContact CB-NE2 3.46Å; S888-H1172 PolarHBondContact OG-NE2 2.86Å; N1070-H1172 PolarHBondContact OD1-ND1 3.23Å; T1074-H1172 HydrophobicContact CG2-CB 4.19Å; T1074-H1172 PolarHBondContact OG1-CE1 2.95Å; T1074-H1172 PolarHBondContact OG1-ND1 2.99Å; R1168-H1172 VanDerWaalsContact CD-NE2 3.25Å; R1168-H1172 WeakPolarHBondContact CD-NE2 3.4Å; R1168-H1172 WeakPolarHBondContact O-CB 3.4Å; R1168-H1172 PolarHBondContact O-CD2 3.37Å; R1168-H1172 VanDerWaalsContact O-CD2 3.28Å; R1168-H1172 PolarHBondContact O-N 3.11Å; R1170-H1172 VanDerWaalsContact C-N 3.26Å; R1170-H1172 PolarHBondContact O-N 3.39Å; H1172-L1174 HydrophobicContact CB-CD2 4.46Å; H1172-L1174 HydrophobicContact CB-CG 4.33Å; H1172-L1174 PolarHBondContact O-N 3.44Å |
| 1173 | G | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 35.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | P718 K719 G1169 R1170 D1171 P1175 | P718-G1173 CarbonylContact C-O 3.49Å; P718-G1173 WeakPolarHBondContact CA-O 3.09Å; P718-G1173 VanDerWaalsContact CB-O 3.28Å; P718-G1173 WeakPolarHBondContact CB-O 3.32Å; K719-G1173 PolarHBondContact N-O 3.18Å; K719-G1173 WeakPolarHBondContact O-CA 3.38Å; G1169-G1173 PolarHBondContact O-N 2.9Å; R1170-G1173 PolarHBondContact O-N 3.44Å; R1170-G1173 VanDerWaalsContact O-N 3.11Å; D1171-G1173 VanDerWaalsContact C-N 3.27Å; D1171-G1173 PolarHBondContact O-N 3.3Å; G1173-P1175 VanDerWaalsContact O-CD 3.3Å; G1173-P1175 WeakPolarHBondContact O-CD 3.33Å |
| 1174 | L | 97.5 | Very high | 95.3 | Very high | 16 Ų | 16 | 14.1 Ų | 14.1 | 8% | 0.084 | 7% | 0.072 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 129.3 | 176.3 | -57.9 | -175.8 | 0 | 0 | 0 | 110.8 | N1070 E1071 T1074 A1075 G1169 H1172 L1224 | N1070-L1174 HydrophobicContact CB-CD2 4.35Å; E1071-L1174 HydrophobicContact CG-CD2 4.33Å; T1074-L1174 HydrophobicContact CG2-CD1 3.92Å; A1075-L1174 HydrophobicContact CB-CD1 4.14Å; G1169-L1174 WeakPolarHBondContact O-CB 3.29Å; G1169-L1174 WeakPolarHBondContact O-CG 3.37Å; G1169-L1174 PolarHBondContact O-N 2.8Å; H1172-L1174 HydrophobicContact CB-CD2 4.46Å; H1172-L1174 HydrophobicContact CB-CG 4.33Å; H1172-L1174 PolarHBondContact O-N 3.44Å; L1174-L1224 HydrophobicContact CD1-CD2 4.32Å |
| 1175 | P | 95.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 2% | 0.019 | 7% | 0.073 | C | C | . | . | P | Polyproline II helix | trans | -49.1 | 161.5 | 164.5 | -28.7 | 26.9 | 0 | 0 | 0 | 114.9 | L716 P717 K719 G1173 E1179 Y1180 | L716-P1175 HydrophobicContact CB-CG 3.95Å; L716-P1175 HydrophobicContact CD1-CB 4.34Å; L716-P1175 HydrophobicContact CD1-CG 4.29Å; P717-P1175 WeakPolarHBondContact O-CG 3.16Å; K719-P1175 HydrophobicContact CD-CB 4.4Å; K719-P1175 HydrophobicContact CG-CG 4.24Å; G1173-P1175 VanDerWaalsContact O-CD 3.3Å; G1173-P1175 WeakPolarHBondContact O-CD 3.33Å; P1175-E1179 HydrophobicContact CB-CB 4.15Å; P1175-E1179 HydrophobicContact CB-CG 4.45Å; P1175-Y1180 HydrophobicContact CB-CD2 4.43Å; P1175-Y1180 HydrophobicContact CB-CE2 3.71Å; P1175-Y1180 VanDerWaalsContact CD-OH 3.24Å; P1175-Y1180 WeakPolarHBondContact CD-OH 3.47Å; P1175-Y1180 HydrophobicContact CG-CE2 4.14Å; P1175-Y1180 WeakPolarHBondContact O-CE2 3.46Å |
| 1176 | G | 93.8 | Very high | 95 | Very high | 12 Ų | 12 | 16.7 Ų | 16.7 | 12% | 0.124 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -63.9 | 153.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1178 E1179 I1222 | G1176-T1178 PolarHBondContact O-N 3.09Å; G1176-T1178 VanDerWaalsContact O-N 3.16Å; G1176-E1179 WeakPolarHBondContact O-CB 3.15Å; G1176-E1179 PolarHBondContact O-N 3.38Å; G1176-I1222 CarbonylContact C-O 3.51Å; G1176-I1222 WeakPolarHBondContact CA-O 3.45Å |
| 1177 | Y | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -47 | -45.8 | 180 | 160.6 | -109.5 | 0 | 0 | 0 | 113.4 | E1179 Y1180 A1181 L1199 R1202 I1222 L1224 E1231 T1242 | Y1177-E1179 PolarHBondContact O-N 3.24Å; Y1177-Y1180 PolarHBondContact O-N 2.94Å; Y1177-A1181 HydrophobicContact CE2-CB 4.13Å; Y1177-A1181 PolarHBondContact O-N 2.9Å; Y1177-L1199 HydrophobicContact CE1-CD2 4.24Å; Y1177-R1202 WeakPolarHBondContact OH-CD 3.42Å; Y1177-I1222 HydrophobicContact CD1-CB 4.49Å; Y1177-I1222 HydrophobicContact CD1-CD1 4.48Å; Y1177-I1222 HydrophobicContact CD1-CG2 4.2Å; Y1177-I1222 HydrophobicContact CG-CG2 4.26Å; Y1177-I1222 PolarHBondContact N-O 2.99Å; Y1177-L1224 HydrophobicContact CD2-CD1 4.38Å; Y1177-E1231 HydrophobicContact CE2-CG 4.26Å; Y1177-E1231 WeakPolarHBondContact CE2-OE1 3.42Å; Y1177-E1231 WeakPolarHBondContact OH-CG 3.25Å; Y1177-E1231 PolarHBondContact OH-OE1 3.36Å; Y1177-T1242 HydrophobicContact CD2-CG2 4.47Å; Y1177-T1242 HydrophobicContact CE2-CG2 4.17Å |
| 1178 | T | 94.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.8 | -26.4 | -175.8 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | G1176 Y1182 P1193 L1199 P1219 | G1176-T1178 PolarHBondContact O-N 3.09Å; G1176-T1178 VanDerWaalsContact O-N 3.16Å; T1178-Y1182 VanDerWaalsContact O-CB 3.29Å; T1178-Y1182 WeakPolarHBondContact O-CB 3.17Å; T1178-Y1182 WeakPolarHBondContact O-CD2 3.25Å; T1178-Y1182 PolarHBondContact O-N 3.12Å; T1178-P1193 HydrophobicContact CG2-CG 3.49Å; T1178-P1193 VanDerWaalsContact CG2-CG 3.49Å; T1178-L1199 HydrophobicContact CG2-CD2 4.37Å; T1178-P1219 HydrophobicContact CG2-CB 4.4Å; T1178-P1219 WeakPolarHBondContact CG2-O 3.45Å |
| 1179 | E | 93.1 | Very high | 92.6 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 7% | 0.065 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.1 | -41.3 | 176.6 | -61.1 | -158.5 | -122.2 | 0 | 0 | 111.8 | L716 K719 P1175 G1176 Y1177 K1183 H1192 | L716-E1179 HydrophobicContact CD1-CB 3.91Å; K719-E1179 WeakPolarHBondContact CD-OE1 3.48Å; K719-E1179 WeakPolarHBondContact CE-OE1 3.35Å; K719-E1179 VanDerWaalsContact NZ-CD 3.35Å; K719-E1179 IonicContact NZ-OE1 3.8Å; K719-E1179 PolarHBondContact NZ-OE1 3.45Å; K719-E1179 IonicContact NZ-OE2 3.75Å; K719-E1179 PolarHBondContact NZ-OE2 2.87Å; P1175-E1179 HydrophobicContact CB-CB 4.15Å; P1175-E1179 HydrophobicContact CB-CG 4.45Å; G1176-E1179 WeakPolarHBondContact O-CB 3.15Å; G1176-E1179 PolarHBondContact O-N 3.38Å; Y1177-E1179 PolarHBondContact O-N 3.24Å; E1179-K1183 HydrophobicContact CB-CD 4.4Å; E1179-K1183 WeakPolarHBondContact O-CA 3.4Å; E1179-K1183 WeakPolarHBondContact O-CB 3.3Å; E1179-K1183 PolarHBondContact O-N 3.45Å; E1179-K1183 IonicContact OE2-NZ 2.6Å; E1179-K1183 PolarHBondContact OE2-NZ 3.4Å; E1179-H1192 IonicContact OE2-CE1 2.66Å |
| 1180 | Y | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -67.9 | -49.6 | 175.6 | -68.3 | -73.9 | 0 | 0 | 0 | 111.6 | L715 L716 E1071 P1175 Y1177 Y1182 I1184 C1185 L1224 | L715-Y1180 HydrophobicContact CB-CE1 4.24Å; L716-Y1180 HydrophobicContact CB-CE1 4Å; L716-Y1180 HydrophobicContact CD1-CD1 3.74Å; L716-Y1180 HydrophobicContact CD1-CD2 4.49Å; L716-Y1180 HydrophobicContact CD1-CE1 3.59Å; L716-Y1180 HydrophobicContact CD1-CE2 4.42Å; L716-Y1180 HydrophobicContact CD1-CG 4.21Å; L716-Y1180 HydrophobicContact CG-CD1 4.24Å; L716-Y1180 HydrophobicContact CG-CE1 3.81Å; E1071-Y1180 HydrophobicContact CB-CE1 4.46Å; E1071-Y1180 VanDerWaalsContact CD-OH 3.3Å; E1071-Y1180 HydrophobicContact CG-CD1 4.24Å; E1071-Y1180 HydrophobicContact CG-CE1 3.3Å; E1071-Y1180 HydrophobicContact CG-CE2 4.35Å; E1071-Y1180 WeakPolarHBondContact CG-OH 3.26Å; E1071-Y1180 WeakPolarHBondContact OE1-CE1 3.43Å; E1071-Y1180 PolarHBondContact OE1-OH 2.94Å; P1175-Y1180 HydrophobicContact CB-CD2 4.43Å; P1175-Y1180 HydrophobicContact CB-CE2 3.71Å; P1175-Y1180 VanDerWaalsContact CD-OH 3.24Å; P1175-Y1180 WeakPolarHBondContact CD-OH 3.47Å; P1175-Y1180 HydrophobicContact CG-CE2 4.14Å; P1175-Y1180 WeakPolarHBondContact O-CE2 3.46Å; Y1177-Y1180 PolarHBondContact O-N 2.94Å; Y1180-Y1182 VanDerWaalsContact C-N 3.32Å; Y1180-Y1182 PolarHBondContact O-N 2.78Å; Y1180-I1184 HydrophobicContact CD1-CG1 4.25Å; Y1180-I1184 WeakPolarHBondContact O-CB 3.47Å; Y1180-I1184 PolarHBondContact O-N 3.5Å; Y1180-I1184 VanDerWaalsContact O-N 3.17Å; Y1180-C1185 PolarHBondContact O-N 2.81Å; Y1180-L1224 HydrophobicContact CD2-CB 4.31Å; Y1180-L1224 HydrophobicContact CD2-CD1 3.67Å; Y1180-L1224 HydrophobicContact CD2-CD2 3.74Å; Y1180-L1224 HydrophobicContact CD2-CG 4.09Å; Y1180-L1224 HydrophobicContact CE2-CB 4.41Å; Y1180-L1224 HydrophobicContact CE2-CD1 4.42Å; Y1180-L1224 HydrophobicContact CE2-CD2 3.67Å; Y1180-L1224 HydrophobicContact CE2-CG 4.37Å; Y1180-L1224 HydrophobicContact CG-CD1 4Å; Y1180-L1224 HydrophobicContact CG-CD2 4.24Å |
| 1181 | A | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -59.3 | -42.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y1177 C1185 G1186 L1187 T1242 | Y1177-A1181 HydrophobicContact CE2-CB 4.13Å; Y1177-A1181 PolarHBondContact O-N 2.9Å; A1181-C1185 CarbonylContact O-C 3.54Å; A1181-G1186 PolarHBondContact O-N 3.08Å; A1181-L1187 HydrophobicContact CB-CD1 4.43Å; A1181-L1187 VanDerWaalsContact O-CB 3.28Å; A1181-L1187 WeakPolarHBondContact O-CB 3.44Å; A1181-L1187 WeakPolarHBondContact O-CG 3.46Å; A1181-L1187 PolarHBondContact O-N 3.37Å; A1181-T1242 HydrophobicContact CB-CG2 4.28Å; A1181-T1242 WeakPolarHBondContact CB-OG1 3.4Å |
| 1182 | Y | 91.8 | Very high | 88.4 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -94.3 | -42.6 | -173.6 | -69.8 | -113.6 | 0 | 0 | 0 | 113.2 | T1178 Y1180 G1186 G1188 S1190 P1193 E1198 L1199 R1202 | T1178-Y1182 VanDerWaalsContact O-CB 3.29Å; T1178-Y1182 WeakPolarHBondContact O-CB 3.17Å; T1178-Y1182 WeakPolarHBondContact O-CD2 3.25Å; T1178-Y1182 PolarHBondContact O-N 3.12Å; Y1180-Y1182 VanDerWaalsContact C-N 3.32Å; Y1180-Y1182 PolarHBondContact O-N 2.78Å; Y1182-G1186 WeakPolarHBondContact O-CA 3.47Å; Y1182-G1188 VanDerWaalsContact CD1-CA 3.4Å; Y1182-G1188 VanDerWaalsContact CE1-CA 3.49Å; Y1182-S1190 WeakPolarHBondContact CD1-O 3.22Å; Y1182-P1193 HydrophobicContact CE1-CB 4.31Å; Y1182-P1193 HydrophobicContact CE1-CG 4.46Å; Y1182-P1193 HydrophobicContact CE2-CG 3.97Å; Y1182-E1198 PolarHBondContact OH-O 3.09Å; Y1182-L1199 HydrophobicContact CE2-CD2 4.12Å; Y1182-R1202 VanDerWaalsContact CZ-NH2 3.32Å; Y1182-R1202 PolarHBondContact OH-NH2 3.13Å; Y1182-R1202 VanDerWaalsContact OH-NH2 3.15Å |
| 1183 | K | 89.5 | Confident | 87.6 | Confident | 94 Ų | 94 | 33.8 Ų | 33.8 | 41% | 0.409 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -85.4 | -35.4 | -175.6 | -56.5 | 179.2 | 175.9 | 172.4 | 0 | 113.8 | E1179 H1192 | E1179-K1183 HydrophobicContact CB-CD 4.4Å; E1179-K1183 WeakPolarHBondContact O-CA 3.4Å; E1179-K1183 WeakPolarHBondContact O-CB 3.3Å; E1179-K1183 PolarHBondContact O-N 3.45Å; E1179-K1183 IonicContact OE2-NZ 2.6Å; E1179-K1183 PolarHBondContact OE2-NZ 3.4Å; K1183-H1192 WeakPolarHBondContact CE-CE1 3.45Å; K1183-H1192 WeakPolarHBondContact CE-NE2 3.41Å; K1183-H1192 PolarHBondContact NZ-CE1 3.18Å; K1183-H1192 PolarHBondContact NZ-NE2 2.86Å; K1183-H1192 VanDerWaalsContact NZ-NE2 3.11Å |
| 1184 | I | 90.9 | Very high | 86.9 | Confident | 72 Ų | 72 | 40 Ų | 40 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -95.8 | -48.1 | -177.7 | -62.9 | -62 | 0 | 0 | 0 | 111 | L716 Y1180 | L716-I1184 HydrophobicContact CD1-CG1 4.03Å; L716-I1184 HydrophobicContact CD2-CD1 3.64Å; L716-I1184 HydrophobicContact CD2-CG1 3.9Å; L716-I1184 HydrophobicContact CG-CD1 3.96Å; L716-I1184 HydrophobicContact CG-CG1 3.78Å; Y1180-I1184 HydrophobicContact CD1-CG1 4.25Å; Y1180-I1184 WeakPolarHBondContact O-CB 3.47Å; Y1180-I1184 PolarHBondContact O-N 3.5Å; Y1180-I1184 VanDerWaalsContact O-N 3.17Å |
| 1185 | C | 94.6 | Very high | 86.5 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -93.1 | -2.7 | -174.6 | -56.8 | 0 | 0 | 0 | 0 | 113.7 | Y1180 A1181 L1187 C1245 | Y1180-C1185 PolarHBondContact O-N 2.81Å; A1181-C1185 CarbonylContact O-C 3.54Å; C1185-L1187 HydrophobicContact CB-CD1 3.89Å; C1185-L1187 HydrophobicContact CB-CG 3.74Å; C1185-L1187 WeakPolarHBondContact O-CD2 3.08Å; C1185-L1187 WeakPolarHBondContact O-CG 3.45Å; C1185-L1187 PolarHBondContact O-N 3.33Å; C1185-C1245 VanDerWaalsContact CA-SG 3.54Å; C1185-C1245 HydrophobicContact CB-CB 3.76Å; C1185-C1245 WeakPolarHBondContact CB-SG 3.46Å; C1185-C1245 WeakPolarHBondContact SG-CB 3.37Å; C1185-C1245 CovalentContact SG-SG 2.05Å; C1185-C1245 PolarHBondContact SG-SG 2.98Å |
| 1186 | G | 91.5 | Very high | 86.3 | Confident | 60 Ų | 60 | 41.4 Ų | 41.4 | 62% | 0.619 | 26% | 0.263 | S | S | * | . | trans | 62.7 | 23.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1181 Y1182 G1188 | A1181-G1186 PolarHBondContact O-N 3.08Å; Y1182-G1186 WeakPolarHBondContact O-CA 3.47Å; G1186-G1188 VanDerWaalsContact C-N 3.3Å; G1186-G1188 PolarHBondContact O-N 2.72Å | ||
| 1187 | L | 89.6 | Confident | 86.1 | Confident | 57 Ų | 57 | 46.4 Ų | 46.4 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | trans | -86 | 7.4 | -167.6 | -55.1 | 173 | 0 | 0 | 0 | 114.2 | A1181 C1185 R1202 P1241 T1242 | A1181-L1187 HydrophobicContact CB-CD1 4.43Å; A1181-L1187 VanDerWaalsContact O-CB 3.28Å; A1181-L1187 WeakPolarHBondContact O-CB 3.44Å; A1181-L1187 WeakPolarHBondContact O-CG 3.46Å; A1181-L1187 PolarHBondContact O-N 3.37Å; C1185-L1187 HydrophobicContact CB-CD1 3.89Å; C1185-L1187 HydrophobicContact CB-CG 3.74Å; C1185-L1187 WeakPolarHBondContact O-CD2 3.08Å; C1185-L1187 WeakPolarHBondContact O-CG 3.45Å; C1185-L1187 PolarHBondContact O-N 3.33Å; L1187-R1202 VanDerWaalsContact O-CZ 3.27Å; L1187-R1202 PolarHBondContact O-NH1 2.58Å; L1187-R1202 PolarHBondContact O-NH2 3.13Å; L1187-P1241 HydrophobicContact CD1-CB 3.79Å; L1187-P1241 HydrophobicContact CD1-CG 4.09Å; L1187-P1241 HydrophobicContact CD2-CB 4.24Å; L1187-T1242 WeakPolarHBondContact CD1-OG1 3.25Å | ||
| 1188 | G | 79.8 | Confident | 85.8 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -151.1 | 168.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1182 G1186 | Y1182-G1188 VanDerWaalsContact CD1-CA 3.4Å; Y1182-G1188 VanDerWaalsContact CE1-CA 3.49Å; G1186-G1188 VanDerWaalsContact C-N 3.3Å; G1186-G1188 PolarHBondContact O-N 2.72Å |
| 1189 | S | 71.4 | Confident | 85.7 | Confident | 136 Ų | 136 | 49.7 Ų | 49.7 | 95% | 0.951 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -81.1 | -17.9 | -165.1 | -46.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1190 | S | 68.6 | Low | 85.6 | Confident | 50 Ų | 50 | 55.3 Ų | 55.3 | 35% | 0.35 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -130.8 | 159.5 | -178.4 | 56.5 | 0 | 0 | 0 | 0 | 110 | Y1182 H1192 | Y1182-S1190 WeakPolarHBondContact CD1-O 3.22Å; S1190-H1192 PolarHBondContact O-N 3.1Å; S1190-H1192 VanDerWaalsContact O-N 3.14Å; S1190-H1192 PolarHBondContact OG-O 2.81Å |
| 1191 | A | 65.3 | Low | 85.3 | Confident | 59 Ų | 59 | 60 Ų | 60 | 49% | 0.488 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -65.3 | -19.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1192 | H | 70 | Confident | 85.2 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -149.5 | 131.9 | -178.1 | -64.5 | -67 | 0 | 0 | 0 | 109.8 | E1179 K1183 S1190 | E1179-H1192 IonicContact OE2-CE1 2.66Å; K1183-H1192 WeakPolarHBondContact CE-CE1 3.45Å; K1183-H1192 WeakPolarHBondContact CE-NE2 3.41Å; K1183-H1192 PolarHBondContact NZ-CE1 3.18Å; K1183-H1192 PolarHBondContact NZ-NE2 2.86Å; K1183-H1192 VanDerWaalsContact NZ-NE2 3.11Å; S1190-H1192 PolarHBondContact O-N 3.1Å; S1190-H1192 VanDerWaalsContact O-N 3.14Å; S1190-H1192 PolarHBondContact OG-O 2.81Å |
| 1193 | P | 80.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 36% | 0.359 | C | S | . | . | trans | -77.4 | 133.2 | 172.1 | 29.8 | -31.8 | 0 | 0 | 0 | 110.7 | T1178 Y1182 E1198 L1199 P1219 | T1178-P1193 HydrophobicContact CG2-CG 3.49Å; T1178-P1193 VanDerWaalsContact CG2-CG 3.49Å; Y1182-P1193 HydrophobicContact CE1-CB 4.31Å; Y1182-P1193 HydrophobicContact CE1-CG 4.46Å; Y1182-P1193 HydrophobicContact CE2-CG 3.97Å; P1193-E1198 WeakPolarHBondContact CA-OE2 3.34Å; P1193-E1198 HydrophobicContact CB-CB 3.89Å; P1193-E1198 HydrophobicContact CB-CG 4.45Å; P1193-E1198 WeakPolarHBondContact CB-OE2 3.49Å; P1193-L1199 HydrophobicContact CG-CD2 4.28Å; P1193-P1219 HydrophobicContact CG-CB 4.13Å; P1193-P1219 HydrophobicContact CG-CG 4.31Å; P1193-P1219 VanDerWaalsContact O-CG 3.28Å; P1193-P1219 WeakPolarHBondContact O-CG 3.34Å | ||
| 1194 | D | 81.5 | Confident | 85.5 | Confident | 131 Ų | 131 | 58.3 Ų | 58.3 | 70% | 0.701 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -90.8 | -10.6 | 176.7 | -67.9 | -32.2 | 0 | 0 | 0 | 111.5 | E1198 | D1194-E1198 PolarHBondContact N-OE1 3.46Š|
| 1195 | S | 88.9 | Confident | 85.6 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -141 | 143.8 | -178.9 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | N1197 E1198 | S1195-N1197 PolarHBondContact O-N 3.25Å; S1195-N1197 VanDerWaalsContact O-N 3.11Å; S1195-N1197 PolarHBondContact OG-N 3.09Å; S1195-E1198 PolarHBondContact N-OE1 2.9Å; S1195-E1198 WeakPolarHBondContact O-CB 3.21Å; S1195-E1198 PolarHBondContact O-N 2.86Å |
| 1196 | F | 92.3 | Very high | 85.6 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 4% | 0.044 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -58.3 | -22.4 | 170.7 | -69.7 | -83.2 | 0 | 0 | 0 | 112.9 | E1198 L1199 L1212 R1213 P1219 I1222 | F1196-E1198 PolarHBondContact O-N 3.38Å; F1196-L1199 HydrophobicContact CD1-CD1 4.19Å; F1196-L1199 WeakPolarHBondContact O-CB 3.45Å; F1196-L1199 PolarHBondContact O-N 3.44Å; F1196-L1199 VanDerWaalsContact O-N 3.08Å; F1196-L1212 HydrophobicContact CD1-CB 4.03Å; F1196-L1212 HydrophobicContact CE1-CB 3.73Å; F1196-R1213 HydrophobicContact CD2-CB 3.92Å; F1196-R1213 HydrophobicContact CD2-CG 3.95Å; F1196-R1213 HydrophobicContact CE2-CB 3.89Å; F1196-R1213 HydrophobicContact CE2-CG 3.89Å; F1196-R1213 HydrophobicContact CG-CB 4.36Å; F1196-R1213 HydrophobicContact CZ-CB 4.29Å; F1196-P1219 HydrophobicContact CD1-CB 4.2Å; F1196-P1219 HydrophobicContact CE1-CB 4.13Å; F1196-P1219 HydrophobicContact CZ-CB 4.44Å; F1196-I1222 HydrophobicContact CE1-CD1 4.04Å |
| 1197 | N | 89.5 | Confident | 85.7 | Confident | 116 Ų | 116 | 65 Ų | 65 | 62% | 0.62 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -63.1 | -28.2 | 175.9 | -72.9 | -21.9 | 0 | 0 | 0 | 112.7 | S1195 L1199 K1200 | S1195-N1197 PolarHBondContact O-N 3.25Å; S1195-N1197 VanDerWaalsContact O-N 3.11Å; S1195-N1197 PolarHBondContact OG-N 3.09Å; N1197-L1199 PolarHBondContact O-N 3.44Å; N1197-K1200 WeakPolarHBondContact O-CB 3.24Å; N1197-K1200 PolarHBondContact O-N 3.11Å |
| 1198 | E | 89.2 | Confident | 86 | Confident | 70 Ų | 70 | 62.7 Ų | 62.7 | 33% | 0.327 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -71.5 | -14.6 | 176.9 | -64 | 177 | -124.8 | 0 | 0 | 112.8 | Y1182 P1193 D1194 S1195 F1196 K1200 | Y1182-E1198 PolarHBondContact OH-O 3.09Å; P1193-E1198 WeakPolarHBondContact CA-OE2 3.34Å; P1193-E1198 HydrophobicContact CB-CB 3.89Å; P1193-E1198 HydrophobicContact CB-CG 4.45Å; P1193-E1198 WeakPolarHBondContact CB-OE2 3.49Å; D1194-E1198 PolarHBondContact N-OE1 3.46Å; S1195-E1198 PolarHBondContact N-OE1 2.9Å; S1195-E1198 WeakPolarHBondContact O-CB 3.21Å; S1195-E1198 PolarHBondContact O-N 2.86Å; F1196-E1198 PolarHBondContact O-N 3.38Å; E1198-K1200 VanDerWaalsContact C-N 3.34Å |
| 1199 | L | 92 | Very high | 86.7 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -85.3 | -7.1 | 174.4 | -54.9 | -178.5 | 0 | 0 | 0 | 112.7 | Y1177 T1178 Y1182 P1193 F1196 N1197 S1201 R1202 I1203 L1209 P1219 I1222 | Y1177-L1199 HydrophobicContact CE1-CD2 4.24Å; T1178-L1199 HydrophobicContact CG2-CD2 4.37Å; Y1182-L1199 HydrophobicContact CE2-CD2 4.12Å; P1193-L1199 HydrophobicContact CG-CD2 4.28Å; F1196-L1199 HydrophobicContact CD1-CD1 4.19Å; F1196-L1199 WeakPolarHBondContact O-CB 3.45Å; F1196-L1199 PolarHBondContact O-N 3.44Å; F1196-L1199 VanDerWaalsContact O-N 3.08Å; N1197-L1199 PolarHBondContact O-N 3.44Å; L1199-S1201 PolarHBondContact O-N 2.95Å; L1199-S1201 VanDerWaalsContact O-N 3.16Å; L1199-R1202 WeakPolarHBondContact O-CG 3.42Å; L1199-R1202 PolarHBondContact O-N 3.45Å; L1199-R1202 VanDerWaalsContact O-N 3.08Å; L1199-I1203 HydrophobicContact CB-CD1 4.49Å; L1199-I1203 PolarHBondContact O-N 3.34Å; L1199-L1209 HydrophobicContact CB-CD2 3.93Å; L1199-P1219 HydrophobicContact CD1-CB 4.19Å; L1199-I1222 HydrophobicContact CD1-CD1 3.74Å |
| 1200 | K | 91.7 | Very high | 87.9 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 57% | 0.574 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -25.1 | -173.7 | -170.6 | 176.3 | 179.4 | -178.4 | 0 | 114.1 | N1197 E1198 R1202 L1209 | N1197-K1200 WeakPolarHBondContact O-CB 3.24Å; N1197-K1200 PolarHBondContact O-N 3.11Å; E1198-K1200 VanDerWaalsContact C-N 3.34Å; K1200-R1202 PolarHBondContact O-N 3.46Å; K1200-L1209 HydrophobicContact CB-CD1 4.25Å; K1200-L1209 HydrophobicContact CG-CD1 4.41Å |
| 1201 | S | 89.5 | Confident | 89.2 | Confident | 98 Ų | 98 | 58.7 Ų | 58.7 | 69% | 0.685 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.9 | 177.2 | 55.9 | 0 | 0 | 0 | 0 | 114 | L1199 | L1199-S1201 PolarHBondContact O-N 2.95Å; L1199-S1201 VanDerWaalsContact O-N 3.16Å |
| 1202 | R | 91.5 | Very high | 90.7 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 6% | 0.057 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | -20.1 | -174.7 | 58.4 | 180 | 108.4 | -93.3 | -2.8 | 113.1 | Y1177 Y1182 L1187 L1199 K1200 E1231 D1232 | Y1177-R1202 WeakPolarHBondContact OH-CD 3.42Å; Y1182-R1202 VanDerWaalsContact CZ-NH2 3.32Å; Y1182-R1202 PolarHBondContact OH-NH2 3.13Å; Y1182-R1202 VanDerWaalsContact OH-NH2 3.15Å; L1187-R1202 VanDerWaalsContact O-CZ 3.27Å; L1187-R1202 PolarHBondContact O-NH1 2.58Å; L1187-R1202 PolarHBondContact O-NH2 3.13Å; L1199-R1202 WeakPolarHBondContact O-CG 3.42Å; L1199-R1202 PolarHBondContact O-N 3.45Å; L1199-R1202 VanDerWaalsContact O-N 3.08Å; K1200-R1202 PolarHBondContact O-N 3.46Å; R1202-E1231 CarbonylContact O-C 3.56Å; R1202-E1231 WeakPolarHBondContact O-CA 3.37Å; R1202-D1232 PolarHBondContact O-N 3.4Å |
| 1203 | I | 94.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -126.9 | 83.2 | 172.9 | -58.3 | 173.3 | 0 | 0 | 0 | 106.1 | L1199 I1208 L1209 L1212 L1230 | L1199-I1203 HydrophobicContact CB-CD1 4.49Å; L1199-I1203 PolarHBondContact O-N 3.34Å; I1203-I1208 HydrophobicContact CG2-CB 3.98Å; I1203-I1208 HydrophobicContact CG2-CG2 3.62Å; I1203-L1209 HydrophobicContact CB-CD2 3.97Å; I1203-L1209 HydrophobicContact CG2-CD2 3.85Å; I1203-L1209 HydrophobicContact CG2-CG 4.15Å; I1203-L1212 HydrophobicContact CD1-CD1 3.9Å; I1203-L1230 HydrophobicContact CD1-CB 4.47Å | ||
| 1204 | S | 93.2 | Very high | 92.7 | Very high | 59 Ų | 59 | 66.2 Ų | 66.2 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | trans | -73.6 | -27.4 | -172.3 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | P1206 D1232 | S1204-P1206 VanDerWaalsContact O-CD 3.26Å; S1204-P1206 WeakPolarHBondContact O-CD 3.2Å; S1204-D1232 WeakPolarHBondContact CB-OD2 3.35Å; S1204-D1232 PolarHBondContact N-OD2 2.68Å; S1204-D1232 VanDerWaalsContact OG-CG 3.3Å; S1204-D1232 PolarHBondContact OG-OD1 2.92Å; S1204-D1232 PolarHBondContact OG-OD2 3.03Å | ||
| 1205 | K | 93.4 | Very high | 93.4 | Very high | 57 Ų | 57 | 60.7 Ų | 60.7 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | trans | -72 | 113.3 | -173 | -65.9 | 172.9 | -178.8 | 168.6 | 0 | 111.2 | S1137 N1139 Y1207 I1208 L1209 | S1137-K1205 PolarHBondContact O-NZ 2.91Å; N1139-K1205 PolarHBondContact ND2-NZ 3.09Å; K1205-Y1207 HydrophobicContact CB-CD1 4.26Å; K1205-Y1207 HydrophobicContact CB-CE1 3.89Å; K1205-Y1207 HydrophobicContact CD-CE1 4.23Å; K1205-Y1207 HydrophobicContact CG-CE1 4.34Å; K1205-Y1207 PolarHBondContact O-N 2.64Å; K1205-I1208 HydrophobicContact CB-CB 4.35Å; K1205-I1208 HydrophobicContact CB-CD1 3.81Å; K1205-I1208 HydrophobicContact CB-CG1 3.88Å; K1205-I1208 HydrophobicContact CD-CD1 3.66Å; K1205-I1208 HydrophobicContact CD-CG1 4.47Å; K1205-I1208 HydrophobicContact CG-CD1 4.32Å; K1205-I1208 WeakPolarHBondContact O-CB 3.3Å; K1205-I1208 PolarHBondContact O-N 2.98Å; K1205-L1209 PolarHBondContact O-N 3.21Å | ||
| 1206 | P | 94.3 | Very high | 93.8 | Very high | 99 Ų | 99 | 59 Ų | 59 | 64% | 0.643 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.3 | -36.5 | -172.1 | -26.6 | 35.7 | 0 | 0 | 0 | 114.9 | S1204 I1208 L1209 E1210 | S1204-P1206 VanDerWaalsContact O-CD 3.26Å; S1204-P1206 WeakPolarHBondContact O-CD 3.2Å; P1206-I1208 VanDerWaalsContact C-N 3.25Å; P1206-I1208 PolarHBondContact O-N 2.91Å; P1206-L1209 PolarHBondContact O-N 2.75Å; P1206-E1210 PolarHBondContact O-N 3.36Å |
| 1207 | Y | 93.9 | Very high | 94 | Very high | 139 Ų | 139 | 59.2 Ų | 59.2 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.8 | -26 | 179.2 | 71.3 | -92 | 0 | 0 | 0 | 112.8 | N1139 K1205 G1211 | N1139-Y1207 WeakPolarHBondContact CB-OH 3.36Å; N1139-Y1207 PolarHBondContact ND2-OH 3.45Å; K1205-Y1207 HydrophobicContact CB-CD1 4.26Å; K1205-Y1207 HydrophobicContact CB-CE1 3.89Å; K1205-Y1207 HydrophobicContact CD-CE1 4.23Å; K1205-Y1207 HydrophobicContact CG-CE1 4.34Å; K1205-Y1207 PolarHBondContact O-N 2.64Å; Y1207-G1211 PolarHBondContact O-N 2.97Å |
| 1208 | I | 95 | Very high | 94.2 | Very high | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.1 | -45.4 | 174.5 | -61 | -175.3 | 0 | 0 | 0 | 109.5 | I1203 K1205 P1206 E1210 G1211 L1212 L1230 | I1203-I1208 HydrophobicContact CG2-CB 3.98Å; I1203-I1208 HydrophobicContact CG2-CG2 3.62Å; K1205-I1208 HydrophobicContact CB-CB 4.35Å; K1205-I1208 HydrophobicContact CB-CD1 3.81Å; K1205-I1208 HydrophobicContact CB-CG1 3.88Å; K1205-I1208 HydrophobicContact CD-CD1 3.66Å; K1205-I1208 HydrophobicContact CD-CG1 4.47Å; K1205-I1208 HydrophobicContact CG-CD1 4.32Å; K1205-I1208 WeakPolarHBondContact O-CB 3.3Å; K1205-I1208 PolarHBondContact O-N 2.98Å; P1206-I1208 VanDerWaalsContact C-N 3.25Å; P1206-I1208 PolarHBondContact O-N 2.91Å; I1208-E1210 VanDerWaalsContact C-N 3.3Å; I1208-E1210 PolarHBondContact O-N 2.82Å; I1208-G1211 PolarHBondContact O-N 3.33Å; I1208-L1212 HydrophobicContact CG2-CD1 4.09Å; I1208-L1212 HydrophobicContact CG2-CG 4.44Å; I1208-L1212 WeakPolarHBondContact O-CB 3.46Å; I1208-L1212 WeakPolarHBondContact O-CG 3.42Å; I1208-L1212 PolarHBondContact O-N 3.47Å; I1208-L1230 HydrophobicContact CD1-CD2 4.35Å; I1208-L1230 HydrophobicContact CG2-CB 4.05Å; I1208-L1230 HydrophobicContact CG2-CD1 3.98Å; I1208-L1230 HydrophobicContact CG2-CD2 3.99Å; I1208-L1230 HydrophobicContact CG2-CG 4.23Å |
| 1209 | L | 95.1 | Very high | 94.4 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 9% | 0.089 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.9 | -67.6 | 176.3 | 0 | 0 | 0 | 111.6 | L1199 K1200 I1203 K1205 P1206 L1212 R1213 | L1199-L1209 HydrophobicContact CB-CD2 3.93Å; K1200-L1209 HydrophobicContact CB-CD1 4.25Å; K1200-L1209 HydrophobicContact CG-CD1 4.41Å; I1203-L1209 HydrophobicContact CB-CD2 3.97Å; I1203-L1209 HydrophobicContact CG2-CD2 3.85Å; I1203-L1209 HydrophobicContact CG2-CG 4.15Å; K1205-L1209 PolarHBondContact O-N 3.21Å; P1206-L1209 PolarHBondContact O-N 2.75Å; L1209-L1212 PolarHBondContact O-N 3.04Å; L1209-R1213 WeakPolarHBondContact O-CB 3.26Å; L1209-R1213 PolarHBondContact O-N 2.95Å |
| 1210 | E | 96 | Very high | 94.4 | Very high | 108 Ų | 108 | 52.8 Ų | 52.8 | 51% | 0.505 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 176.6 | -171.6 | 55.1 | -146.9 | 0 | 0 | 112.2 | P1206 I1208 R1213 R1214 | P1206-E1210 PolarHBondContact O-N 3.36Å; I1208-E1210 VanDerWaalsContact C-N 3.3Å; I1208-E1210 PolarHBondContact O-N 2.82Å; E1210-R1213 WeakPolarHBondContact O-CB 3.31Å; E1210-R1213 PolarHBondContact O-N 3.46Å; E1210-R1214 WeakPolarHBondContact O-CB 3.32Å; E1210-R1214 PolarHBondContact O-N 3.46Å |
| 1211 | G | 96.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | L751 Y1207 I1208 R1213 R1214 V1215 | L751-G1211 VanDerWaalsContact CD2-C 3.49Å; Y1207-G1211 PolarHBondContact O-N 2.97Å; I1208-G1211 PolarHBondContact O-N 3.33Å; G1211-R1213 VanDerWaalsContact C-N 3.32Å; G1211-R1213 PolarHBondContact O-N 3.44Å; G1211-R1214 PolarHBondContact O-N 2.72Å; G1211-V1215 WeakPolarHBondContact O-CB 3.34Å; G1211-V1215 VanDerWaalsContact O-CG2 3.3Å; G1211-V1215 WeakPolarHBondContact O-CG2 3.15Å; G1211-V1215 PolarHBondContact O-N 2.9Å |
| 1212 | L | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 176.5 | -76.1 | 168.5 | 0 | 0 | 0 | 111.3 | L751 F1196 I1203 I1208 L1209 V1215 Y1216 I1222 T1226 L1230 | L751-L1212 HydrophobicContact CD1-CD2 3.79Å; L751-L1212 HydrophobicContact CD1-CG 4.49Å; F1196-L1212 HydrophobicContact CD1-CB 4.03Å; F1196-L1212 HydrophobicContact CE1-CB 3.73Å; I1203-L1212 HydrophobicContact CD1-CD1 3.9Å; I1208-L1212 HydrophobicContact CG2-CD1 4.09Å; I1208-L1212 HydrophobicContact CG2-CG 4.44Å; I1208-L1212 WeakPolarHBondContact O-CB 3.46Å; I1208-L1212 WeakPolarHBondContact O-CG 3.42Å; I1208-L1212 PolarHBondContact O-N 3.47Å; L1209-L1212 PolarHBondContact O-N 3.04Å; L1212-V1215 PolarHBondContact O-N 3.42Å; L1212-Y1216 HydrophobicContact CD2-CD2 3.92Å; L1212-Y1216 HydrophobicContact CD2-CE2 4.06Å; L1212-Y1216 WeakPolarHBondContact O-CB 3.43Å; L1212-Y1216 PolarHBondContact O-N 3.14Å; L1212-I1222 HydrophobicContact CD1-CD1 4.29Å; L1212-I1222 HydrophobicContact CD2-CD1 4.09Å; L1212-I1222 HydrophobicContact CD2-CG1 4.13Å; L1212-I1222 HydrophobicContact CD2-CG2 4.29Å; L1212-T1226 HydrophobicContact CD2-CG2 4.44Å; L1212-L1230 HydrophobicContact CD1-CD1 4.32Å; L1212-L1230 HydrophobicContact CD2-CD1 3.84Å; L1212-L1230 HydrophobicContact CG-CD1 4.18Å |
| 1213 | R | 96.4 | Very high | 95.2 | Very high | 131 Ų | 131 | 42 Ų | 42 | 49% | 0.494 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.7 | -48.9 | 174.7 | -171.9 | -177 | -169 | 114.3 | 6.1 | 111.7 | F1196 L1209 E1210 G1211 G1217 | F1196-R1213 HydrophobicContact CD2-CB 3.92Å; F1196-R1213 HydrophobicContact CD2-CG 3.95Å; F1196-R1213 HydrophobicContact CE2-CB 3.89Å; F1196-R1213 HydrophobicContact CE2-CG 3.89Å; F1196-R1213 HydrophobicContact CG-CB 4.36Å; F1196-R1213 HydrophobicContact CZ-CB 4.29Å; L1209-R1213 WeakPolarHBondContact O-CB 3.26Å; L1209-R1213 PolarHBondContact O-N 2.95Å; E1210-R1213 WeakPolarHBondContact O-CB 3.31Å; E1210-R1213 PolarHBondContact O-N 3.46Å; G1211-R1213 VanDerWaalsContact C-N 3.32Å; G1211-R1213 PolarHBondContact O-N 3.44Å; R1213-G1217 VanDerWaalsContact O-CA 3.29Å; R1213-G1217 WeakPolarHBondContact O-CA 3.38Å; R1213-G1217 PolarHBondContact O-N 2.93Å |
| 1214 | R | 96.4 | Very high | 95.4 | Very high | 158 Ų | 158 | 42.2 Ų | 42.2 | 60% | 0.596 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63.1 | -41 | 179.7 | -177.1 | 174.2 | 68.7 | -143.6 | 3.5 | 112.8 | E750 E1210 G1211 | E750-R1214 IonicContact OE2-CZ 2.86Å; E750-R1214 IonicContact OE2-NE 2.79Å; E750-R1214 IonicContact OE2-NH2 3.08Å; E750-R1214 PolarHBondContact OE2-NH2 3.47Å; E1210-R1214 WeakPolarHBondContact O-CB 3.32Å; E1210-R1214 PolarHBondContact O-N 3.46Å; G1211-R1214 PolarHBondContact O-N 2.72Å |
| 1215 | V | 96.8 | Very high | 95.6 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 9% | 0.085 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -84.8 | -41.6 | -173 | 173.7 | 0 | 0 | 0 | 0 | 112.7 | P742 V747 E750 L751 G1211 L1212 | P742-V1215 HydrophobicContact CB-CG1 3.96Å; P742-V1215 WeakPolarHBondContact CB-O 3.48Å; P742-V1215 HydrophobicContact CG-CG1 3.96Å; P742-V1215 WeakPolarHBondContact CG-O 3.44Å; V747-V1215 HydrophobicContact CG2-CG1 3.87Å; E750-V1215 HydrophobicContact CB-CG2 3.58Å; E750-V1215 HydrophobicContact CG-CG2 3.98Å; L751-V1215 HydrophobicContact CD1-CB 4.18Å; L751-V1215 HydrophobicContact CD1-CG1 4.19Å; L751-V1215 HydrophobicContact CD1-CG2 4.32Å; L751-V1215 HydrophobicContact CG-CG2 4.26Å; G1211-V1215 WeakPolarHBondContact O-CB 3.34Å; G1211-V1215 VanDerWaalsContact O-CG2 3.3Å; G1211-V1215 WeakPolarHBondContact O-CG2 3.15Å; G1211-V1215 PolarHBondContact O-N 2.9Å; L1212-V1215 PolarHBondContact O-N 3.42Å |
| 1216 | Y | 96.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -103 | -18.3 | -173.7 | -75.9 | -75.1 | 0 | 0 | 0 | 114.6 | P742 V747 L751 L1212 H1218 N1221 I1222 D1223 T1226 | P742-Y1216 HydrophobicContact CG-CD1 3.61Å; P742-Y1216 HydrophobicContact CG-CE1 3.68Å; P742-Y1216 HydrophobicContact CG-CG 4.3Å; V747-Y1216 HydrophobicContact CG1-CE2 4.36Å; V747-Y1216 WeakPolarHBondContact CG1-OH 3.29Å; V747-Y1216 HydrophobicContact CG2-CE1 4.28Å; V747-Y1216 HydrophobicContact CG2-CE2 4.3Å; L751-Y1216 HydrophobicContact CD1-CD2 4.29Å; L751-Y1216 HydrophobicContact CD1-CE2 3.88Å; L1212-Y1216 HydrophobicContact CD2-CD2 3.92Å; L1212-Y1216 HydrophobicContact CD2-CE2 4.06Å; L1212-Y1216 WeakPolarHBondContact O-CB 3.43Å; L1212-Y1216 PolarHBondContact O-N 3.14Å; Y1216-H1218 PolarHBondContact O-N 2.68Å; Y1216-N1221 HydrophobicContact CD1-CB 3.9Å; Y1216-N1221 WeakPolarHBondContact CD1-O 3.5Å; Y1216-N1221 WeakPolarHBondContact CE1-O 3.21Å; Y1216-N1221 HydrophobicContact CG-CB 4.44Å; Y1216-N1221 PolarHBondContact O-ND2 3.31Å; Y1216-I1222 HydrophobicContact CD2-CG1 4.02Å; Y1216-I1222 HydrophobicContact CE2-CG1 4.46Å; Y1216-I1222 HydrophobicContact CE2-CG2 4.4Å; Y1216-I1222 HydrophobicContact CG-CG1 4.21Å; Y1216-D1223 VanDerWaalsContact CE1-OD2 3.24Å; Y1216-D1223 WeakPolarHBondContact CE1-OD2 3.37Å; Y1216-D1223 PolarHBondContact OH-N 2.94Å; Y1216-D1223 PolarHBondContact OH-OD2 2.93Å; Y1216-T1226 HydrophobicContact CE2-CG2 4.04Å; Y1216-T1226 PolarHBondContact OH-OG1 2.88Å; Y1216-T1226 VanDerWaalsContact OH-OG1 3.14Å |
| 1217 | G | 95.5 | Very high | 96 | Very high | 15 Ų | 15 | 32.2 Ų | 32.2 | 16% | 0.155 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 72 | -39.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y739 R1213 | Y739-G1217 WeakPolarHBondContact CE2-O 3.14Å; R1213-G1217 VanDerWaalsContact O-CA 3.29Å; R1213-G1217 WeakPolarHBondContact O-CA 3.38Å; R1213-G1217 PolarHBondContact O-N 2.93Å |
| 1218 | H | 94.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 25.6 Ų | 25.6 | 18% | 0.176 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -135.9 | 140.9 | -179.3 | -169.1 | -91.2 | 0 | 0 | 0 | 111.1 | F737 Y739 Y1216 G1220 N1221 | F737-H1218 HydrophobicContact CB-CB 3.75Å; F737-H1218 AromaticContact CD1-CE1 3.65Å; F737-H1218 AromaticContact CD1-ND1 3.65Å; F737-H1218 AromaticContact CG-CE1 3.98Å; F737-H1218 AromaticContact CG-ND1 3.49Å; F737-H1218 WeakPolarHBondContact CG-ND1 3.41Å; Y739-H1218 HydrophobicContact CD2-CB 3.92Å; Y739-H1218 HydrophobicContact CE2-CB 4.09Å; Y1216-H1218 PolarHBondContact O-N 2.68Å; H1218-G1220 VanDerWaalsContact C-N 3.26Å; H1218-G1220 PolarHBondContact ND1-N 2.95Å; H1218-G1220 PolarHBondContact O-N 3.36Å; H1218-N1221 WeakPolarHBondContact O-CB 3.44Å; H1218-N1221 PolarHBondContact O-N 2.67Å |
| 1219 | P | 93.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.013 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -61.4 | -31.1 | -178.6 | 25.1 | -36.6 | 0 | 0 | 0 | 113.5 | T1178 P1193 F1196 L1199 N1221 I1222 | T1178-P1219 HydrophobicContact CG2-CB 4.4Å; T1178-P1219 WeakPolarHBondContact CG2-O 3.45Å; P1193-P1219 HydrophobicContact CG-CB 4.13Å; P1193-P1219 HydrophobicContact CG-CG 4.31Å; P1193-P1219 VanDerWaalsContact O-CG 3.28Å; P1193-P1219 WeakPolarHBondContact O-CG 3.34Å; F1196-P1219 HydrophobicContact CD1-CB 4.2Å; F1196-P1219 HydrophobicContact CE1-CB 4.13Å; F1196-P1219 HydrophobicContact CZ-CB 4.44Å; L1199-P1219 HydrophobicContact CD1-CB 4.19Å; P1219-N1221 PolarHBondContact O-N 2.86Å; P1219-N1221 VanDerWaalsContact O-N 3.17Å; P1219-I1222 HydrophobicContact CB-CD1 4.42Å; P1219-I1222 WeakPolarHBondContact O-CD1 3.35Å; P1219-I1222 VanDerWaalsContact O-CG1 3.26Å; P1219-I1222 WeakPolarHBondContact O-CG1 3.47Å; P1219-I1222 PolarHBondContact O-N 2.98Å |
| 1220 | G | 91.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 25 Ų | 25 | 12% | 0.124 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -63.7 | -14.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | H1218 | H1218-G1220 VanDerWaalsContact C-N 3.26Å; H1218-G1220 PolarHBondContact ND1-N 2.95Å; H1218-G1220 PolarHBondContact O-N 3.36Å |
| 1221 | N | 94.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.027 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -88 | -10.8 | 178 | -80.4 | -23.8 | 0 | 0 | 0 | 114.3 | Y736 F737 K741 Y1216 H1218 P1219 D1223 | Y736-N1221 WeakPolarHBondContact CB-OD1 3.23Å; Y736-N1221 PolarHBondContact O-ND2 3.19Å; Y736-N1221 PolarHBondContact O-OD1 3.32Å; F737-N1221 WeakPolarHBondContact CD2-OD1 3.39Å; K741-N1221 PolarHBondContact NZ-O 3.11Å; Y1216-N1221 HydrophobicContact CD1-CB 3.9Å; Y1216-N1221 WeakPolarHBondContact CD1-O 3.5Å; Y1216-N1221 WeakPolarHBondContact CE1-O 3.21Å; Y1216-N1221 HydrophobicContact CG-CB 4.44Å; Y1216-N1221 PolarHBondContact O-ND2 3.31Å; H1218-N1221 WeakPolarHBondContact O-CB 3.44Å; H1218-N1221 PolarHBondContact O-N 2.67Å; P1219-N1221 PolarHBondContact O-N 2.86Å; P1219-N1221 VanDerWaalsContact O-N 3.17Å; N1221-D1223 PolarHBondContact O-N 2.98Å |
| 1222 | I | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -62.7 | 125.3 | -175.4 | -59.8 | 169.4 | 0 | 0 | 0 | 109.6 | G1176 Y1177 F1196 L1199 L1212 Y1216 P1219 | G1176-I1222 CarbonylContact C-O 3.51Å; G1176-I1222 WeakPolarHBondContact CA-O 3.45Å; Y1177-I1222 HydrophobicContact CD1-CB 4.49Å; Y1177-I1222 HydrophobicContact CD1-CD1 4.48Å; Y1177-I1222 HydrophobicContact CD1-CG2 4.2Å; Y1177-I1222 HydrophobicContact CG-CG2 4.26Å; Y1177-I1222 PolarHBondContact N-O 2.99Å; F1196-I1222 HydrophobicContact CE1-CD1 4.04Å; L1199-I1222 HydrophobicContact CD1-CD1 3.74Å; L1212-I1222 HydrophobicContact CD1-CD1 4.29Å; L1212-I1222 HydrophobicContact CD2-CD1 4.09Å; L1212-I1222 HydrophobicContact CD2-CG1 4.13Å; L1212-I1222 HydrophobicContact CD2-CG2 4.29Å; Y1216-I1222 HydrophobicContact CD2-CG1 4.02Å; Y1216-I1222 HydrophobicContact CE2-CG1 4.46Å; Y1216-I1222 HydrophobicContact CE2-CG2 4.4Å; Y1216-I1222 HydrophobicContact CG-CG1 4.21Å; P1219-I1222 HydrophobicContact CB-CD1 4.42Å; P1219-I1222 WeakPolarHBondContact O-CD1 3.35Å; P1219-I1222 VanDerWaalsContact O-CG1 3.26Å; P1219-I1222 WeakPolarHBondContact O-CG1 3.47Å; P1219-I1222 PolarHBondContact O-N 2.98Å | ||
| 1223 | D | 98.1 | Very high | 96.2 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 7% | 0.07 | 12% | 0.115 | C | C | . | . | B | Isolated β-bridge | trans | -68.4 | 141.4 | 175.8 | -60 | -68.2 | 0 | 0 | 0 | 110.4 | K741 V1166 R1170 Y1216 N1221 F1225 T1226 G1227 | K741-D1223 WeakPolarHBondContact CE-OD1 3.34Å; K741-D1223 IonicContact NZ-OD1 2.84Å; K741-D1223 PolarHBondContact NZ-OD1 3.14Å; K741-D1223 IonicContact NZ-OD2 3.92Å; V1166-D1223 HydrophobicContact CG1-CB 4.26Å; V1166-D1223 WeakPolarHBondContact CG1-OD2 3.41Å; R1170-D1223 IonicContact CZ-OD1 2.6Å; R1170-D1223 IonicContact CZ-OD2 2.76Å; R1170-D1223 IonicContact NE-OD1 3.33Å; R1170-D1223 PolarHBondContact NE-OD1 3.19Å; R1170-D1223 VanDerWaalsContact NE-OD1 3.07Å; R1170-D1223 IonicContact NE-OD2 3.79Å; R1170-D1223 PolarHBondContact NE-OD2 2.59Å; R1170-D1223 IonicContact NH2-OD1 3.24Å; R1170-D1223 IonicContact NH2-OD2 2.98Å; R1170-D1223 PolarHBondContact NH2-OD2 2.75Å; Y1216-D1223 VanDerWaalsContact CE1-OD2 3.24Å; Y1216-D1223 WeakPolarHBondContact CE1-OD2 3.37Å; Y1216-D1223 PolarHBondContact OH-N 2.94Å; Y1216-D1223 PolarHBondContact OH-OD2 2.93Å; N1221-D1223 PolarHBondContact O-N 2.98Å; D1223-F1225 VanDerWaalsContact C-N 3.31Å; D1223-F1225 PolarHBondContact O-N 2.73Å; D1223-T1226 PolarHBondContact O-N 3.18Å; D1223-G1227 PolarHBondContact O-N 3.26Å |
| 1224 | L | 98 | Very high | 96.1 | Very high | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -51.9 | -46.5 | -176.1 | 176 | 59.6 | 0 | 0 | 0 | 113 | E1071 A1075 L1174 Y1177 Y1180 T1226 G1227 G1228 T1242 F1243 I1246 | E1071-L1224 HydrophobicContact CB-CD2 4.33Å; E1071-L1224 HydrophobicContact CG-CD2 4.36Å; A1075-L1224 HydrophobicContact CB-CB 4.31Å; A1075-L1224 HydrophobicContact CB-CD2 3.66Å; A1075-L1224 HydrophobicContact CB-CG 3.77Å; L1174-L1224 HydrophobicContact CD1-CD2 4.32Å; Y1177-L1224 HydrophobicContact CD2-CD1 4.38Å; Y1180-L1224 HydrophobicContact CD2-CB 4.31Å; Y1180-L1224 HydrophobicContact CD2-CD1 3.67Å; Y1180-L1224 HydrophobicContact CD2-CD2 3.74Å; Y1180-L1224 HydrophobicContact CD2-CG 4.09Å; Y1180-L1224 HydrophobicContact CE2-CB 4.41Å; Y1180-L1224 HydrophobicContact CE2-CD1 4.42Å; Y1180-L1224 HydrophobicContact CE2-CD2 3.67Å; Y1180-L1224 HydrophobicContact CE2-CG 4.37Å; Y1180-L1224 HydrophobicContact CG-CD1 4Å; Y1180-L1224 HydrophobicContact CG-CD2 4.24Å; L1224-T1226 PolarHBondContact O-N 3Å; L1224-G1227 PolarHBondContact O-N 2.85Å; L1224-G1228 PolarHBondContact O-N 2.92Å; L1224-T1242 HydrophobicContact CD1-CG2 4.44Å; L1224-F1243 HydrophobicContact CD1-CE1 4.1Å; L1224-F1243 HydrophobicContact CG-CE1 4.25Å; L1224-I1246 HydrophobicContact CD1-CD1 4.36Å; L1224-I1246 HydrophobicContact CD2-CD1 4.4Å |
| 1225 | F | 98.1 | Very high | 96 | Very high | 5 Ų | 5 | 16.7 Ų | 16.7 | 2% | 0.022 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.9 | -50.1 | 177.4 | 179.9 | -104.5 | 0 | 0 | 0 | 111.3 | L752 A1075 R1078 N1165 V1166 D1223 I1229 | L752-F1225 HydrophobicContact CD1-CD1 4.29Å; L752-F1225 HydrophobicContact CD1-CE1 4.04Å; A1075-F1225 HydrophobicContact CB-CB 4.36Å; R1078-F1225 HydrophobicContact CB-CD2 4.22Å; R1078-F1225 HydrophobicContact CB-CE2 3.81Å; N1165-F1225 HydrophobicContact CB-CD1 3.71Å; N1165-F1225 HydrophobicContact CB-CD2 4.13Å; N1165-F1225 HydrophobicContact CB-CE1 3.71Å; N1165-F1225 HydrophobicContact CB-CE2 4.14Å; N1165-F1225 HydrophobicContact CB-CG 3.93Å; N1165-F1225 HydrophobicContact CB-CZ 3.94Å; N1165-F1225 WeakPolarHBondContact ND2-CZ 3.12Å; V1166-F1225 HydrophobicContact CG2-CD1 4.14Å; D1223-F1225 VanDerWaalsContact C-N 3.31Å; D1223-F1225 PolarHBondContact O-N 2.73Å; F1225-I1229 HydrophobicContact CD2-CG1 4.21Å; F1225-I1229 HydrophobicContact CE1-CG1 4.36Å; F1225-I1229 HydrophobicContact CE2-CD1 4.16Å; F1225-I1229 HydrophobicContact CE2-CG1 3.92Å; F1225-I1229 HydrophobicContact CZ-CD1 4.44Å; F1225-I1229 HydrophobicContact CZ-CG1 4Å; F1225-I1229 WeakPolarHBondContact O-CB 3.47Å; F1225-I1229 WeakPolarHBondContact O-CG1 3.41Å; F1225-I1229 PolarHBondContact O-N 3.3Å; F1225-I1229 VanDerWaalsContact O-N 3.16Å |
| 1226 | T | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.4 | -48.5 | -178.6 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | V747 L751 L752 V1166 L1212 Y1216 D1223 L1224 I1229 L1230 | V747-T1226 HydrophobicContact CG1-CG2 3.84Å; V747-T1226 WeakPolarHBondContact CG1-OG1 3.36Å; L751-T1226 HydrophobicContact CD1-CG2 3.97Å; L752-T1226 HydrophobicContact CD2-CG2 4.4Å; V1166-T1226 WeakPolarHBondContact CG2-OG1 3.34Å; L1212-T1226 HydrophobicContact CD2-CG2 4.44Å; Y1216-T1226 HydrophobicContact CE2-CG2 4.04Å; Y1216-T1226 PolarHBondContact OH-OG1 2.88Å; Y1216-T1226 VanDerWaalsContact OH-OG1 3.14Å; D1223-T1226 PolarHBondContact O-N 3.18Å; L1224-T1226 PolarHBondContact O-N 3Å; T1226-I1229 PolarHBondContact O-N 3.31Å; T1226-L1230 HydrophobicContact CG2-CD1 3.74Å; T1226-L1230 WeakPolarHBondContact O-CB 3.39Å; T1226-L1230 VanDerWaalsContact O-CG 3.25Å; T1226-L1230 WeakPolarHBondContact O-CG 3.3Å; T1226-L1230 PolarHBondContact O-N 3.31Å |
| 1227 | G | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63 | -48.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1223 L1224 I1229 L1230 E1231 | D1223-G1227 PolarHBondContact O-N 3.26Å; L1224-G1227 PolarHBondContact O-N 2.85Å; G1227-I1229 VanDerWaalsContact C-N 3.32Å; G1227-I1229 PolarHBondContact O-N 2.97Å; G1227-L1230 PolarHBondContact O-N 2.83Å; G1227-E1231 PolarHBondContact O-N 3.49Å |
| 1228 | G | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.8 | -24.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1224 | L1224-G1228 PolarHBondContact O-N 2.92Å |
| 1229 | I | 96.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -75.8 | -34.7 | 173.4 | -67.8 | -62.2 | 0 | 0 | 0 | 112.3 | L752 F1079 T1082 S1141 L1142 F1225 T1226 G1227 F1243 | L752-I1229 HydrophobicContact CD2-CB 4.46Å; L752-I1229 HydrophobicContact CD2-CG2 4.02Å; F1079-I1229 HydrophobicContact CB-CD1 4.15Å; T1082-I1229 HydrophobicContact CG2-CD1 3.7Å; T1082-I1229 HydrophobicContact CG2-CG2 3.85Å; S1141-I1229 VanDerWaalsContact CB-CG2 3.47Å; L1142-I1229 HydrophobicContact CD1-CG2 4.48Å; F1225-I1229 HydrophobicContact CD2-CG1 4.21Å; F1225-I1229 HydrophobicContact CE1-CG1 4.36Å; F1225-I1229 HydrophobicContact CE2-CD1 4.16Å; F1225-I1229 HydrophobicContact CE2-CG1 3.92Å; F1225-I1229 HydrophobicContact CZ-CD1 4.44Å; F1225-I1229 HydrophobicContact CZ-CG1 4Å; F1225-I1229 WeakPolarHBondContact O-CB 3.47Å; F1225-I1229 WeakPolarHBondContact O-CG1 3.41Å; F1225-I1229 PolarHBondContact O-N 3.3Å; F1225-I1229 VanDerWaalsContact O-N 3.16Å; T1226-I1229 PolarHBondContact O-N 3.31Å; G1227-I1229 VanDerWaalsContact C-N 3.32Å; G1227-I1229 PolarHBondContact O-N 2.97Å; I1229-F1243 HydrophobicContact CD1-CD2 4.47Å; I1229-F1243 HydrophobicContact CD1-CE2 3.76Å; I1229-F1243 HydrophobicContact CG1-CE2 4Å |
| 1230 | L | 96.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 19.2 Ų | 19.2 | 3% | 0.031 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -85 | -7.1 | -175.7 | -68.1 | 173.4 | 0 | 0 | 0 | 114 | L751 L752 I1203 I1208 L1212 T1226 G1227 | L751-L1230 HydrophobicContact CB-CD1 4.26Å; L751-L1230 HydrophobicContact CD1-CD1 4.48Å; L752-L1230 HydrophobicContact CD2-CD2 4.25Å; L752-L1230 HydrophobicContact CD2-CG 4.29Å; I1203-L1230 HydrophobicContact CD1-CB 4.47Å; I1208-L1230 HydrophobicContact CD1-CD2 4.35Å; I1208-L1230 HydrophobicContact CG2-CB 4.05Å; I1208-L1230 HydrophobicContact CG2-CD1 3.98Å; I1208-L1230 HydrophobicContact CG2-CD2 3.99Å; I1208-L1230 HydrophobicContact CG2-CG 4.23Å; L1212-L1230 HydrophobicContact CD1-CD1 4.32Å; L1212-L1230 HydrophobicContact CD2-CD1 3.84Å; L1212-L1230 HydrophobicContact CG-CD1 4.18Å; T1226-L1230 HydrophobicContact CG2-CD1 3.74Å; T1226-L1230 WeakPolarHBondContact O-CB 3.39Å; T1226-L1230 VanDerWaalsContact O-CG 3.25Å; T1226-L1230 WeakPolarHBondContact O-CG 3.3Å; T1226-L1230 PolarHBondContact O-N 3.31Å; G1227-L1230 PolarHBondContact O-N 2.83Å |
| 1231 | E | 95.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 3% | 0.033 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -59.2 | 145.7 | 168.9 | -71.6 | -175.2 | 155.9 | 0 | 0 | 111.7 | Y1177 R1202 G1227 G1240 P1241 T1242 | Y1177-E1231 HydrophobicContact CE2-CG 4.26Å; Y1177-E1231 WeakPolarHBondContact CE2-OE1 3.42Å; Y1177-E1231 WeakPolarHBondContact OH-CG 3.25Å; Y1177-E1231 PolarHBondContact OH-OE1 3.36Å; R1202-E1231 CarbonylContact O-C 3.56Å; R1202-E1231 WeakPolarHBondContact O-CA 3.37Å; G1227-E1231 PolarHBondContact O-N 3.49Å; E1231-G1240 WeakPolarHBondContact OE2-CA 3.34Å; E1231-P1241 VanDerWaalsContact OE2-CD 3.25Å; E1231-P1241 WeakPolarHBondContact OE2-CD 3.33Å; E1231-P1241 VanDerWaalsContact OE2-N 3.15Å; E1231-T1242 VanDerWaalsContact OE1-CB 3.25Å; E1231-T1242 WeakPolarHBondContact OE1-CB 3.43Å; E1231-T1242 PolarHBondContact OE1-OG1 3.01Å; E1231-T1242 WeakPolarHBondContact OE2-CB 3.42Å; E1231-T1242 PolarHBondContact OE2-N 3.03Å |
| 1232 | D | 95.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 19.6 Ų | 19.6 | 25% | 0.251 | 11% | 0.109 | S | C | . | . | P | Polyproline II helix | trans | -62.9 | 138.4 | 165.1 | -64.7 | -40.1 | 0 | 0 | 0 | 109.3 | R1202 S1204 G1240 | R1202-D1232 PolarHBondContact O-N 3.4Å; S1204-D1232 WeakPolarHBondContact CB-OD2 3.35Å; S1204-D1232 PolarHBondContact N-OD2 2.68Å; S1204-D1232 VanDerWaalsContact OG-CG 3.3Å; S1204-D1232 PolarHBondContact OG-OD1 2.92Å; S1204-D1232 PolarHBondContact OG-OD2 3.03Å; D1232-G1240 WeakPolarHBondContact O-CA 3.46Å |
| 1233 | L | 95.5 | Very high | 96.3 | Very high | 55 Ų | 55 | 19.6 Ų | 19.6 | 29% | 0.288 | 11% | 0.109 | S | C | . | . | P | Polyproline II helix | trans | -69.3 | 142.3 | -178.3 | -54.3 | 177.2 | 0 | 0 | 0 | 110.3 | R1136 | R1136-L1233 HydrophobicContact CB-CD1 3.7Å; R1136-L1233 HydrophobicContact CB-CD2 4.4Å |
| 1234 | L | 95.3 | Very high | 96.3 | Very high | 32 Ų | 32 | 19 Ų | 19 | 17% | 0.168 | 11% | 0.105 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 153.7 | 167.2 | -67.4 | 174.2 | 0 | 0 | 0 | 110.4 | D1049 D1236 A1237 V1239 P1241 A1244 | D1049-L1234 HydrophobicContact CB-CD1 4.35Å; L1234-D1236 PolarHBondContact O-N 3.06Å; L1234-A1237 HydrophobicContact CB-CB 3.67Å; L1234-A1237 WeakPolarHBondContact O-CB 3.33Å; L1234-A1237 PolarHBondContact O-N 3.1Å; L1234-V1239 PolarHBondContact N-O 2.78Å; L1234-P1241 HydrophobicContact CD2-CB 4.2Å; L1234-A1244 HydrophobicContact CD1-CB 3.59Å |
| 1235 | P | 93.5 | Very high | 96.3 | Very high | 88 Ų | 88 | 19.9 Ų | 19.9 | 57% | 0.571 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 128.3 | 178.4 | -26.8 | 35.6 | 0 | 0 | 0 | 112.5 | A1237 | P1235-A1237 PolarHBondContact O-N 2.89Š|
| 1236 | D | 90.9 | Very high | 96.4 | Very high | 103 Ų | 103 | 19.7 Ų | 19.7 | 55% | 0.551 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | -3 | -175.8 | -67.2 | -53 | 0 | 0 | 0 | 116.9 | K822 L1234 R1238 | K822-D1236 IonicContact NZ-OD1 2.89Å; K822-D1236 PolarHBondContact NZ-OD1 3.31Å; L1234-D1236 PolarHBondContact O-N 3.06Å; D1236-R1238 PolarHBondContact O-NH1 3.31Å |
| 1237 | A | 95.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 2% | 0.017 | 11% | 0.111 | C | C | . | . | trans | -78.3 | 170.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1045 L1046 L1234 P1235 | I1045-A1237 WeakPolarHBondContact O-CB 3.3Å; L1046-A1237 WeakPolarHBondContact O-CB 3.3Å; L1234-A1237 HydrophobicContact CB-CB 3.67Å; L1234-A1237 WeakPolarHBondContact O-CB 3.33Å; L1234-A1237 PolarHBondContact O-N 3.1Å; P1235-A1237 PolarHBondContact O-N 2.89Å | ||
| 1238 | R | 96 | Very high | 96.4 | Very high | 18 Ų | 18 | 19.8 Ų | 19.8 | 7% | 0.068 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -118.7 | 23.1 | 169.8 | -65.2 | -63.5 | 174.5 | -68.8 | -3.2 | 111.5 | D820 F823 I1045 F1079 M1083 R1136 D1236 | D820-R1238 IonicContact OD1-NH2 2.68Å; D820-R1238 IonicContact OD2-CZ 3.11Å; D820-R1238 VanDerWaalsContact OD2-CZ 3.25Å; D820-R1238 IonicContact OD2-NE 2.72Å; D820-R1238 PolarHBondContact OD2-NE 3.38Å; D820-R1238 IonicContact OD2-NH2 3.65Å; D820-R1238 PolarHBondContact OD2-NH2 3.47Å; F823-R1238 HydrophobicContact CD2-CG 4.23Å; F823-R1238 HydrophobicContact CE2-CG 4.13Å; F823-R1238 VanDerWaalsContact CE2-NH1 3.33Å; I1045-R1238 HydrophobicContact CD1-CB 4.25Å; I1045-R1238 PolarHBondContact O-N 3.27Å; F1079-R1238 HydrophobicContact CE2-CB 4.5Å; M1083-R1238 HydrophobicContact SD-CB 4.12Å; M1083-R1238 HydrophobicContact SD-CG 4.3Å; R1136-R1238 WeakPolarHBondContact CD-O 3.43Å; R1136-R1238 VanDerWaalsContact CZ-O 3.25Å; R1136-R1238 PolarHBondContact NE-O 3.47Å; R1136-R1238 PolarHBondContact NH1-O 3.23Å; D1236-R1238 PolarHBondContact O-NH1 3.31Å |
| 1239 | V | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -143.4 | 157.7 | 171.2 | -68.4 | 0 | 0 | 0 | 0 | 110.9 | I1045 L1046 F1079 L1234 F1243 A1244 I1247 | I1045-V1239 HydrophobicContact CG2-CG1 4.26Å; L1046-V1239 HydrophobicContact CD2-CG2 4.25Å; F1079-V1239 HydrophobicContact CB-CG1 4.04Å; F1079-V1239 HydrophobicContact CD1-CG1 3.93Å; F1079-V1239 HydrophobicContact CD2-CG1 3.55Å; F1079-V1239 HydrophobicContact CE1-CG1 4.31Å; F1079-V1239 HydrophobicContact CE2-CG1 3.95Å; F1079-V1239 HydrophobicContact CG-CG1 3.54Å; F1079-V1239 HydrophobicContact CZ-CG1 4.33Å; L1234-V1239 PolarHBondContact N-O 2.78Å; V1239-F1243 HydrophobicContact CB-CB 4.03Å; V1239-F1243 HydrophobicContact CG1-CB 4.26Å; V1239-A1244 HydrophobicContact CG2-CB 3.87Å; V1239-I1247 HydrophobicContact CG1-CD1 3.97Å |
| 1240 | G | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -79.3 | 171.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1231 D1232 T1242 F1243 A1244 | E1231-G1240 WeakPolarHBondContact OE2-CA 3.34Å; D1232-G1240 WeakPolarHBondContact O-CA 3.46Å; G1240-T1242 VanDerWaalsContact C-N 3.35Å; G1240-T1242 PolarHBondContact O-N 3.06Å; G1240-F1243 PolarHBondContact O-N 2.85Å; G1240-A1244 WeakPolarHBondContact O-CB 3.39Å; G1240-A1244 PolarHBondContact O-N 3.28Å | ||
| 1241 | P | 96.7 | Very high | 96.7 | Very high | 25 Ų | 25 | 21 Ų | 21 | 16% | 0.162 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.1 | -35.9 | -172.7 | 23.4 | -35.3 | 0 | 0 | 0 | 114.7 | L1187 E1231 L1234 C1245 | L1187-P1241 HydrophobicContact CD1-CB 3.79Å; L1187-P1241 HydrophobicContact CD1-CG 4.09Å; L1187-P1241 HydrophobicContact CD2-CB 4.24Å; E1231-P1241 VanDerWaalsContact OE2-CD 3.25Å; E1231-P1241 WeakPolarHBondContact OE2-CD 3.33Å; E1231-P1241 VanDerWaalsContact OE2-N 3.15Å; L1234-P1241 HydrophobicContact CD2-CB 4.2Å; P1241-C1245 WeakPolarHBondContact O-CB 3.24Å; P1241-C1245 PolarHBondContact O-N 3.14Å |
| 1242 | T | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70 | -44 | -179.3 | -61 | 0 | 0 | 0 | 0 | 111.1 | Y1177 A1181 L1187 L1224 E1231 G1240 C1245 I1246 | Y1177-T1242 HydrophobicContact CD2-CG2 4.47Å; Y1177-T1242 HydrophobicContact CE2-CG2 4.17Å; A1181-T1242 HydrophobicContact CB-CG2 4.28Å; A1181-T1242 WeakPolarHBondContact CB-OG1 3.4Å; L1187-T1242 WeakPolarHBondContact CD1-OG1 3.25Å; L1224-T1242 HydrophobicContact CD1-CG2 4.44Å; E1231-T1242 VanDerWaalsContact OE1-CB 3.25Å; E1231-T1242 WeakPolarHBondContact OE1-CB 3.43Å; E1231-T1242 PolarHBondContact OE1-OG1 3.01Å; E1231-T1242 WeakPolarHBondContact OE2-CB 3.42Å; E1231-T1242 PolarHBondContact OE2-N 3.03Å; G1240-T1242 VanDerWaalsContact C-N 3.35Å; G1240-T1242 PolarHBondContact O-N 3.06Å; T1242-C1245 WeakPolarHBondContact O-CB 3.37Å; T1242-C1245 PolarHBondContact O-N 3.07Å; T1242-I1246 HydrophobicContact CG2-CD1 4.27Å; T1242-I1246 WeakPolarHBondContact O-CG1 3.39Å; T1242-I1246 PolarHBondContact O-N 3.11Å; T1242-I1246 VanDerWaalsContact O-N 3.15Å |
| 1243 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.5 | -34.9 | 176.3 | -77.5 | -1.9 | 0 | 0 | 0 | 112.3 | A1076 F1079 L1224 I1229 V1239 G1240 C1245 I1246 I1247 | A1076-F1243 HydrophobicContact CB-CD1 3.88Å; A1076-F1243 HydrophobicContact CB-CE1 4.21Å; A1076-F1243 HydrophobicContact CB-CG 4.2Å; F1079-F1243 HydrophobicContact CB-CD2 4.15Å; F1079-F1243 HydrophobicContact CB-CE2 4.45Å; L1224-F1243 HydrophobicContact CD1-CE1 4.1Å; L1224-F1243 HydrophobicContact CG-CE1 4.25Å; I1229-F1243 HydrophobicContact CD1-CD2 4.47Å; I1229-F1243 HydrophobicContact CD1-CE2 3.76Å; I1229-F1243 HydrophobicContact CG1-CE2 4Å; V1239-F1243 HydrophobicContact CB-CB 4.03Å; V1239-F1243 HydrophobicContact CG1-CB 4.26Å; G1240-F1243 PolarHBondContact O-N 2.85Å; F1243-C1245 VanDerWaalsContact C-N 3.32Å; F1243-C1245 PolarHBondContact O-N 2.93Å; F1243-I1246 PolarHBondContact O-N 2.8Å; F1243-I1247 HydrophobicContact CB-CD1 4.4Å; F1243-I1247 VanDerWaalsContact O-CB 3.25Å; F1243-I1247 WeakPolarHBondContact O-CB 3.42Å; F1243-I1247 WeakPolarHBondContact O-CD1 3.43Å; F1243-I1247 WeakPolarHBondContact O-CG1 3.49Å; F1243-I1247 PolarHBondContact O-N 3.46Å |
| 1244 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57 | -46.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L1046 L1234 V1239 G1240 A1248 | L1046-A1244 HydrophobicContact CD2-CB 4.21Å; L1234-A1244 HydrophobicContact CD1-CB 3.59Å; V1239-A1244 HydrophobicContact CG2-CB 3.87Å; G1240-A1244 WeakPolarHBondContact O-CB 3.39Å; G1240-A1244 PolarHBondContact O-N 3.28Å; A1244-A1248 WeakPolarHBondContact O-CB 3.49Å; A1244-A1248 PolarHBondContact O-N 2.6Å |
| 1245 | C | 98.1 | Very high | 97.2 | Very high | 25 Ų | 25 | 22.2 Ų | 22.2 | 17% | 0.169 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.9 | -50.7 | 175.8 | 160.2 | 0 | 0 | 0 | 0 | 112.9 | C1185 P1241 T1242 F1243 E1249 | C1185-C1245 VanDerWaalsContact CA-SG 3.54Å; C1185-C1245 HydrophobicContact CB-CB 3.76Å; C1185-C1245 WeakPolarHBondContact CB-SG 3.46Å; C1185-C1245 WeakPolarHBondContact SG-CB 3.37Å; C1185-C1245 CovalentContact SG-SG 2.05Å; C1185-C1245 PolarHBondContact SG-SG 2.98Å; P1241-C1245 WeakPolarHBondContact O-CB 3.24Å; P1241-C1245 PolarHBondContact O-N 3.14Å; T1242-C1245 WeakPolarHBondContact O-CB 3.37Å; T1242-C1245 PolarHBondContact O-N 3.07Å; F1243-C1245 VanDerWaalsContact C-N 3.32Å; F1243-C1245 PolarHBondContact O-N 2.93Å; C1245-E1249 WeakPolarHBondContact O-CB 3.19Å; C1245-E1249 PolarHBondContact O-N 3.01Å |
| 1246 | I | 98.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | -179.8 | -65.2 | 169 | 0 | 0 | 0 | 111.5 | L715 E1071 F1072 A1076 L1224 T1242 F1243 E1249 Q1250 | L715-I1246 HydrophobicContact CD1-CG1 4.09Å; L715-I1246 HydrophobicContact CD1-CG2 4.05Å; E1071-I1246 HydrophobicContact CB-CG2 4.41Å; F1072-I1246 HydrophobicContact CB-CG2 4.32Å; A1076-I1246 HydrophobicContact CB-CB 4.02Å; A1076-I1246 HydrophobicContact CB-CD1 4.49Å; A1076-I1246 HydrophobicContact CB-CG2 3.61Å; L1224-I1246 HydrophobicContact CD1-CD1 4.36Å; L1224-I1246 HydrophobicContact CD2-CD1 4.4Å; T1242-I1246 HydrophobicContact CG2-CD1 4.27Å; T1242-I1246 WeakPolarHBondContact O-CG1 3.39Å; T1242-I1246 PolarHBondContact O-N 3.11Å; T1242-I1246 VanDerWaalsContact O-N 3.15Å; F1243-I1246 PolarHBondContact O-N 2.8Å; I1246-E1249 PolarHBondContact O-N 3.38Å; I1246-Q1250 PolarHBondContact O-N 3.24Å; I1246-Q1250 VanDerWaalsContact O-N 3.12Å |
| 1247 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.1 | -48.2 | -179.7 | -68.7 | 169 | 0 | 0 | 0 | 110.3 | L1042 L1046 F1072 A1076 F1079 V1239 F1243 E1249 Q1250 F1251 | L1042-I1247 HydrophobicContact CD2-CG2 4.45Å; L1046-I1247 HydrophobicContact CD1-CG2 4.5Å; L1046-I1247 HydrophobicContact CD2-CB 4.09Å; L1046-I1247 HydrophobicContact CD2-CG2 3.81Å; L1046-I1247 HydrophobicContact CG-CG2 4.41Å; F1072-I1247 HydrophobicContact CD2-CG1 4.36Å; F1072-I1247 HydrophobicContact CE2-CB 4.48Å; F1072-I1247 HydrophobicContact CE2-CG1 4.17Å; F1072-I1247 HydrophobicContact CE2-CG2 4.45Å; A1076-I1247 HydrophobicContact CB-CG1 4.14Å; F1079-I1247 HydrophobicContact CD1-CD1 3.79Å; F1079-I1247 HydrophobicContact CE1-CD1 3.88Å; V1239-I1247 HydrophobicContact CG1-CD1 3.97Å; F1243-I1247 HydrophobicContact CB-CD1 4.4Å; F1243-I1247 VanDerWaalsContact O-CB 3.25Å; F1243-I1247 WeakPolarHBondContact O-CB 3.42Å; F1243-I1247 WeakPolarHBondContact O-CD1 3.43Å; F1243-I1247 WeakPolarHBondContact O-CG1 3.49Å; F1243-I1247 PolarHBondContact O-N 3.46Å; I1247-E1249 VanDerWaalsContact C-N 3.31Å; I1247-E1249 PolarHBondContact O-N 2.95Å; I1247-Q1250 PolarHBondContact O-N 3.04Å; I1247-F1251 HydrophobicContact CG2-CD2 3.58Å; I1247-F1251 HydrophobicContact CG2-CE2 3.77Å; I1247-F1251 WeakPolarHBondContact O-CD2 3.43Å; I1247-F1251 PolarHBondContact O-N 3.47Å |
| 1248 | A | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.008 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L1046 L1053 L1054 A1244 R1252 | L1046-A1248 HydrophobicContact CD1-CB 4.31Å; L1053-A1248 HydrophobicContact CB-CB 3.84Å; L1054-A1248 HydrophobicContact CB-CB 4.2Å; A1244-A1248 WeakPolarHBondContact O-CB 3.49Å; A1244-A1248 PolarHBondContact O-N 2.6Å; A1248-R1252 WeakPolarHBondContact O-CB 3.23Å; A1248-R1252 PolarHBondContact O-N 3.31Å |
| 1249 | E | 97.7 | Very high | 97.9 | Very high | 37 Ų | 37 | 14.4 Ų | 14.4 | 17% | 0.173 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 175.4 | -171.1 | -89.1 | -178.4 | 0 | 0 | 112 | R713 C1245 I1246 I1247 R1252 K1253 | R713-E1249 IonicContact CZ-OE1 3.36Å; R713-E1249 IonicContact CZ-OE2 3.88Å; R713-E1249 IonicContact NH1-OE1 2.61Å; R713-E1249 PolarHBondContact NH1-OE1 3.46Å; R713-E1249 IonicContact NH1-OE2 2.86Å; R713-E1249 VanDerWaalsContact NH2-CD 3.29Å; R713-E1249 IonicContact NH2-OE1 3.27Å; R713-E1249 PolarHBondContact NH2-OE1 3.38Å; R713-E1249 IonicContact NH2-OE2 3.18Å; R713-E1249 PolarHBondContact NH2-OE2 3.34Å; C1245-E1249 WeakPolarHBondContact O-CB 3.19Å; C1245-E1249 PolarHBondContact O-N 3.01Å; I1246-E1249 PolarHBondContact O-N 3.38Å; I1247-E1249 VanDerWaalsContact C-N 3.31Å; I1247-E1249 PolarHBondContact O-N 2.95Å; E1249-R1252 PolarHBondContact O-N 3.21Å; E1249-K1253 WeakPolarHBondContact O-CG 3.45Å; E1249-K1253 PolarHBondContact O-N 3.31Å; E1249-K1253 VanDerWaalsContact O-N 3.11Å; E1249-K1253 VanDerWaalsContact OE1-CD 3.22Å; E1249-K1253 WeakPolarHBondContact OE1-CD 3.01Å; E1249-K1253 WeakPolarHBondContact OE1-CE 3.46Å |
| 1250 | Q | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65.8 | -49.7 | -178.8 | -174.5 | 61.2 | 60.1 | 0 | 0 | 111.1 | P1066 I1068 S1069 F1072 I1246 I1247 R1252 K1253 L1254 | P1066-Q1250 PolarHBondContact O-NE2 3.3Å; I1068-Q1250 HydrophobicContact CD1-CG 4.12Å; S1069-Q1250 PolarHBondContact OG-OE1 2.89Å; F1072-Q1250 HydrophobicContact CB-CB 4.38Å; F1072-Q1250 HydrophobicContact CB-CG 4.22Å; F1072-Q1250 HydrophobicContact CD1-CG 4.02Å; F1072-Q1250 HydrophobicContact CD2-CB 3.49Å; F1072-Q1250 VanDerWaalsContact CD2-CB 3.49Å; F1072-Q1250 HydrophobicContact CD2-CG 3.64Å; F1072-Q1250 HydrophobicContact CE1-CG 4.26Å; F1072-Q1250 HydrophobicContact CE2-CB 3.87Å; F1072-Q1250 HydrophobicContact CE2-CG 3.91Å; F1072-Q1250 HydrophobicContact CG-CB 3.98Å; F1072-Q1250 HydrophobicContact CG-CG 3.7Å; F1072-Q1250 HydrophobicContact CZ-CG 4.21Å; I1246-Q1250 PolarHBondContact O-N 3.24Å; I1246-Q1250 VanDerWaalsContact O-N 3.12Å; I1247-Q1250 PolarHBondContact O-N 3.04Å; Q1250-R1252 VanDerWaalsContact C-N 3.31Å; Q1250-R1252 PolarHBondContact O-N 3.48Å; Q1250-K1253 PolarHBondContact O-N 3.46Å; Q1250-K1253 VanDerWaalsContact O-N 3.09Å; Q1250-L1254 HydrophobicContact CG-CD1 4.28Å; Q1250-L1254 HydrophobicContact CG-CG 4.42Å; Q1250-L1254 WeakPolarHBondContact O-CG 3.24Å; Q1250-L1254 PolarHBondContact O-N 3.16Å |
| 1251 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66 | -31.4 | 179.7 | -82.2 | -80.5 | 0 | 0 | 0 | 112.5 | L834 L838 I917 T1037 Y1038 W1041 L1042 L1054 F1072 M1077 I1247 L1254 R1255 | L834-F1251 HydrophobicContact CD2-CE1 4.06Å; L834-F1251 HydrophobicContact CD2-CZ 3.88Å; L838-F1251 HydrophobicContact CD1-CE1 4.38Å; L838-F1251 HydrophobicContact CD1-CZ 4.12Å; I917-F1251 HydrophobicContact CD1-CE1 4.15Å; T1037-F1251 HydrophobicContact CG2-CD1 4.49Å; T1037-F1251 HydrophobicContact CG2-CE1 3.85Å; Y1038-F1251 HydrophobicContact CE1-CB 4.37Å; Y1038-F1251 AromaticContact CE2-CD1 3.95Å; Y1038-F1251 HydrophobicContact CE2-CD1 3.95Å; Y1038-F1251 AromaticContact CZ-CD1 3.83Å; Y1038-F1251 PolarHBondContact OH-O 3.32Å; W1041-F1251 HydrophobicContact CZ3-CE2 4.33Å; W1041-F1251 HydrophobicContact CZ3-CZ 4.09Å; L1042-F1251 HydrophobicContact CD1-CB 4.05Å; L1042-F1251 HydrophobicContact CD1-CD1 3.78Å; L1042-F1251 HydrophobicContact CD1-CE1 4.36Å; L1042-F1251 HydrophobicContact CD1-CG 3.88Å; L1042-F1251 HydrophobicContact CD2-CD1 4.17Å; L1042-F1251 HydrophobicContact CD2-CD2 3.71Å; L1042-F1251 HydrophobicContact CD2-CE1 4.29Å; L1042-F1251 HydrophobicContact CD2-CE2 3.84Å; L1042-F1251 HydrophobicContact CD2-CG 3.88Å; L1042-F1251 HydrophobicContact CD2-CZ 4.13Å; L1042-F1251 HydrophobicContact CG-CD1 4.44Å; L1054-F1251 HydrophobicContact CD1-CB 3.85Å; F1072-F1251 HydrophobicContact CE2-CD2 4.08Å; F1072-F1251 AromaticContact CE2-CE2 3.73Å; F1072-F1251 HydrophobicContact CE2-CE2 3.73Å; F1072-F1251 HydrophobicContact CZ-CD2 4.38Å; F1072-F1251 AromaticContact CZ-CE2 3.7Å; F1072-F1251 HydrophobicContact CZ-CE2 3.7Å; F1072-F1251 HydrophobicContact CZ-CZ 4.2Å; M1077-F1251 HydrophobicContact SD-CE2 4.46Å; I1247-F1251 HydrophobicContact CG2-CD2 3.58Å; I1247-F1251 HydrophobicContact CG2-CE2 3.77Å; I1247-F1251 WeakPolarHBondContact O-CD2 3.43Å; I1247-F1251 PolarHBondContact O-N 3.47Å; F1251-L1254 HydrophobicContact CD1-CD1 4.22Å; F1251-L1254 HydrophobicContact CE1-CD1 4.43Å; F1251-R1255 WeakPolarHBondContact O-CB 3.46Å; F1251-R1255 PolarHBondContact O-N 3.1Å; F1251-R1255 VanDerWaalsContact O-N 3.09Å |
| 1252 | R | 98.1 | Very high | 98 | Very high | 106 Ų | 106 | 14 Ų | 14 | 40% | 0.4 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 170.7 | -175.8 | 179.8 | 64.2 | 111.3 | -1.5 | 111.3 | A1248 E1249 Q1250 R1255 S1256 | A1248-R1252 WeakPolarHBondContact O-CB 3.23Å; A1248-R1252 PolarHBondContact O-N 3.31Å; E1249-R1252 PolarHBondContact O-N 3.21Å; Q1250-R1252 VanDerWaalsContact C-N 3.31Å; Q1250-R1252 PolarHBondContact O-N 3.48Å; R1252-R1255 PolarHBondContact O-N 2.84Å; R1252-S1256 WeakPolarHBondContact O-CB 3.14Å; R1252-S1256 PolarHBondContact O-N 3.15Å; R1252-S1256 PolarHBondContact O-OG 3.04Å |
| 1253 | K | 98.1 | Very high | 98 | Very high | 37 Ų | 37 | 16.3 Ų | 16.3 | 16% | 0.161 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -69.5 | -38.7 | 178 | -74.5 | -179.7 | 170 | -73.3 | 0 | 113.4 | R713 I1064 E1249 Q1250 R1255 G1257 | R713-K1253 VanDerWaalsContact NH2-CD 3.33Å; I1064-K1253 HydrophobicContact CG2-CB 4.04Å; I1064-K1253 HydrophobicContact CG2-CG 3.9Å; E1249-K1253 WeakPolarHBondContact O-CG 3.45Å; E1249-K1253 PolarHBondContact O-N 3.31Å; E1249-K1253 VanDerWaalsContact O-N 3.11Å; E1249-K1253 VanDerWaalsContact OE1-CD 3.22Å; E1249-K1253 WeakPolarHBondContact OE1-CD 3.01Å; E1249-K1253 WeakPolarHBondContact OE1-CE 3.46Å; Q1250-K1253 PolarHBondContact O-N 3.46Å; Q1250-K1253 VanDerWaalsContact O-N 3.09Å; K1253-R1255 VanDerWaalsContact C-N 3.28Å; K1253-R1255 PolarHBondContact O-N 3.2Å; K1253-G1257 WeakPolarHBondContact O-CA 3.47Å; K1253-G1257 PolarHBondContact O-N 3.45Å |
| 1254 | L | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 16.6 Ų | 16.6 | 3% | 0.026 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 173.7 | -71.6 | 178.4 | 0 | 0 | 0 | 111.6 | L838 A915 P1066 I1068 Q1250 F1251 D1258 | L838-L1254 HydrophobicContact CD1-CD1 4.23Å; L838-L1254 HydrophobicContact CD2-CD1 3.7Å; A915-L1254 HydrophobicContact CB-CD2 4.39Å; A915-L1254 WeakPolarHBondContact O-CD2 3.45Å; P1066-L1254 HydrophobicContact CB-CD2 4.48Å; P1066-L1254 WeakPolarHBondContact O-CD2 3.46Å; I1068-L1254 HydrophobicContact CD1-CD1 4.1Å; I1068-L1254 HydrophobicContact CD1-CD2 3.89Å; I1068-L1254 HydrophobicContact CD1-CG 4.39Å; Q1250-L1254 HydrophobicContact CG-CD1 4.28Å; Q1250-L1254 HydrophobicContact CG-CG 4.42Å; Q1250-L1254 WeakPolarHBondContact O-CG 3.24Å; Q1250-L1254 PolarHBondContact O-N 3.16Å; F1251-L1254 HydrophobicContact CD1-CD1 4.22Å; F1251-L1254 HydrophobicContact CE1-CD1 4.43Å; L1254-D1258 WeakPolarHBondContact O-CB 3.36Å |
| 1255 | R | 98 | Very high | 97.6 | Very high | 18 Ų | 18 | 22.5 Ų | 22.5 | 7% | 0.068 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.9 | -52.6 | 177.3 | 180 | 174.6 | 70.1 | -173.8 | -4 | 112.6 | Y1038 L1054 G1055 E1056 Y1057 F1251 R1252 K1253 W1261 | Y1038-R1255 HydrophobicContact CE1-CB 3.82Å; Y1038-R1255 HydrophobicContact CE1-CG 4.32Å; L1054-R1255 PolarHBondContact O-NH2 3.41Å; G1055-R1255 PolarHBondContact O-NH1 3.2Å; G1055-R1255 VanDerWaalsContact O-NH1 3.13Å; G1055-R1255 PolarHBondContact O-NH2 3.43Å; E1056-R1255 VanDerWaalsContact C-NH2 3.31Å; E1056-R1255 PolarHBondContact O-NH2 3.07Å; Y1057-R1255 HydrophobicContact CD2-CG 3.55Å; Y1057-R1255 HydrophobicContact CE2-CG 3.99Å; Y1057-R1255 HydrophobicContact CG-CG 4.3Å; F1251-R1255 WeakPolarHBondContact O-CB 3.46Å; F1251-R1255 PolarHBondContact O-N 3.1Å; F1251-R1255 VanDerWaalsContact O-N 3.09Å; R1252-R1255 PolarHBondContact O-N 2.84Å; K1253-R1255 VanDerWaalsContact C-N 3.28Å; K1253-R1255 PolarHBondContact O-N 3.2Å; R1255-W1261 HydrophobicContact CB-CD2 4.41Å; R1255-W1261 HydrophobicContact CB-CE3 4.33Å; R1255-W1261 HydrophobicContact CB-CH2 4.4Å; R1255-W1261 HydrophobicContact CB-CZ2 4.43Å; R1255-W1261 HydrophobicContact CB-CZ3 4.33Å; R1255-W1261 HydrophobicContact CG-CD2 3.74Å; R1255-W1261 VanDerWaalsContact CG-CE2 3.47Å; R1255-W1261 HydrophobicContact CG-CE3 4.13Å; R1255-W1261 HydrophobicContact CG-CG 4.26Å; R1255-W1261 HydrophobicContact CG-CH2 4.08Å; R1255-W1261 HydrophobicContact CG-CZ2 3.64Å; R1255-W1261 HydrophobicContact CG-CZ3 4.29Å |
| 1256 | S | 97.9 | Very high | 97.1 | Very high | 13 Ų | 13 | 25 Ų | 25 | 9% | 0.091 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -82.6 | -22.4 | -171.6 | -65.4 | 0 | 0 | 0 | 0 | 113.9 | Y1060 D1061 R1252 | Y1060-S1256 WeakPolarHBondContact CA-O 3.48Å; Y1060-S1256 WeakPolarHBondContact CD2-O 3.28Å; D1061-S1256 PolarHBondContact N-O 2.74Å; R1252-S1256 WeakPolarHBondContact O-CB 3.14Å; R1252-S1256 PolarHBondContact O-N 3.15Å; R1252-S1256 PolarHBondContact O-OG 3.04Å |
| 1257 | G | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 3.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1253 | K1253-G1257 WeakPolarHBondContact O-CA 3.47Å; K1253-G1257 PolarHBondContact O-N 3.45Å |
| 1258 | D | 98.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | trans | -101.7 | 108.1 | 178.1 | 178.6 | 16 | 0 | 0 | 0 | 111.1 | R691 N698 F916 Q1034 L1254 F1260 W1261 | R691-D1258 IonicContact CZ-OD1 2.79Å; R691-D1258 IonicContact CZ-OD2 3.61Å; R691-D1258 IonicContact NH1-OD1 3.6Å; R691-D1258 PolarHBondContact NH1-OD1 3.05Å; R691-D1258 IonicContact NH1-OD2 3.7Å; R691-D1258 PolarHBondContact NH1-OD2 2.83Å; R691-D1258 IonicContact NH2-OD1 3.61Å; R691-D1258 PolarHBondContact NH2-OD1 3.11Å; R691-D1258 IonicContact NH2-OD2 2.69Å; R691-D1258 PolarHBondContact NH2-OD2 3.36Å; N698-D1258 PolarHBondContact ND2-OD1 3.15Å; F916-D1258 HydrophobicContact CD1-CB 3.9Å; F916-D1258 HydrophobicContact CE1-CB 4.2Å; Q1034-D1258 PolarHBondContact NE2-OD2 3.09Å; L1254-D1258 WeakPolarHBondContact O-CB 3.36Å; D1258-F1260 PolarHBondContact O-N 3.16Å; D1258-F1260 VanDerWaalsContact O-N 3.16Å; D1258-F1260 PolarHBondContact OD1-N 2.86Å; D1258-W1261 HydrophobicContact CB-CB 4.34Å; D1258-W1261 VanDerWaalsContact O-CB 3.27Å; D1258-W1261 WeakPolarHBondContact O-CB 3.46Å; D1258-W1261 PolarHBondContact O-N 3.47Å; D1258-W1261 VanDerWaalsContact O-N 3.08Å; D1258-W1261 PolarHBondContact OD2-N 3.44Å | ||
| 1259 | R | 97.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 29.3 Ų | 29.3 | 12% | 0.121 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -27.6 | 178.1 | -177.3 | 170.2 | 57.1 | 82 | -3.6 | 112.8 | H687 C697 N698 Y1060 | H687-R1259 PolarHBondContact O-NH1 3.12Å; H687-R1259 PolarHBondContact O-NH2 3.39Å; C697-R1259 PolarHBondContact O-NH2 3.06Å; N698-R1259 WeakPolarHBondContact O-CB 3.43Å; N698-R1259 PolarHBondContact O-NE 3.36Å; N698-R1259 WeakPolarHBondContact OD1-CB 3.43Å; N698-R1259 PolarHBondContact OD1-N 2.89Å; Y1060-R1259 HydrophobicContact CD1-CB 4.38Å; Y1060-R1259 HydrophobicContact CD1-CG 4.37Å; Y1060-R1259 HydrophobicContact CD2-CB 4.14Å; Y1060-R1259 HydrophobicContact CE1-CB 4.11Å; Y1060-R1259 HydrophobicContact CE1-CG 4.19Å; Y1060-R1259 HydrophobicContact CE2-CB 3.85Å; Y1060-R1259 HydrophobicContact CG-CB 4.39Å |
| 1260 | F | 97.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 14.9 | -178.4 | -68.6 | -78.2 | 0 | 0 | 0 | 112.9 | H687 Y690 R691 D1258 Y1262 I1267 | H687-F1260 WeakPolarHBondContact O-CZ 3.46Å; Y690-F1260 WeakPolarHBondContact O-CZ 3.42Å; R691-F1260 HydrophobicContact CG-CB 3.98Å; R691-F1260 HydrophobicContact CG-CD1 4.32Å; R691-F1260 HydrophobicContact CG-CD2 3.63Å; R691-F1260 HydrophobicContact CG-CE2 4.03Å; R691-F1260 HydrophobicContact CG-CG 3.75Å; R691-F1260 PolarHBondContact NH2-O 2.64Å; D1258-F1260 PolarHBondContact O-N 3.16Å; D1258-F1260 VanDerWaalsContact O-N 3.16Å; D1258-F1260 PolarHBondContact OD1-N 2.86Å; F1260-Y1262 PolarHBondContact O-N 2.71Å; F1260-I1267 HydrophobicContact CD1-CD1 3.92Å |
| 1261 | W | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.008 | 22% | 0.217 | C | C | . | . | trans | -50.1 | 133 | 172.2 | 178.1 | -108.6 | 0 | 0 | 0 | 110.4 | Q1034 Y1038 Y1057 R1255 D1258 E1263 A1264 | Q1034-W1261 HydrophobicContact CB-CH2 4.11Å; Q1034-W1261 HydrophobicContact CB-CZ3 3.86Å; Q1034-W1261 HydrophobicContact CG-CE3 4.22Å; Q1034-W1261 HydrophobicContact CG-CZ3 3.8Å; Y1038-W1261 AromaticContact CD1-CH2 3.98Å; Y1038-W1261 HydrophobicContact CD1-CH2 3.98Å; Y1038-W1261 HydrophobicContact CD1-CZ2 4.36Å; Y1038-W1261 AromaticContact CD2-CH2 3.38Å; Y1038-W1261 HydrophobicContact CD2-CH2 3.38Å; Y1038-W1261 HydrophobicContact CD2-CZ2 4.39Å; Y1038-W1261 HydrophobicContact CD2-CZ3 4.05Å; Y1038-W1261 HydrophobicContact CE1-CH2 4.03Å; Y1038-W1261 AromaticContact CE2-CH2 3.42Å; Y1038-W1261 HydrophobicContact CE2-CH2 3.42Å; Y1038-W1261 VanDerWaalsContact CE2-CH2 3.42Å; Y1038-W1261 AromaticContact CE2-CZ3 3.66Å; Y1038-W1261 HydrophobicContact CE2-CZ3 3.66Å; Y1038-W1261 AromaticContact CG-CH2 3.64Å; Y1038-W1261 HydrophobicContact CG-CH2 3.64Å; Y1038-W1261 HydrophobicContact CG-CZ2 4.24Å; Y1038-W1261 AromaticContact CZ-CH2 3.74Å; Y1038-W1261 AromaticContact CZ-CZ3 3.98Å; Y1057-W1261 AromaticContact CD1-NE1 3.94Å; Y1057-W1261 AromaticContact CE1-CD1 3.54Å; Y1057-W1261 AromaticContact CE1-NE1 3.89Å; Y1057-W1261 AromaticContact CE2-CD1 3.67Å; Y1057-W1261 HydrophobicContact CE2-CG 4.33Å; Y1057-W1261 AromaticContact CZ-CD1 3.3Å; Y1057-W1261 AromaticContact CZ-NE1 3.95Å; R1255-W1261 HydrophobicContact CB-CD2 4.41Å; R1255-W1261 HydrophobicContact CB-CE3 4.33Å; R1255-W1261 HydrophobicContact CB-CH2 4.4Å; R1255-W1261 HydrophobicContact CB-CZ2 4.43Å; R1255-W1261 HydrophobicContact CB-CZ3 4.33Å; R1255-W1261 HydrophobicContact CG-CD2 3.74Å; R1255-W1261 VanDerWaalsContact CG-CE2 3.47Å; R1255-W1261 HydrophobicContact CG-CE3 4.13Å; R1255-W1261 HydrophobicContact CG-CG 4.26Å; R1255-W1261 HydrophobicContact CG-CH2 4.08Å; R1255-W1261 HydrophobicContact CG-CZ2 3.64Å; R1255-W1261 HydrophobicContact CG-CZ3 4.29Å; D1258-W1261 HydrophobicContact CB-CB 4.34Å; D1258-W1261 VanDerWaalsContact O-CB 3.27Å; D1258-W1261 WeakPolarHBondContact O-CB 3.46Å; D1258-W1261 PolarHBondContact O-N 3.47Å; D1258-W1261 VanDerWaalsContact O-N 3.08Å; D1258-W1261 PolarHBondContact OD2-N 3.44Å; W1261-E1263 PolarHBondContact O-N 2.8Å; W1261-A1264 HydrophobicContact CB-CB 4.27Å; W1261-A1264 WeakPolarHBondContact O-CB 3.3Å; W1261-A1264 PolarHBondContact O-N 2.73Å | ||
| 1262 | Y | 96.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -24 | -168.2 | 80.8 | -75.8 | 0 | 0 | 0 | 114.1 | A1031 Q1034 A1035 Q1039 F1260 L1273 I1276 K1277 | A1031-Y1262 HydrophobicContact CB-CG 4.49Å; Q1034-Y1262 HydrophobicContact CB-CD1 3.6Å; Q1034-Y1262 HydrophobicContact CB-CE1 4.09Å; Q1034-Y1262 HydrophobicContact CB-CG 4.38Å; A1035-Y1262 HydrophobicContact CB-CE1 4.46Å; A1035-Y1262 HydrophobicContact CB-CE2 4.03Å; Q1039-Y1262 PolarHBondContact NE2-OH 2.81Å; F1260-Y1262 PolarHBondContact O-N 2.71Å; Y1262-L1273 HydrophobicContact CD2-CD1 3.56Å; Y1262-L1273 HydrophobicContact CE2-CD1 3.8Å; Y1262-L1273 WeakPolarHBondContact O-CD1 3.24Å; Y1262-I1276 HydrophobicContact CD2-CG2 3.83Å; Y1262-I1276 HydrophobicContact CE2-CG2 4.17Å; Y1262-K1277 HydrophobicContact CE2-CG 3.86Å |
| 1263 | E | 96.7 | Very high | 96 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | -4 | 175.2 | -49.2 | -176.4 | -128.8 | 0 | 0 | 113.5 | Y1057 W1261 L1273 K1277 | Y1057-E1263 HydrophobicContact CD1-CB 3.98Å; Y1057-E1263 HydrophobicContact CE1-CB 3.86Å; W1261-E1263 PolarHBondContact O-N 2.8Å; E1263-L1273 HydrophobicContact CG-CD1 4.34Å; E1263-K1277 VanDerWaalsContact OE2-CE 3.27Å; E1263-K1277 WeakPolarHBondContact OE2-CE 3.36Å; E1263-K1277 IonicContact OE2-NZ 3.1Å; E1263-K1277 PolarHBondContact OE2-NZ 2.84Å |
| 1264 | A | 95.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -66 | 134.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y1057 W1261 G1266 I1267 | Y1057-A1264 WeakPolarHBondContact OH-CB 3.32Å; W1261-A1264 HydrophobicContact CB-CB 4.27Å; W1261-A1264 WeakPolarHBondContact O-CB 3.3Å; W1261-A1264 PolarHBondContact O-N 2.73Å; A1264-G1266 PolarHBondContact O-N 3.49Å; A1264-I1267 HydrophobicContact CB-CG1 3.86Å; A1264-I1267 PolarHBondContact O-N 3.05Å |
| 1265 | P | 92.1 | Very high | 95.8 | Very high | 124 Ų | 124 | 35.2 Ų | 35.2 | 81% | 0.805 | 23% | 0.233 | S | C | * | . | B | Isolated β-bridge | trans | -55.3 | 129.8 | 179.9 | -26.8 | 34.6 | 0 | 0 | 0 | 112.5 | ||
| 1266 | G | 88.3 | Confident | 95.7 | Very high | 77 Ų | 77 | 34.3 Ų | 34.3 | 79% | 0.794 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -9.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1264 | A1264-G1266 PolarHBondContact O-N 3.49Š|
| 1267 | I | 94.2 | Very high | 95.5 | Very high | 20 Ų | 20 | 37.2 Ų | 37.2 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -47.9 | 175.4 | -59.1 | -52.9 | 0 | 0 | 0 | 111 | K1027 F1260 A1264 | K1027-I1267 WeakPolarHBondContact CE-O 3.41Å; K1027-I1267 PolarHBondContact NZ-O 3.43Å; F1260-I1267 HydrophobicContact CD1-CD1 3.92Å; A1264-I1267 HydrophobicContact CB-CG1 3.86Å; A1264-I1267 PolarHBondContact O-N 3.05Å |
| 1268 | F | 95.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -125.3 | 152.8 | 171.5 | -69.3 | -77.3 | 0 | 0 | 0 | 110 | K1027 A1031 Q1272 L1273 I1276 W1325 | K1027-F1268 HydrophobicContact CD-CE1 4.3Å; K1027-F1268 HydrophobicContact CD-CZ 4.25Å; K1027-F1268 HydrophobicContact CG-CE1 4.14Å; K1027-F1268 HydrophobicContact CG-CE2 4.44Å; K1027-F1268 HydrophobicContact CG-CZ 3.69Å; A1031-F1268 HydrophobicContact CB-CE2 3.5Å; A1031-F1268 VanDerWaalsContact CB-CE2 3.5Å; A1031-F1268 HydrophobicContact CB-CZ 3.58Å; F1268-Q1272 HydrophobicContact CB-CB 3.89Å; F1268-Q1272 HydrophobicContact CD1-CB 4Å; F1268-Q1272 HydrophobicContact CG-CB 4.36Å; F1268-L1273 HydrophobicContact CB-CB 4.41Å; F1268-I1276 HydrophobicContact CD1-CD1 3.73Å; F1268-I1276 HydrophobicContact CD2-CD1 3.8Å; F1268-I1276 HydrophobicContact CE1-CD1 3.63Å; F1268-I1276 HydrophobicContact CE2-CD1 3.72Å; F1268-I1276 HydrophobicContact CG-CD1 3.8Å; F1268-I1276 HydrophobicContact CZ-CD1 3.6Å; F1268-W1325 AromaticContact CD1-CZ2 3.86Å; F1268-W1325 HydrophobicContact CD1-CZ2 3.86Å; F1268-W1325 AromaticContact CE1-CZ2 3.82Å; F1268-W1325 HydrophobicContact CE1-CZ2 3.82Å |
| 1269 | S | 94.5 | Very high | 94.8 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 38% | 0.378 | 27% | 0.266 | S | S | . | . | trans | -66.4 | 158.4 | 167.7 | 77.7 | 0 | 0 | 0 | 0 | 110.5 | A1271 Q1272 L1273 | S1269-A1271 PolarHBondContact O-N 3.12Å; S1269-A1271 VanDerWaalsContact O-N 3.15Å; S1269-Q1272 PolarHBondContact O-N 2.92Å; S1269-Q1272 VanDerWaalsContact O-N 3.1Å; S1269-Q1272 VanDerWaalsContact OG-CG 3.29Å; S1269-Q1272 WeakPolarHBondContact OG-CG 3.28Å; S1269-Q1272 PolarHBondContact OG-N 3.34Å; S1269-L1273 WeakPolarHBondContact O-CB 3.14Å; S1269-L1273 PolarHBondContact O-N 3.05Å | ||
| 1270 | S | 93.8 | Very high | 94.1 | Very high | 110 Ų | 110 | 42.3 Ų | 42.3 | 77% | 0.769 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -56.8 | -33.4 | 178.5 | -50.2 | 0 | 0 | 0 | 0 | 112.8 | A1274 | S1270-A1274 WeakPolarHBondContact O-CB 3.19Å; S1270-A1274 PolarHBondContact O-N 3Å; S1270-A1274 VanDerWaalsContact O-N 3.09Å |
| 1271 | A | 94.6 | Very high | 93.8 | Very high | 49 Ų | 49 | 41.8 Ų | 41.8 | 41% | 0.405 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.5 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1269 A1274 E1275 V1324 | S1269-A1271 PolarHBondContact O-N 3.12Å; S1269-A1271 VanDerWaalsContact O-N 3.15Å; A1271-A1274 PolarHBondContact O-N 3Å; A1271-E1275 PolarHBondContact O-N 2.86Å; A1271-V1324 HydrophobicContact CB-CB 4.18Å; A1271-V1324 HydrophobicContact CB-CG1 4.11Å |
| 1272 | Q | 96.9 | Very high | 93.7 | Very high | 32 Ų | 32 | 42.5 Ų | 42.5 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 174.3 | -73.5 | 170.8 | -20.8 | 0 | 0 | 111.4 | F1268 S1269 A1274 E1275 I1276 V1324 W1325 | F1268-Q1272 HydrophobicContact CB-CB 3.89Å; F1268-Q1272 HydrophobicContact CD1-CB 4Å; F1268-Q1272 HydrophobicContact CG-CB 4.36Å; S1269-Q1272 PolarHBondContact O-N 2.92Å; S1269-Q1272 VanDerWaalsContact O-N 3.1Å; S1269-Q1272 VanDerWaalsContact OG-CG 3.29Å; S1269-Q1272 WeakPolarHBondContact OG-CG 3.28Å; S1269-Q1272 PolarHBondContact OG-N 3.34Å; Q1272-A1274 PolarHBondContact O-N 3.36Å; Q1272-E1275 PolarHBondContact O-N 3.23Å; Q1272-I1276 WeakPolarHBondContact O-CG1 3.07Å; Q1272-I1276 PolarHBondContact O-N 3.05Å; Q1272-V1324 HydrophobicContact CB-CG2 4.41Å; Q1272-V1324 HydrophobicContact CG-CB 4.43Å; Q1272-V1324 HydrophobicContact CG-CG2 3.83Å; Q1272-V1324 PolarHBondContact NE2-O 3.09Å; Q1272-W1325 HydrophobicContact CB-CH2 3.61Å; Q1272-W1325 HydrophobicContact CB-CZ2 3.63Å; Q1272-W1325 HydrophobicContact CB-CZ3 4.14Å; Q1272-W1325 HydrophobicContact CG-CD2 3.77Å; Q1272-W1325 HydrophobicContact CG-CE3 3.9Å; Q1272-W1325 HydrophobicContact CG-CG 4.45Å; Q1272-W1325 HydrophobicContact CG-CH2 3.78Å; Q1272-W1325 HydrophobicContact CG-CZ2 3.65Å; Q1272-W1325 HydrophobicContact CG-CZ3 3.91Å |
| 1273 | L | 96.2 | Very high | 93.8 | Very high | 35 Ų | 35 | 42.6 Ų | 42.6 | 18% | 0.183 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -41.5 | 178.8 | -178.1 | 58.5 | 0 | 0 | 0 | 112.1 | Y1262 E1263 F1268 S1269 E1275 I1276 K1277 | Y1262-L1273 HydrophobicContact CD2-CD1 3.56Å; Y1262-L1273 HydrophobicContact CE2-CD1 3.8Å; Y1262-L1273 WeakPolarHBondContact O-CD1 3.24Å; E1263-L1273 HydrophobicContact CG-CD1 4.34Å; F1268-L1273 HydrophobicContact CB-CB 4.41Å; S1269-L1273 WeakPolarHBondContact O-CB 3.14Å; S1269-L1273 PolarHBondContact O-N 3.05Å; L1273-E1275 VanDerWaalsContact C-N 3.33Å; L1273-E1275 PolarHBondContact O-N 3.26Å; L1273-I1276 PolarHBondContact O-N 3.16Å; L1273-K1277 HydrophobicContact CD1-CD 4.4Å; L1273-K1277 HydrophobicContact CD1-CG 4.18Å; L1273-K1277 HydrophobicContact CG-CD 4.39Å; L1273-K1277 HydrophobicContact CG-CG 4.5Å; L1273-K1277 WeakPolarHBondContact O-CB 3.05Å; L1273-K1277 WeakPolarHBondContact O-CG 3.39Å; L1273-K1277 PolarHBondContact O-N 2.76Å |
| 1274 | A | 96 | Very high | 93.8 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | S1270 A1271 Q1272 R1278 | S1270-A1274 WeakPolarHBondContact O-CB 3.19Å; S1270-A1274 PolarHBondContact O-N 3Å; S1270-A1274 VanDerWaalsContact O-N 3.09Å; A1271-A1274 PolarHBondContact O-N 3Å; Q1272-A1274 PolarHBondContact O-N 3.36Å; A1274-R1278 VanDerWaalsContact O-CB 3.28Å; A1274-R1278 WeakPolarHBondContact O-CB 2.77Å; A1274-R1278 PolarHBondContact O-N 3.04Å; A1274-R1278 VanDerWaalsContact O-N 3.09Å |
| 1275 | E | 96.3 | Very high | 93.9 | Very high | 28 Ų | 28 | 40.7 Ų | 40.7 | 13% | 0.131 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 176.7 | -73.1 | -59 | 136.2 | 0 | 0 | 112.6 | A1271 Q1272 L1273 R1278 A1279 G1280 L1320 N1321 V1324 W1325 | A1271-E1275 PolarHBondContact O-N 2.86Å; Q1272-E1275 PolarHBondContact O-N 3.23Å; L1273-E1275 VanDerWaalsContact C-N 3.33Å; L1273-E1275 PolarHBondContact O-N 3.26Å; E1275-R1278 PolarHBondContact O-N 2.79Å; E1275-R1278 IonicContact OE1-CZ 3.19Å; E1275-R1278 IonicContact OE1-NE 3.84Å; E1275-R1278 IonicContact OE1-NH2 3.76Å; E1275-R1278 PolarHBondContact OE1-NH2 3.29Å; E1275-R1278 IonicContact OE2-NH2 3.99Å; E1275-R1278 PolarHBondContact OE2-NH2 3.02Å; E1275-A1279 PolarHBondContact O-N 3.16Å; E1275-G1280 PolarHBondContact O-N 3.31Å; E1275-L1320 HydrophobicContact CB-CD1 3.88Å; E1275-L1320 WeakPolarHBondContact O-CD1 3.44Å; E1275-N1321 HydrophobicContact CG-CB 4.08Å; E1275-N1321 WeakPolarHBondContact OE2-CB 3.41Å; E1275-N1321 PolarHBondContact OE2-N 3.07Å; E1275-V1324 HydrophobicContact CG-CG2 4.24Å; E1275-W1325 HydrophobicContact CB-CZ3 4.43Å |
| 1276 | I | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -61.9 | -48.9 | 173.9 | -70.1 | 161.4 | 0 | 0 | 0 | 110.7 | A1031 A1035 Y1262 F1268 Q1272 L1273 R1278 G1280 S1281 W1325 | A1031-I1276 HydrophobicContact CB-CD1 3.96Å; A1031-I1276 HydrophobicContact CB-CG2 4.19Å; A1035-I1276 HydrophobicContact CB-CG2 4.11Å; Y1262-I1276 HydrophobicContact CD2-CG2 3.83Å; Y1262-I1276 HydrophobicContact CE2-CG2 4.17Å; F1268-I1276 HydrophobicContact CD1-CD1 3.73Å; F1268-I1276 HydrophobicContact CD2-CD1 3.8Å; F1268-I1276 HydrophobicContact CE1-CD1 3.63Å; F1268-I1276 HydrophobicContact CE2-CD1 3.72Å; F1268-I1276 HydrophobicContact CG-CD1 3.8Å; F1268-I1276 HydrophobicContact CZ-CD1 3.6Å; Q1272-I1276 WeakPolarHBondContact O-CG1 3.07Å; Q1272-I1276 PolarHBondContact O-N 3.05Å; L1273-I1276 PolarHBondContact O-N 3.16Å; I1276-R1278 VanDerWaalsContact C-N 3.28Å; I1276-R1278 PolarHBondContact O-N 2.79Å; I1276-G1280 CarbonylContact O-C 3.47Å; I1276-G1280 VanDerWaalsContact O-C 3.28Å; I1276-G1280 VanDerWaalsContact O-CA 3.3Å; I1276-G1280 WeakPolarHBondContact O-CA 3.22Å; I1276-G1280 PolarHBondContact O-N 3.4Å; I1276-S1281 PolarHBondContact O-N 2.71Å; I1276-W1325 HydrophobicContact CD1-CH2 4.08Å; I1276-W1325 HydrophobicContact CD1-CZ2 3.98Å; I1276-W1325 HydrophobicContact CG1-CH2 4Å; I1276-W1325 HydrophobicContact CG1-CZ2 4.35Å |
| 1277 | K | 94.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 31.5 Ų | 31.5 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -64.8 | -30.7 | -178.8 | -73.2 | -170.3 | 171.6 | -170.9 | 0 | 113.2 | Q1039 Y1262 E1263 L1273 S1281 | Q1039-K1277 PolarHBondContact OE1-O 2.98Å; Y1262-K1277 HydrophobicContact CE2-CG 3.86Å; E1263-K1277 VanDerWaalsContact OE2-CE 3.27Å; E1263-K1277 WeakPolarHBondContact OE2-CE 3.36Å; E1263-K1277 IonicContact OE2-NZ 3.1Å; E1263-K1277 PolarHBondContact OE2-NZ 2.84Å; L1273-K1277 HydrophobicContact CD1-CD 4.4Å; L1273-K1277 HydrophobicContact CD1-CG 4.18Å; L1273-K1277 HydrophobicContact CG-CD 4.39Å; L1273-K1277 HydrophobicContact CG-CG 4.5Å; L1273-K1277 WeakPolarHBondContact O-CB 3.05Å; L1273-K1277 WeakPolarHBondContact O-CG 3.39Å; L1273-K1277 PolarHBondContact O-N 2.76Å; K1277-S1281 PolarHBondContact O-OG 2.74Å |
| 1278 | R | 92.3 | Very high | 94.8 | Very high | 133 Ų | 133 | 31.4 Ų | 31.4 | 50% | 0.502 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -91.6 | -57.9 | -175.9 | -173.7 | -176.9 | 70.2 | 98.5 | 4.5 | 113.3 | A1274 E1275 I1276 | A1274-R1278 VanDerWaalsContact O-CB 3.28Å; A1274-R1278 WeakPolarHBondContact O-CB 2.77Å; A1274-R1278 PolarHBondContact O-N 3.04Å; A1274-R1278 VanDerWaalsContact O-N 3.09Å; E1275-R1278 PolarHBondContact O-N 2.79Å; E1275-R1278 IonicContact OE1-CZ 3.19Å; E1275-R1278 IonicContact OE1-NE 3.84Å; E1275-R1278 IonicContact OE1-NH2 3.76Å; E1275-R1278 PolarHBondContact OE1-NH2 3.29Å; E1275-R1278 IonicContact OE2-NH2 3.99Å; E1275-R1278 PolarHBondContact OE2-NH2 3.02Å; I1276-R1278 VanDerWaalsContact C-N 3.28Å; I1276-R1278 PolarHBondContact O-N 2.79Å |
| 1279 | A | 88.2 | Confident | 94.8 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -106 | -34.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1275 S1281 S1282 P1318 R1319 | E1275-A1279 PolarHBondContact O-N 3.16Å; A1279-S1281 PolarHBondContact O-N 3.48Å; A1279-S1282 PolarHBondContact O-N 3.27Å; A1279-P1318 HydrophobicContact CB-CB 4.13Å; A1279-R1319 WeakPolarHBondContact CB-O 3.48Å |
| 1280 | G | 83 | Confident | 94.9 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -69 | -15.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1032 E1275 I1276 | S1032-G1280 WeakPolarHBondContact CB-O 3.49Å; S1032-G1280 PolarHBondContact OG-O 3.19Å; E1275-G1280 PolarHBondContact O-N 3.31Å; I1276-G1280 CarbonylContact O-C 3.47Å; I1276-G1280 VanDerWaalsContact O-C 3.28Å; I1276-G1280 VanDerWaalsContact O-CA 3.3Å; I1276-G1280 WeakPolarHBondContact O-CA 3.22Å; I1276-G1280 PolarHBondContact O-N 3.4Å |
| 1281 | S | 91.2 | Very high | 95 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 2.6 | -180 | 65.4 | 0 | 0 | 0 | 0 | 113.8 | I1036 Y1040 I1276 K1277 A1279 | I1036-S1281 VanDerWaalsContact CG1-O 3.27Å; I1036-S1281 WeakPolarHBondContact CG1-O 3.09Å; Y1040-S1281 WeakPolarHBondContact CE2-O 3.42Å; I1276-S1281 PolarHBondContact O-N 2.71Å; K1277-S1281 PolarHBondContact O-OG 2.74Å; A1279-S1281 PolarHBondContact O-N 3.48Å |
| 1282 | S | 96.7 | Very high | 94.9 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 12% | 0.119 | 12% | 0.121 | C | C | . | . | trans | -94.6 | 104.2 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | A1279 S1284 R1285 I1286 | A1279-S1282 PolarHBondContact O-N 3.27Å; S1282-S1284 PolarHBondContact O-N 2.87Å; S1282-R1285 WeakPolarHBondContact O-CB 3.3Å; S1282-R1285 PolarHBondContact O-N 3.32Å; S1282-R1285 VanDerWaalsContact O-N 3.11Å; S1282-R1285 PolarHBondContact OG-N 3.02Å; S1282-R1285 VanDerWaalsContact OG-N 3.14Å; S1282-I1286 PolarHBondContact O-N 3.02Å | ||
| 1283 | L | 97.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.4 | -35 | 171.9 | -177.7 | 57.9 | 0 | 0 | 0 | 111.7 | M826 W830 I1036 R1285 I1286 I1287 A1301 F1302 | M826-L1283 HydrophobicContact CG-CD2 3.61Å; M826-L1283 HydrophobicContact SD-CD2 3.85Å; W830-L1283 HydrophobicContact CD2-CD2 4.37Å; W830-L1283 HydrophobicContact CE3-CD1 4.13Å; W830-L1283 HydrophobicContact CE3-CD2 3.7Å; W830-L1283 HydrophobicContact CZ3-CD1 3.79Å; W830-L1283 HydrophobicContact CZ3-CD2 4.18Å; I1036-L1283 HydrophobicContact CD1-CB 4.29Å; I1036-L1283 HydrophobicContact CG2-CB 4.49Å; L1283-R1285 VanDerWaalsContact C-N 3.29Å; L1283-R1285 PolarHBondContact O-N 2.8Å; L1283-I1286 PolarHBondContact O-N 3.19Å; L1283-I1286 VanDerWaalsContact O-N 3.16Å; L1283-I1287 HydrophobicContact CG-CD1 4.23Å; L1283-I1287 WeakPolarHBondContact O-CG1 3.36Å; L1283-I1287 PolarHBondContact O-N 3.31Å; L1283-A1301 HydrophobicContact CB-CB 4.02Å; L1283-A1301 HydrophobicContact CD2-CB 4.08Å; L1283-A1301 HydrophobicContact CG-CB 4.07Å; L1283-F1302 HydrophobicContact CD2-CE1 3.7Å; L1283-F1302 HydrophobicContact CD2-CZ 3.73Å |
| 1284 | S | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -58.2 | -40 | 173.2 | -61.7 | 0 | 0 | 0 | 0 | 112 | S1282 I1287 C1288 P1298 E1299 A1301 | S1282-S1284 PolarHBondContact O-N 2.87Å; S1284-I1287 PolarHBondContact O-N 3.29Å; S1284-C1288 PolarHBondContact O-N 2.91Å; S1284-C1288 PolarHBondContact O-SG 3.38Å; S1284-P1298 WeakPolarHBondContact CB-O 3.45Å; S1284-P1298 PolarHBondContact OG-O 2.79Å; S1284-E1299 PolarHBondContact OG-O 3.06Å; S1284-A1301 WeakPolarHBondContact OG-CB 3.37Å; S1284-A1301 PolarHBondContact OG-N 3.46Å; S1284-A1301 VanDerWaalsContact OG-N 3.08Å |
| 1285 | R | 97.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 25.9 Ų | 25.9 | 6% | 0.057 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.7 | -175.9 | 66.2 | -155.2 | 165.5 | 19.8 | 112.1 | S1282 L1283 I1287 C1288 E1289 C1314 I1317 P1318 R1319 | S1282-R1285 WeakPolarHBondContact O-CB 3.3Å; S1282-R1285 PolarHBondContact O-N 3.32Å; S1282-R1285 VanDerWaalsContact O-N 3.11Å; S1282-R1285 PolarHBondContact OG-N 3.02Å; S1282-R1285 VanDerWaalsContact OG-N 3.14Å; L1283-R1285 VanDerWaalsContact C-N 3.29Å; L1283-R1285 PolarHBondContact O-N 2.8Å; R1285-I1287 VanDerWaalsContact C-N 3.27Å; R1285-I1287 PolarHBondContact O-N 2.88Å; R1285-C1288 WeakPolarHBondContact O-CB 3.31Å; R1285-C1288 PolarHBondContact O-N 3.45Å; R1285-E1289 HydrophobicContact CG-CG 4.45Å; R1285-E1289 IonicContact CZ-OE1 3.41Å; R1285-E1289 VanDerWaalsContact CZ-OE1 3.26Å; R1285-E1289 IonicContact NE-OE1 3.48Å; R1285-E1289 PolarHBondContact NE-OE1 2.92Å; R1285-E1289 VanDerWaalsContact NE-OE1 3.1Å; R1285-E1289 IonicContact NH2-OE1 2.88Å; R1285-E1289 PolarHBondContact NH2-OE1 3.44Å; R1285-E1289 IonicContact NH2-OE2 4Å; R1285-E1289 WeakPolarHBondContact O-CG 3.47Å; R1285-E1289 PolarHBondContact O-N 2.95Å; R1285-C1314 PolarHBondContact NH1-O 3.01Å; R1285-I1317 HydrophobicContact CB-CG2 3.7Å; R1285-I1317 WeakPolarHBondContact CD-O 3.49Å; R1285-I1317 HydrophobicContact CG-CG2 4.4Å; R1285-I1317 PolarHBondContact NH1-O 2.92Å; R1285-P1318 WeakPolarHBondContact CD-O 3.13Å; R1285-P1318 WeakPolarHBondContact CG-O 3.49Å; R1285-R1319 VanDerWaalsContact CZ-CG 3.46Å; R1285-R1319 VanDerWaalsContact NH2-CZ 3.3Å |
| 1286 | I | 97.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 179.9 | -62.8 | 175.8 | 0 | 0 | 0 | 110.1 | W998 E1001 I1036 S1282 L1283 E1289 N1290 | W998-I1286 HydrophobicContact CH2-CD1 3.23Å; W998-I1286 HydrophobicContact CZ2-CD1 3.59Å; W998-I1286 HydrophobicContact CZ3-CD1 3.86Å; E1001-I1286 HydrophobicContact CB-CG2 4.38Å; E1001-I1286 HydrophobicContact CG-CG2 4.46Å; I1036-I1286 HydrophobicContact CD1-CD1 3.85Å; S1282-I1286 PolarHBondContact O-N 3.02Å; L1283-I1286 PolarHBondContact O-N 3.19Å; L1283-I1286 VanDerWaalsContact O-N 3.16Å; I1286-E1289 PolarHBondContact O-N 3.25Å; I1286-N1290 WeakPolarHBondContact O-CB 3.42Å; I1286-N1290 PolarHBondContact O-N 3.27Å; I1286-N1290 PolarHBondContact O-ND2 3.46Å |
| 1287 | I | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.4 | -45.8 | 174.4 | -65.8 | 166 | 0 | 0 | 0 | 111 | M826 L997 L1125 L1129 L1283 S1284 R1285 E1289 N1290 S1291 I1294 V1297 | M826-I1287 HydrophobicContact CE-CD1 3.84Å; L997-I1287 HydrophobicContact CD1-CG1 4.04Å; L1125-I1287 HydrophobicContact CD1-CG2 4.49Å; L1129-I1287 HydrophobicContact CD1-CD1 4.22Å; L1129-I1287 HydrophobicContact CD1-CG2 4.32Å; L1129-I1287 HydrophobicContact CD2-CD1 3.88Å; L1129-I1287 HydrophobicContact CG-CD1 4.37Å; L1283-I1287 HydrophobicContact CG-CD1 4.23Å; L1283-I1287 WeakPolarHBondContact O-CG1 3.36Å; L1283-I1287 PolarHBondContact O-N 3.31Å; S1284-I1287 PolarHBondContact O-N 3.29Å; R1285-I1287 VanDerWaalsContact C-N 3.27Å; R1285-I1287 PolarHBondContact O-N 2.88Å; I1287-E1289 VanDerWaalsContact C-N 3.31Å; I1287-E1289 PolarHBondContact O-N 3.42Å; I1287-N1290 PolarHBondContact O-N 3.31Å; I1287-S1291 WeakPolarHBondContact O-CB 3.47Å; I1287-S1291 PolarHBondContact O-N 2.84Å; I1287-S1291 PolarHBondContact O-OG 3.24Å; I1287-I1294 HydrophobicContact CG2-CD1 4Å; I1287-I1294 HydrophobicContact CG2-CG2 4.44Å; I1287-V1297 HydrophobicContact CG2-CG1 4.35Å |
| 1288 | C | 97.4 | Very high | 94.9 | Very high | 19 Ų | 19 | 23.6 Ų | 23.6 | 13% | 0.128 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.8 | -38.6 | 177.1 | -71.7 | 0 | 0 | 0 | 0 | 113.4 | S1284 R1285 V1297 C1314 | S1284-C1288 PolarHBondContact O-N 2.91Å; S1284-C1288 PolarHBondContact O-SG 3.38Å; R1285-C1288 WeakPolarHBondContact O-CB 3.31Å; R1285-C1288 PolarHBondContact O-N 3.45Å; C1288-V1297 VanDerWaalsContact SG-CG2 3.58Å; C1288-C1314 HydrophobicContact CB-CB 3.62Å; C1288-C1314 WeakPolarHBondContact CB-SG 3.5Å; C1288-C1314 VanDerWaalsContact SG-CA 3.56Å; C1288-C1314 WeakPolarHBondContact SG-CB 3.49Å; C1288-C1314 CovalentContact SG-SG 2.03Å; C1288-C1314 PolarHBondContact SG-SG 3.1Å |
| 1289 | E | 95.3 | Very high | 95 | Very high | 35 Ų | 35 | 24.6 Ų | 24.6 | 16% | 0.164 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -76.2 | -35.8 | -179.6 | -67.4 | -78.8 | -171.6 | 0 | 0 | 112.2 | K953 R1285 I1286 I1287 R1319 | K953-E1289 PolarHBondContact NZ-O 3Å; R1285-E1289 HydrophobicContact CG-CG 4.45Å; R1285-E1289 IonicContact CZ-OE1 3.41Å; R1285-E1289 VanDerWaalsContact CZ-OE1 3.26Å; R1285-E1289 IonicContact NE-OE1 3.48Å; R1285-E1289 PolarHBondContact NE-OE1 2.92Å; R1285-E1289 VanDerWaalsContact NE-OE1 3.1Å; R1285-E1289 IonicContact NH2-OE1 2.88Å; R1285-E1289 PolarHBondContact NH2-OE1 3.44Å; R1285-E1289 IonicContact NH2-OE2 4Å; R1285-E1289 WeakPolarHBondContact O-CG 3.47Å; R1285-E1289 PolarHBondContact O-N 2.95Å; I1286-E1289 PolarHBondContact O-N 3.25Å; I1287-E1289 VanDerWaalsContact C-N 3.31Å; I1287-E1289 PolarHBondContact O-N 3.42Å; E1289-R1319 WeakPolarHBondContact OE1-CD 3.29Å; E1289-R1319 IonicContact OE1-CZ 3.23Å; E1289-R1319 IonicContact OE1-NE 2.86Å; E1289-R1319 IonicContact OE1-NH1 2.65Å |
| 1290 | N | 96.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -113.6 | -12.9 | -163.4 | -61.5 | -67.1 | 0 | 0 | 0 | 115.4 | L997 R1000 E1001 I1286 I1287 | L997-N1290 HydrophobicContact CD2-CB 3.62Å; R1000-N1290 HydrophobicContact CB-CB 3.88Å; R1000-N1290 WeakPolarHBondContact CB-OD1 3.47Å; R1000-N1290 WeakPolarHBondContact CD-O 3.42Å; R1000-N1290 PolarHBondContact NH1-O 2.77Å; R1000-N1290 PolarHBondContact O-OD1 3.31Å; E1001-N1290 WeakPolarHBondContact CA-OD1 3.36Å; E1001-N1290 PolarHBondContact N-OD1 2.93Å; E1001-N1290 PolarHBondContact OE2-ND2 2.9Å; I1286-N1290 WeakPolarHBondContact O-CB 3.42Å; I1286-N1290 PolarHBondContact O-N 3.27Å; I1286-N1290 PolarHBondContact O-ND2 3.46Å; I1287-N1290 PolarHBondContact O-N 3.31Å |
| 1291 | S | 96.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -67.2 | 164.1 | 169.3 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | K953 D1122 I1287 I1294 | K953-S1291 VanDerWaalsContact CD-O 3.32Å; K953-S1291 WeakPolarHBondContact CD-O 3.02Å; K953-S1291 VanDerWaalsContact CE-O 3.27Å; K953-S1291 WeakPolarHBondContact CE-O 3.44Å; K953-S1291 PolarHBondContact NZ-O 3.4Å; D1122-S1291 WeakPolarHBondContact OD1-CB 3.47Å; I1287-S1291 WeakPolarHBondContact O-CB 3.47Å; I1287-S1291 PolarHBondContact O-N 2.84Å; I1287-S1291 PolarHBondContact O-OG 3.24Å; S1291-I1294 WeakPolarHBondContact OG-CB 3.49Å; S1291-I1294 PolarHBondContact OG-N 3.29Å |
| 1292 | D | 92.4 | Very high | 96.4 | Very high | 26 Ų | 26 | 25.9 Ų | 25.9 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -71.6 | -49.5 | -180 | -69.8 | -23 | 0 | 0 | 0 | 111.4 | T949 A951 R1000 D1122 | T949-D1292 WeakPolarHBondContact CB-OD2 3.28Å; T949-D1292 WeakPolarHBondContact CG2-OD2 3.35Å; T949-D1292 PolarHBondContact OG1-OD1 3.48Å; T949-D1292 VanDerWaalsContact OG1-OD1 3.09Å; T949-D1292 PolarHBondContact OG1-OD2 2.97Å; A951-D1292 HydrophobicContact CB-CB 3.72Å; R1000-D1292 IonicContact CZ-OD1 2.76Å; R1000-D1292 VanDerWaalsContact CZ-OD1 3.29Å; R1000-D1292 IonicContact NH1-OD1 3.48Å; R1000-D1292 PolarHBondContact NH1-OD1 3.38Å; R1000-D1292 IonicContact NH2-OD1 3.33Å; R1000-D1292 PolarHBondContact NH2-OD1 3.06Å; D1122-D1292 PolarHBondContact OD1-N 3.42Å |
| 1293 | N | 92.3 | Very high | 96.4 | Very high | 81 Ų | 81 | 29 Ų | 29 | 43% | 0.433 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -151.8 | 39 | -174.8 | -159.2 | 29.5 | 0 | 0 | 0 | 113.6 | E1093 D1122 R1126 | E1093-N1293 PolarHBondContact OE1-ND2 3.43Å; D1122-N1293 VanDerWaalsContact OD2-C 3.3Å; D1122-N1293 WeakPolarHBondContact OD2-CA 3.41Å; D1122-N1293 PolarHBondContact OD2-N 2.67Å; R1126-N1293 PolarHBondContact NH2-O 3.47Å; R1126-N1293 VanDerWaalsContact NH2-O 3.14Å |
| 1294 | I | 95.9 | Very high | 96.3 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | trans | -90.2 | 114.8 | 171.1 | -58.5 | 179.2 | 0 | 0 | 0 | 109.7 | D1122 L1125 R1126 I1287 S1291 E1296 V1297 C1314 | D1122-I1294 HydrophobicContact CB-CG1 4.39Å; D1122-I1294 PolarHBondContact OD2-N 2.85Å; L1125-I1294 HydrophobicContact CB-CD1 3.64Å; L1125-I1294 HydrophobicContact CD1-CD1 4.17Å; R1126-I1294 HydrophobicContact CG-CD1 3.93Å; R1126-I1294 HydrophobicContact CG-CG1 4.17Å; I1287-I1294 HydrophobicContact CG2-CD1 4Å; I1287-I1294 HydrophobicContact CG2-CG2 4.44Å; S1291-I1294 WeakPolarHBondContact OG-CB 3.49Å; S1291-I1294 PolarHBondContact OG-N 3.29Å; I1294-E1296 WeakPolarHBondContact CG2-O 3.46Å; I1294-V1297 HydrophobicContact CG2-CG1 3.65Å; I1294-C1314 PolarHBondContact O-SG 2.61Å | ||
| 1295 | T | 95.9 | Very high | 96.2 | Very high | 80 Ų | 80 | 31.4 Ų | 31.4 | 49% | 0.491 | 16% | 0.16 | S | C | . | . | trans | -109 | -18 | -177.2 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | C1314 | T1295-C1314 VanDerWaalsContact C-SG 3.51Å; T1295-C1314 WeakPolarHBondContact O-CB 3.18Å; T1295-C1314 PolarHBondContact O-N 2.83Å; T1295-C1314 PolarHBondContact O-SG 2.9Å; T1295-C1314 VanDerWaalsContact O-SG 3.33Å | ||
| 1296 | E | 97 | Very high | 95.8 | Very high | 48 Ų | 48 | 37.5 Ų | 37.5 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.5 | 176.2 | -58.4 | 179.5 | 117 | 0 | 0 | 108.5 | W1095 I1294 R1308 L1311 I1312 | W1095-E1296 HydrophobicContact CZ2-CB 4.28Å; W1095-E1296 WeakPolarHBondContact CZ2-O 3.35Å; I1294-E1296 WeakPolarHBondContact CG2-O 3.46Å; E1296-R1308 IonicContact OE2-CZ 3.63Å; E1296-R1308 IonicContact OE2-NE 3.86Å; E1296-R1308 PolarHBondContact OE2-NE 3.23Å; E1296-R1308 IonicContact OE2-NH2 3.7Å; E1296-R1308 PolarHBondContact OE2-NH2 3.18Å; E1296-L1311 HydrophobicContact CB-CB 4.24Å; E1296-I1312 CarbonylContact C-O 3.6Å; E1296-I1312 VanDerWaalsContact CA-O 3.32Å; E1296-I1312 WeakPolarHBondContact CA-O 3.43Å |
| 1297 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 158.6 | 178.4 | -68.2 | 0 | 0 | 0 | 0 | 109.8 | L1129 I1287 C1288 I1294 I1312 I1317 | L1129-V1297 HydrophobicContact CD1-CG1 4.01Å; I1287-V1297 HydrophobicContact CG2-CG1 4.35Å; C1288-V1297 VanDerWaalsContact SG-CG2 3.58Å; I1294-V1297 HydrophobicContact CG2-CG1 3.65Å; V1297-I1312 PolarHBondContact N-O 2.77Å; V1297-I1312 WeakPolarHBondContact O-CG1 3.34Å; V1297-I1312 PolarHBondContact O-N 3.14Å; V1297-I1317 HydrophobicContact CG2-CD1 3.27Å |
| 1298 | P | 96.7 | Very high | 95.1 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 4% | 0.039 | 22% | 0.221 | C | C | . | . | trans | -65.6 | 149.3 | 165.3 | 29.5 | -35.1 | 0 | 0 | 0 | 110.3 | L1129 S1284 N1300 L1311 | L1129-P1298 HydrophobicContact CB-CG 4.41Å; L1129-P1298 HydrophobicContact CD2-CG 4.02Å; S1284-P1298 WeakPolarHBondContact CB-O 3.45Å; S1284-P1298 PolarHBondContact OG-O 2.79Å; P1298-N1300 VanDerWaalsContact C-N 3.27Å; P1298-N1300 PolarHBondContact O-N 3.21Å; P1298-L1311 HydrophobicContact CB-CD2 4.33Å | ||
| 1299 | E | 95.3 | Very high | 94.9 | Very high | 154 Ų | 154 | 51 Ų | 51 | 72% | 0.72 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -57.6 | -42.2 | 178.8 | -176.7 | 172.2 | -169.5 | 0 | 0 | 111.9 | S1284 I1312 | S1284-E1299 PolarHBondContact OG-O 3.06Å; E1299-I1312 HydrophobicContact CB-CD1 3.9Å; E1299-I1312 HydrophobicContact CG-CD1 4.25Å |
| 1300 | N | 96.1 | Very high | 94.8 | Very high | 32 Ų | 32 | 52.3 Ų | 52.3 | 17% | 0.171 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -113.2 | 113.8 | 170.5 | -177.5 | -17.6 | 0 | 0 | 0 | 109.5 | Y1040 M1044 P1298 F1302 I1303 | Y1040-N1300 WeakPolarHBondContact CD1-ND2 3.26Å; M1044-N1300 WeakPolarHBondContact CE-ND2 3.23Å; P1298-N1300 VanDerWaalsContact C-N 3.27Å; P1298-N1300 PolarHBondContact O-N 3.21Å; N1300-F1302 PolarHBondContact O-N 2.84Å; N1300-F1302 WeakPolarHBondContact OD1-CD2 3.35Å; N1300-F1302 PolarHBondContact OD1-N 3.06Å; N1300-I1303 HydrophobicContact CB-CB 4.44Å; N1300-I1303 HydrophobicContact CB-CD1 3.97Å; N1300-I1303 HydrophobicContact CB-CG1 4.06Å; N1300-I1303 PolarHBondContact O-N 2.88Å |
| 1301 | A | 97.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.017 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -23.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S824 M826 L1129 L1283 S1284 | S824-A1301 PolarHBondContact OG-O 2.79Å; M826-A1301 WeakPolarHBondContact CB-O 3.46Å; M826-A1301 HydrophobicContact CG-CB 4.15Å; L1129-A1301 HydrophobicContact CD2-CB 3.77Å; L1283-A1301 HydrophobicContact CB-CB 4.02Å; L1283-A1301 HydrophobicContact CD2-CB 4.08Å; L1283-A1301 HydrophobicContact CG-CB 4.07Å; S1284-A1301 WeakPolarHBondContact OG-CB 3.37Å; S1284-A1301 PolarHBondContact OG-N 3.46Å; S1284-A1301 VanDerWaalsContact OG-N 3.08Å |
| 1302 | F | 98 | Very high | 94.8 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -13 | -179 | -54.1 | -55.9 | 0 | 0 | 0 | 114.2 | F823 S824 M826 L827 W830 I1036 W1041 M1044 L1283 N1300 | F823-F1302 VanDerWaalsContact CA-O 3.32Å; F823-F1302 WeakPolarHBondContact CA-O 3.25Å; S824-F1302 PolarHBondContact N-O 3.17Å; S824-F1302 WeakPolarHBondContact OG-CA 3.41Å; S824-F1302 PolarHBondContact OG-O 3.25Å; M826-F1302 HydrophobicContact CB-CD1 4.35Å; M826-F1302 HydrophobicContact CG-CD1 4.06Å; M826-F1302 HydrophobicContact CG-CE1 4.03Å; L827-F1302 HydrophobicContact CB-CB 4.46Å; L827-F1302 HydrophobicContact CB-CD1 4.34Å; L827-F1302 HydrophobicContact CD1-CB 4.14Å; L827-F1302 HydrophobicContact CD1-CD1 4.22Å; L827-F1302 HydrophobicContact CD1-CG 4.24Å; W830-F1302 HydrophobicContact CB-CE1 3.57Å; W830-F1302 HydrophobicContact CB-CZ 4.15Å; W830-F1302 HydrophobicContact CD2-CE1 4.38Å; W830-F1302 HydrophobicContact CD2-CZ 4.12Å; W830-F1302 AromaticContact CG-CE1 3.79Å; W830-F1302 HydrophobicContact CG-CE1 3.79Å; W830-F1302 AromaticContact CG-CZ 3.84Å; W830-F1302 HydrophobicContact CG-CZ 3.84Å; I1036-F1302 HydrophobicContact CG2-CE2 3.82Å; I1036-F1302 HydrophobicContact CG2-CZ 3.64Å; W1041-F1302 HydrophobicContact CB-CE2 4.35Å; W1041-F1302 HydrophobicContact CB-CZ 4.38Å; M1044-F1302 HydrophobicContact CE-CB 3.91Å; M1044-F1302 HydrophobicContact SD-CB 3.44Å; M1044-F1302 WeakPolarHBondContact SD-CB 3.25Å; M1044-F1302 HydrophobicContact SD-CD2 4.46Å; M1044-F1302 HydrophobicContact SD-CG 4.26Å; L1283-F1302 HydrophobicContact CD2-CE1 3.7Å; L1283-F1302 HydrophobicContact CD2-CZ 3.73Å; N1300-F1302 PolarHBondContact O-N 2.84Å; N1300-F1302 WeakPolarHBondContact OD1-CD2 3.35Å; N1300-F1302 PolarHBondContact OD1-N 3.06Å |
| 1303 | I | 97.2 | Very high | 95 | Very high | 81 Ų | 81 | 56 Ų | 56 | 42% | 0.415 | 28% | 0.279 | S | S | . | . | B | Isolated β-bridge | trans | -92.5 | 131.7 | 178.3 | -61.8 | -179.4 | 0 | 0 | 0 | 108.7 | M1044 N1300 | M1044-I1303 HydrophobicContact CE-CD1 4.36Å; M1044-I1303 HydrophobicContact CE-CG1 3.91Å; N1300-I1303 HydrophobicContact CB-CB 4.44Å; N1300-I1303 HydrophobicContact CB-CD1 3.97Å; N1300-I1303 HydrophobicContact CB-CG1 4.06Å; N1300-I1303 PolarHBondContact O-N 2.88Å |
| 1304 | R | 94.8 | Very high | 95.2 | Very high | 50 Ų | 50 | 52.9 Ų | 52.9 | 19% | 0.189 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -75 | 126.3 | 177.6 | -172 | -176.8 | 176 | 175.7 | 3 | 110.1 | E819 D820 N821 K822 | E819-R1304 IonicContact OE2-CZ 2.64Å; E819-R1304 VanDerWaalsContact OE2-CZ 3.23Å; E819-R1304 IonicContact OE2-NH1 3.1Å; E819-R1304 PolarHBondContact OE2-NH1 2.53Å; E819-R1304 IonicContact OE2-NH2 3.26Å; E819-R1304 PolarHBondContact OE2-NH2 2.83Å; D820-R1304 WeakPolarHBondContact O-CD 2.93Å; D820-R1304 PolarHBondContact O-NH1 2.57Å; N821-R1304 PolarHBondContact OD1-NH1 3.5Å; K822-R1304 PolarHBondContact O-N 2.97Å |
| 1305 | P | 94.9 | Very high | 95.2 | Very high | 7 Ų | 7 | 57 Ų | 57 | 5% | 0.045 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -71 | 142 | 170.2 | 29.8 | -33.5 | 0 | 0 | 0 | 110.5 | L1129 F1130 G1307 D1310 L1311 | L1129-P1305 WeakPolarHBondContact O-CD 3.1Å; F1130-P1305 HydrophobicContact CD2-CG 3.64Å; F1130-P1305 HydrophobicContact CE2-CG 4.06Å; F1130-P1305 HydrophobicContact CG-CG 4.31Å; P1305-G1307 PolarHBondContact O-N 3.01Å; P1305-D1310 HydrophobicContact CB-CB 3.82Å; P1305-L1311 HydrophobicContact CB-CD2 4.12Å; P1305-L1311 HydrophobicContact CG-CD2 4.01Å |
| 1306 | N | 89.8 | Confident | 95.2 | Very high | 143 Ų | 143 | 61.7 Ų | 61.7 | 77% | 0.765 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -73.9 | -18.5 | 173.9 | -58.6 | -72.9 | 0 | 0 | 0 | 112.1 | D1310 | N1306-D1310 WeakPolarHBondContact CA-OD2 3.33Å; N1306-D1310 VanDerWaalsContact CB-OD2 3.23Å; N1306-D1310 WeakPolarHBondContact CB-OD2 3.34Å; N1306-D1310 PolarHBondContact N-OD2 3.41Å; N1306-D1310 PolarHBondContact ND2-OD2 3.33Å |
| 1307 | G | 89.2 | Confident | 95.1 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 179.6 | -179.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P1305 K1309 D1310 | P1305-G1307 PolarHBondContact O-N 3.01Å; G1307-K1309 PolarHBondContact O-N 3.16Å; G1307-D1310 PolarHBondContact O-N 3.05Å |
| 1308 | R | 90.6 | Very high | 94.9 | Very high | 113 Ų | 113 | 62.6 Ų | 62.6 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -55.7 | -29.5 | -176.8 | -167.6 | 178 | 178.7 | 170.1 | 1.4 | 113.8 | E1296 D1310 L1311 | E1296-R1308 IonicContact OE2-CZ 3.63Å; E1296-R1308 IonicContact OE2-NE 3.86Å; E1296-R1308 PolarHBondContact OE2-NE 3.23Å; E1296-R1308 IonicContact OE2-NH2 3.7Å; E1296-R1308 PolarHBondContact OE2-NH2 3.18Å; R1308-D1310 PolarHBondContact O-N 3.04Å; R1308-L1311 HydrophobicContact CG-CD1 4.04Å; R1308-L1311 VanDerWaalsContact O-CB 3.3Å; R1308-L1311 WeakPolarHBondContact O-CB 3.47Å; R1308-L1311 WeakPolarHBondContact O-CG 3.42Å; R1308-L1311 PolarHBondContact O-N 2.94Å; R1308-L1311 VanDerWaalsContact O-N 3.08Å |
| 1309 | K | 92.7 | Very high | 94.8 | Very high | 180 Ų | 180 | 69.9 Ų | 69.9 | 78% | 0.783 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -62.5 | -21.5 | 178.3 | 70 | 179.4 | -176 | 179.2 | 0 | 114.5 | G1307 L1311 | G1307-K1309 PolarHBondContact O-N 3.16Å; K1309-L1311 VanDerWaalsContact C-N 3.3Å |
| 1310 | D | 93.8 | Very high | 94.7 | Very high | 61 Ų | 61 | 63.4 Ų | 63.4 | 33% | 0.326 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -87.7 | -4.1 | 179.2 | -62.3 | -11.6 | 0 | 0 | 0 | 111.5 | P1305 N1306 G1307 R1308 | P1305-D1310 HydrophobicContact CB-CB 3.82Å; N1306-D1310 WeakPolarHBondContact CA-OD2 3.33Å; N1306-D1310 VanDerWaalsContact CB-OD2 3.23Å; N1306-D1310 WeakPolarHBondContact CB-OD2 3.34Å; N1306-D1310 PolarHBondContact N-OD2 3.41Å; N1306-D1310 PolarHBondContact ND2-OD2 3.33Å; G1307-D1310 PolarHBondContact O-N 3.05Å; R1308-D1310 PolarHBondContact O-N 3.04Å |
| 1311 | L | 96.2 | Very high | 94.7 | Very high | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.073 | 32% | 0.319 | C | S | . | . | trans | -84.5 | 145.5 | 174.3 | -54.8 | 175.1 | 0 | 0 | 0 | 110.4 | W1095 F1130 E1296 P1298 P1305 R1308 K1309 | W1095-L1311 HydrophobicContact CD2-CD1 3.55Å; W1095-L1311 HydrophobicContact CE3-CD1 4.04Å; W1095-L1311 HydrophobicContact CG-CD1 4.06Å; W1095-L1311 HydrophobicContact CH2-CD1 3.93Å; W1095-L1311 HydrophobicContact CH2-CD2 4.18Å; W1095-L1311 HydrophobicContact CZ2-CD1 3.45Å; W1095-L1311 VanDerWaalsContact CZ2-CD1 3.45Å; W1095-L1311 HydrophobicContact CZ2-CD2 4.39Å; W1095-L1311 HydrophobicContact CZ3-CD1 4.2Å; W1095-L1311 HydrophobicContact CZ3-CD2 4.49Å; F1130-L1311 HydrophobicContact CD2-CD1 4.48Å; F1130-L1311 HydrophobicContact CE2-CD1 4.44Å; E1296-L1311 HydrophobicContact CB-CB 4.24Å; P1298-L1311 HydrophobicContact CB-CD2 4.33Å; P1305-L1311 HydrophobicContact CB-CD2 4.12Å; P1305-L1311 HydrophobicContact CG-CD2 4.01Å; R1308-L1311 HydrophobicContact CG-CD1 4.04Å; R1308-L1311 VanDerWaalsContact O-CB 3.3Å; R1308-L1311 WeakPolarHBondContact O-CB 3.47Å; R1308-L1311 WeakPolarHBondContact O-CG 3.42Å; R1308-L1311 PolarHBondContact O-N 2.94Å; R1308-L1311 VanDerWaalsContact O-N 3.08Å; K1309-L1311 VanDerWaalsContact C-N 3.3Å | ||
| 1312 | I | 96.7 | Very high | 94.6 | Very high | 25 Ų | 25 | 66 Ų | 66 | 13% | 0.128 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 150.1 | 177.5 | 60.7 | 169.1 | 0 | 0 | 0 | 110.4 | E1296 V1297 E1299 R1316 I1317 | E1296-I1312 CarbonylContact C-O 3.6Å; E1296-I1312 VanDerWaalsContact CA-O 3.32Å; E1296-I1312 WeakPolarHBondContact CA-O 3.43Å; V1297-I1312 PolarHBondContact N-O 2.77Å; V1297-I1312 WeakPolarHBondContact O-CG1 3.34Å; V1297-I1312 PolarHBondContact O-N 3.14Å; E1299-I1312 HydrophobicContact CB-CD1 3.9Å; E1299-I1312 HydrophobicContact CG-CD1 4.25Å; I1312-R1316 HydrophobicContact CD1-CB 4.5Å; I1312-I1317 HydrophobicContact CD1-CD1 4.09Å; I1312-I1317 HydrophobicContact CD1-CG1 3.72Å; I1312-I1317 HydrophobicContact CG1-CD1 4.38Å; I1312-I1317 HydrophobicContact CG1-CG1 4.35Å |
| 1313 | D | 97.3 | Very high | 94.3 | Very high | 73 Ų | 73 | 68.5 Ų | 68.5 | 39% | 0.39 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 136.9 | 174.4 | -173.7 | -80.7 | 0 | 0 | 0 | 111.3 | S1315 R1316 | D1313-S1315 PolarHBondContact O-N 2.75Å; D1313-S1315 WeakPolarHBondContact OD1-CA 3.34Å; D1313-S1315 WeakPolarHBondContact OD1-CB 2.96Å; D1313-S1315 PolarHBondContact OD1-N 2.97Å; D1313-S1315 PolarHBondContact OD1-OG 3.17Å; D1313-R1316 WeakPolarHBondContact O-CB 3.07Å; D1313-R1316 PolarHBondContact O-N 2.05Å |
| 1314 | C | 96.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 66.9 Ų | 66.9 | 10% | 0.101 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -55.7 | -23.1 | 179.9 | -81.2 | 0 | 0 | 0 | 0 | 114.1 | R1285 C1288 I1294 T1295 R1316 I1317 | R1285-C1314 PolarHBondContact NH1-O 3.01Å; C1288-C1314 HydrophobicContact CB-CB 3.62Å; C1288-C1314 WeakPolarHBondContact CB-SG 3.5Å; C1288-C1314 VanDerWaalsContact SG-CA 3.56Å; C1288-C1314 WeakPolarHBondContact SG-CB 3.49Å; C1288-C1314 CovalentContact SG-SG 2.03Å; C1288-C1314 PolarHBondContact SG-SG 3.1Å; I1294-C1314 PolarHBondContact O-SG 2.61Å; T1295-C1314 VanDerWaalsContact C-SG 3.51Å; T1295-C1314 WeakPolarHBondContact O-CB 3.18Å; T1295-C1314 PolarHBondContact O-N 2.83Å; T1295-C1314 PolarHBondContact O-SG 2.9Å; T1295-C1314 VanDerWaalsContact O-SG 3.33Å; C1314-R1316 PolarHBondContact O-N 3.35Å; C1314-I1317 PolarHBondContact O-N 2.86Å |
| 1315 | S | 95.6 | Very high | 94.2 | Very high | 95 Ų | 95 | 64.8 Ų | 64.8 | 66% | 0.664 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -66.4 | -24.3 | 173.7 | 66.4 | 0 | 0 | 0 | 0 | 113.6 | D1313 | D1313-S1315 PolarHBondContact O-N 2.75Å; D1313-S1315 WeakPolarHBondContact OD1-CA 3.34Å; D1313-S1315 WeakPolarHBondContact OD1-CB 2.96Å; D1313-S1315 PolarHBondContact OD1-N 2.97Å; D1313-S1315 PolarHBondContact OD1-OG 3.17Å |
| 1316 | R | 96 | Very high | 94.1 | Very high | 177 Ų | 177 | 70.7 Ų | 70.7 | 67% | 0.668 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -81.2 | -16.3 | 179.9 | -63.8 | 176.8 | 60.4 | -170.6 | -5 | 113.1 | I1312 D1313 C1314 | I1312-R1316 HydrophobicContact CD1-CB 4.5Å; D1313-R1316 WeakPolarHBondContact O-CB 3.07Å; D1313-R1316 PolarHBondContact O-N 2.05Å; C1314-R1316 PolarHBondContact O-N 3.35Å |
| 1317 | I | 94.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 67.3 Ų | 67.3 | 5% | 0.046 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -87.3 | 120.2 | 178.6 | -56.3 | -172.3 | 0 | 0 | 0 | 109.5 | R1285 V1297 I1312 C1314 R1319 | R1285-I1317 HydrophobicContact CB-CG2 3.7Å; R1285-I1317 WeakPolarHBondContact CD-O 3.49Å; R1285-I1317 HydrophobicContact CG-CG2 4.4Å; R1285-I1317 PolarHBondContact NH1-O 2.92Å; V1297-I1317 HydrophobicContact CG2-CD1 3.27Å; I1312-I1317 HydrophobicContact CD1-CD1 4.09Å; I1312-I1317 HydrophobicContact CD1-CG1 3.72Å; I1312-I1317 HydrophobicContact CG1-CD1 4.38Å; I1312-I1317 HydrophobicContact CG1-CG1 4.35Å; C1314-I1317 PolarHBondContact O-N 2.86Å; I1317-R1319 PolarHBondContact O-N 2.9Å |
| 1318 | P | 93.5 | Very high | 93.1 | Very high | 58 Ų | 58 | 71.4 Ų | 71.4 | 38% | 0.377 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 134.4 | -176.4 | -26.6 | 34.7 | 0 | 0 | 0 | 113.8 | A1279 R1285 | A1279-P1318 HydrophobicContact CB-CB 4.13Å; R1285-P1318 WeakPolarHBondContact CD-O 3.13Å; R1285-P1318 WeakPolarHBondContact CG-O 3.49Å |
| 1319 | R | 94.4 | Very high | 91.5 | Very high | 160 Ų | 160 | 70.4 Ų | 70.4 | 60% | 0.604 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 148.3 | 171.5 | -46.6 | -153.1 | 175.2 | -164 | -6 | 110.4 | A1279 R1285 E1289 I1317 N1321 | A1279-R1319 WeakPolarHBondContact CB-O 3.48Å; R1285-R1319 VanDerWaalsContact CZ-CG 3.46Å; R1285-R1319 VanDerWaalsContact NH2-CZ 3.3Å; E1289-R1319 WeakPolarHBondContact OE1-CD 3.29Å; E1289-R1319 IonicContact OE1-CZ 3.23Å; E1289-R1319 IonicContact OE1-NE 2.86Å; E1289-R1319 IonicContact OE1-NH1 2.65Å; I1317-R1319 PolarHBondContact O-N 2.9Å; R1319-N1321 PolarHBondContact O-N 2.99Å |
| 1320 | L | 93.8 | Very high | 89.3 | Confident | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 117 | 168.5 | -178.3 | 69.3 | 0 | 0 | 0 | 109.7 | L1005 I1028 E1275 L1322 | L1005-L1320 HydrophobicContact CD2-CD2 4.18Å; I1028-L1320 HydrophobicContact CG2-CD2 3.78Å; E1275-L1320 HydrophobicContact CB-CD1 3.88Å; E1275-L1320 WeakPolarHBondContact O-CD1 3.44Å; L1320-L1322 HydrophobicContact CD2-CD2 3.72Å; L1320-L1322 HydrophobicContact CG-CD2 4.13Å; L1320-L1322 PolarHBondContact O-N 3.08Å; L1320-L1322 VanDerWaalsContact O-N 3.14Å |
| 1321 | N | 94.8 | Very high | 86.5 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 40% | 0.401 | 39% | 0.39 | S | S | . | . | trans | -80.1 | 96.1 | 179.3 | -178 | 7.9 | 0 | 0 | 0 | 111.2 | E1275 R1319 A1323 V1324 | E1275-N1321 HydrophobicContact CG-CB 4.08Å; E1275-N1321 WeakPolarHBondContact OE2-CB 3.41Å; E1275-N1321 PolarHBondContact OE2-N 3.07Å; R1319-N1321 PolarHBondContact O-N 2.99Å; N1321-A1323 PolarHBondContact O-N 3.14Å; N1321-A1323 WeakPolarHBondContact OD1-CB 3.12Å; N1321-A1323 PolarHBondContact OD1-N 3.44Å; N1321-A1323 VanDerWaalsContact OD1-N 3.11Å; N1321-V1324 WeakPolarHBondContact O-CG2 3.44Å | ||
| 1322 | L | 95.1 | Very high | 83.4 | Confident | 13 Ų | 13 | 79 Ų | 79 | 7% | 0.068 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -73.3 | -6.6 | -180 | -65.9 | 175.5 | 0 | 0 | 0 | 114.4 | L1005 L1012 I1028 L1320 V1324 W1325 | L1005-L1322 HydrophobicContact CD2-CD1 3.92Å; L1005-L1322 HydrophobicContact CD2-CD2 3.97Å; L1005-L1322 HydrophobicContact CD2-CG 4.46Å; L1012-L1322 HydrophobicContact CD1-CB 3.53Å; L1012-L1322 VanDerWaalsContact CD1-O 3.31Å; L1012-L1322 WeakPolarHBondContact CD1-O 3.43Å; I1028-L1322 HydrophobicContact CD1-CD2 3.99Å; L1320-L1322 HydrophobicContact CD2-CD2 3.72Å; L1320-L1322 HydrophobicContact CG-CD2 4.13Å; L1320-L1322 PolarHBondContact O-N 3.08Å; L1320-L1322 VanDerWaalsContact O-N 3.14Å; L1322-V1324 PolarHBondContact O-N 3.14Å; L1322-V1324 VanDerWaalsContact O-N 3.08Å; L1322-W1325 HydrophobicContact CD2-CD2 4.48Å; L1322-W1325 HydrophobicContact CD2-CE3 4.1Å; L1322-W1325 HydrophobicContact CD2-CZ3 4.46Å; L1322-W1325 WeakPolarHBondContact O-CB 3.39Å; L1322-W1325 PolarHBondContact O-N 3.21Å |
| 1323 | A | 93 | Very high | 80.3 | Confident | 54 Ų | 54 | 80.5 Ų | 80.5 | 45% | 0.446 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -58.7 | -25.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1321 W1325 K1326 | N1321-A1323 PolarHBondContact O-N 3.14Å; N1321-A1323 WeakPolarHBondContact OD1-CB 3.12Å; N1321-A1323 PolarHBondContact OD1-N 3.44Å; N1321-A1323 VanDerWaalsContact OD1-N 3.11Å; A1323-W1325 PolarHBondContact O-N 3.23Å; A1323-K1326 VanDerWaalsContact O-CB 3.27Å; A1323-K1326 WeakPolarHBondContact O-CB 3.49Å; A1323-K1326 PolarHBondContact O-N 3.2Å |
| 1324 | V | 93.8 | Very high | 77.1 | Confident | 48 Ų | 48 | 87.5 Ų | 87.5 | 29% | 0.291 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -76.9 | -1.3 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 113.9 | A1271 Q1272 E1275 N1321 L1322 | A1271-V1324 HydrophobicContact CB-CB 4.18Å; A1271-V1324 HydrophobicContact CB-CG1 4.11Å; Q1272-V1324 HydrophobicContact CB-CG2 4.41Å; Q1272-V1324 HydrophobicContact CG-CB 4.43Å; Q1272-V1324 HydrophobicContact CG-CG2 3.83Å; Q1272-V1324 PolarHBondContact NE2-O 3.09Å; E1275-V1324 HydrophobicContact CG-CG2 4.24Å; N1321-V1324 WeakPolarHBondContact O-CG2 3.44Å; L1322-V1324 PolarHBondContact O-N 3.14Å; L1322-V1324 VanDerWaalsContact O-N 3.08Å |
| 1325 | W | 94.7 | Very high | 73.9 | Confident | 5 Ų | 5 | 95 Ų | 95 | 2% | 0.019 | 51% | 0.513 | C | S | . | . | G | 310 helix | trans | -98.6 | 0.2 | 167.5 | -82.5 | -102.4 | 0 | 0 | 0 | 113.4 | L1009 N1013 I1028 F1268 Q1272 E1275 I1276 L1322 A1323 E1327 | L1009-W1325 HydrophobicContact CD2-CB 3.77Å; L1009-W1325 HydrophobicContact CD2-CG 4.13Å; N1013-W1325 PolarHBondContact ND2-O 3.26Å; I1028-W1325 HydrophobicContact CD1-CD2 4.2Å; I1028-W1325 HydrophobicContact CD1-CG 4.42Å; I1028-W1325 HydrophobicContact CD1-CZ2 4.14Å; I1028-W1325 HydrophobicContact CG1-CZ2 3.9Å; F1268-W1325 AromaticContact CD1-CZ2 3.86Å; F1268-W1325 HydrophobicContact CD1-CZ2 3.86Å; F1268-W1325 AromaticContact CE1-CZ2 3.82Å; F1268-W1325 HydrophobicContact CE1-CZ2 3.82Å; Q1272-W1325 HydrophobicContact CB-CH2 3.61Å; Q1272-W1325 HydrophobicContact CB-CZ2 3.63Å; Q1272-W1325 HydrophobicContact CB-CZ3 4.14Å; Q1272-W1325 HydrophobicContact CG-CD2 3.77Å; Q1272-W1325 HydrophobicContact CG-CE3 3.9Å; Q1272-W1325 HydrophobicContact CG-CG 4.45Å; Q1272-W1325 HydrophobicContact CG-CH2 3.78Å; Q1272-W1325 HydrophobicContact CG-CZ2 3.65Å; Q1272-W1325 HydrophobicContact CG-CZ3 3.91Å; E1275-W1325 HydrophobicContact CB-CZ3 4.43Å; I1276-W1325 HydrophobicContact CD1-CH2 4.08Å; I1276-W1325 HydrophobicContact CD1-CZ2 3.98Å; I1276-W1325 HydrophobicContact CG1-CH2 4Å; I1276-W1325 HydrophobicContact CG1-CZ2 4.35Å; L1322-W1325 HydrophobicContact CD2-CD2 4.48Å; L1322-W1325 HydrophobicContact CD2-CE3 4.1Å; L1322-W1325 HydrophobicContact CD2-CZ3 4.46Å; L1322-W1325 WeakPolarHBondContact O-CB 3.39Å; L1322-W1325 PolarHBondContact O-N 3.21Å; A1323-W1325 PolarHBondContact O-N 3.23Å; W1325-E1327 PolarHBondContact O-N 3.03Å |
| 1326 | K | 93 | Very high | 70.7 | Confident | 131 Ų | 131 | 95.5 Ų | 95.5 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 128.2 | 178.5 | -173.9 | 178.5 | -179.8 | 179.6 | 0 | 110.7 | N1013 A1323 | N1013-K1326 WeakPolarHBondContact OD1-CA 3.26Å; A1323-K1326 VanDerWaalsContact O-CB 3.27Å; A1323-K1326 WeakPolarHBondContact O-CB 3.49Å; A1323-K1326 PolarHBondContact O-N 3.2Å |
| 1327 | E | 87.3 | Confident | 67.6 | Low | 72 Ų | 72 | 92.1 Ų | 92.1 | 34% | 0.336 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -103.9 | 124.1 | 169.9 | -74.9 | 179.3 | -167.1 | 0 | 0 | 109.8 | R689 N1013 H1015 W1016 R1020 W1325 P1329 | R689-E1327 IonicContact NH2-OE1 2.74Å; N1013-E1327 PolarHBondContact OD1-N 3.22Å; H1015-E1327 PolarHBondContact CE1-O 2.88Å; H1015-E1327 IonicContact NE2-OE2 3.89Å; W1016-E1327 HydrophobicContact CZ2-CG 4.1Å; W1016-E1327 PolarHBondContact NE1-OE2 3.31Å; R1020-E1327 IonicContact CZ-OE1 3.92Å; R1020-E1327 IonicContact CZ-OE2 2.78Å; R1020-E1327 VanDerWaalsContact CZ-OE2 3.27Å; R1020-E1327 IonicContact NH1-OE2 2.99Å; R1020-E1327 PolarHBondContact NH1-OE2 2.68Å; R1020-E1327 IonicContact NH2-OE1 3.39Å; R1020-E1327 PolarHBondContact NH2-OE1 2.86Å; R1020-E1327 IonicContact NH2-OE2 3.57Å; R1020-E1327 PolarHBondContact NH2-OE2 2.94Å; W1325-E1327 PolarHBondContact O-N 3.03Å; E1327-P1329 WeakPolarHBondContact O-CD 3.46Å |
| 1328 | C | 72.3 | Confident | 64.6 | Low | 104 Ų | 104 | 100 Ų | 100 | 70% | 0.703 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 123.8 | 171.3 | -68.4 | 0 | 0 | 0 | 0 | 108.5 | F1330 | C1328-F1330 PolarHBondContact O-N 3.44Š|
| 1329 | P | 56 | Low | 61.7 | Low | 91 Ų | 91 | 106.5 Ų | 106.5 | 59% | 0.591 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.4 | 173.7 | 22.9 | -30 | 0 | 0 | 0 | 108.7 | E1327 T1331 | E1327-P1329 WeakPolarHBondContact O-CD 3.46Å; P1329-T1331 PolarHBondContact O-N 3.07Å |
| 1330 | F | 47.3 | Very low | 58.6 | Low | 194 Ų | 194 | 102 Ų | 102 | 85% | 0.851 | 58% | 0.582 | S | S | * | * | trans | -56.4 | 102.8 | 173.1 | -80.6 | -87.6 | 0 | 0 | 0 | 109.1 | C1328 S1332 | C1328-F1330 PolarHBondContact O-N 3.44Å; F1330-S1332 PolarHBondContact O-N 3.39Å | ||
| 1331 | T | 34.8 | Very low | 55.5 | Low | 126 Ų | 126 | 108.1 Ų | 108.1 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | trans | -70.3 | 107.3 | 160.4 | 49.3 | 0 | 0 | 0 | 0 | 106.2 | P1329 G1333 | P1329-T1331 PolarHBondContact O-N 3.07Å; T1331-G1333 PolarHBondContact O-N 3.07Å | ||
| 1332 | S | 31.4 | Very low | 52.2 | Low | 115 Ų | 115 | 108.5 Ų | 108.5 | 80% | 0.804 | 63% | 0.634 | S | S | * | * | trans | -60.6 | 87.6 | 159.5 | 53 | 0 | 0 | 0 | 0 | 107.6 | F1330 F1334 | F1330-S1332 PolarHBondContact O-N 3.39Å; S1332-F1334 PolarHBondContact O-N 3.15Å | ||
| 1333 | G | 30.4 | Very low | 49 | Very low | 58 Ų | 58 | 118.6 Ų | 118.6 | 60% | 0.598 | 67% | 0.672 | S | S | * | * | trans | -63.8 | 124 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | T1331 L1335 | T1331-G1333 PolarHBondContact O-N 3.07Å; G1333-L1335 PolarHBondContact O-N 3.46Å | ||
| 1334 | F | 30.2 | Very low | 45.9 | Very low | 219 Ų | 219 | 123.4 Ų | 123.4 | 96% | 0.961 | 69% | 0.689 | S | S | * | * | trans | -51.5 | 100.7 | 159.4 | -89.5 | -100.5 | 0 | 0 | 0 | 108.9 | S1332 S1336 | S1332-F1334 PolarHBondContact O-N 3.15Å; F1334-S1336 PolarHBondContact O-N 3.43Å | ||
| 1335 | L | 29.5 | Very low | 42.8 | Very low | 173 Ų | 173 | 127.7 Ų | 127.7 | 91% | 0.906 | 72% | 0.715 | S | S | * | * | trans | -78.9 | 100.8 | 159.6 | -85.5 | 160 | 0 | 0 | 0 | 107.2 | G1333 | G1333-L1335 PolarHBondContact O-N 3.46Š| ||
| 1336 | S | 29 | Very low | 39.7 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -79.1 | 132 | 158.2 | -157.6 | 0 | 0 | 0 | 0 | 107.8 | F1334 H1338 | F1334-S1336 PolarHBondContact O-N 3.43Å; S1336-H1338 PolarHBondContact O-N 3.01Å | ||
| 1337 | P | 30.6 | Very low | 36.7 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | trans | -81.8 | 111.2 | 179.9 | 31 | -27 | 0 | 0 | 0 | 108 | ||||
| 1338 | H | 31.9 | Very low | 33.9 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | 175.2 | 131.1 | 149.3 | -86.5 | -51.5 | 0 | 0 | 0 | 110.3 | S1336 | S1336-H1338 PolarHBondContact O-N 3.01Š| ||
| 1339 | H | 33.6 | Very low | 31.9 | Very low | 194 Ų | 194 | 136.6 Ų | 136.6 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | 67.9 | 127.7 | 179.4 | -58.2 | -69.5 | 0 | 0 | 0 | 114.7 | ||||
| 1340 | G | 28.5 | Very low | 30.9 | Very low | 65 Ų | 65 | 139.6 Ų | 139.6 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | cis | 148.3 | 107.4 | 17.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1341 | T | 28.2 | Very low | 30.1 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | 28.2 | 109.1 | 160.5 | 52.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1342 | A | 26.8 | Very low | 29.9 | Very low | 83 Ų | 83 | 137.5 Ų | 137.5 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | 164.9 | 137.4 | 113.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1343 | Y | 27.2 | Very low | 30.1 | Very low | 225 Ų | 225 | 135.3 Ų | 135.3 | 88% | 0.882 | 75% | 0.75 | S | S | * | * | trans | 67.1 | 94 | 166.6 | -56.6 | -77.2 | 0 | 0 | 0 | 119.1 | ||||
| 1344 | I | 27.8 | Very low | 30.3 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | trans | -126.5 | 110.6 | 155.2 | -60.2 | 177.2 | 0 | 0 | 0 | 107.9 | ||||
| 1345 | T | 28.2 | Very low | 30.5 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | trans | -127.9 | 133.3 | 159.2 | 44.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1346 | D | 29.8 | Very low | 30.9 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 93.3 | 50.9 | 163 | -124.1 | 10.4 | 0 | 0 | 0 | 119.6 | ||
| 1347 | T | 30.6 | Very low | 31.4 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 85% | 0.847 | 70% | 0.696 | S | S | * | * | trans | -142 | 78.5 | 154.9 | 43.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1348 | G | 28.4 | Very low | 31.9 | Very low | 47 Ų | 47 | 126 Ų | 126 | 49% | 0.485 | 68% | 0.683 | S | S | . | * | trans | -152.5 | 4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1349 | K | 30.6 | Very low | 32.3 | Very low | 170 Ų | 170 | 123.1 Ų | 123.1 | 74% | 0.739 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -105.3 | -8.3 | -169.7 | -84.3 | -178.7 | 176.4 | 173.2 | 0 | 117.2 | T1353 | K1349-T1353 PolarHBondContact O-OG1 3.09Š|
| 1350 | L | 33.9 | Very low | 32.5 | Very low | 155 Ų | 155 | 121.8 Ų | 121.8 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -95.7 | -27.4 | -175.6 | -92.3 | 140.6 | 0 | 0 | 0 | 114.9 | T1353 | L1350-T1353 PolarHBondContact O-OG1 3.28Š|
| 1351 | E | 31.9 | Very low | 33 | Very low | 151 Ų | 151 | 123.7 Ų | 123.7 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -91.8 | -16.3 | 175.8 | -71.1 | -176.5 | 156.6 | 0 | 0 | 113.3 | ||
| 1352 | Q | 30.1 | Very low | 33.4 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 58% | 0.579 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.6 | -22 | 174.7 | -75.4 | -173.3 | -2.3 | 0 | 0 | 113.1 | L1356 | Q1352-L1356 HydrophobicContact CB-CD1 4.24Å; Q1352-L1356 WeakPolarHBondContact O-CB 3.43Å; Q1352-L1356 VanDerWaalsContact O-CD1 3.31Å; Q1352-L1356 WeakPolarHBondContact O-CD1 3.04Å; Q1352-L1356 WeakPolarHBondContact O-CG 3.39Å; Q1352-L1356 PolarHBondContact O-N 3.03Å |
| 1353 | T | 34.5 | Very low | 34 | Very low | 70 Ų | 70 | 128.4 Ų | 128.4 | 43% | 0.429 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -75 | -37.6 | -178.8 | 20.4 | 0 | 0 | 0 | 0 | 112.6 | K1349 L1350 L1356 L1357 | K1349-T1353 PolarHBondContact O-OG1 3.09Å; L1350-T1353 PolarHBondContact O-OG1 3.28Å; T1353-L1356 PolarHBondContact O-N 3.19Å; T1353-L1357 VanDerWaalsContact O-CB 3.26Å; T1353-L1357 WeakPolarHBondContact O-CB 3.38Å; T1353-L1357 WeakPolarHBondContact O-CD1 3.41Å; T1353-L1357 WeakPolarHBondContact O-CG 3.47Å; T1353-L1357 PolarHBondContact O-N 3.04Å |
| 1354 | E | 34.6 | Very low | 34.5 | Very low | 148 Ų | 148 | 122.7 Ų | 122.7 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.3 | -40.4 | 173.3 | -71.9 | -173.9 | 151.4 | 0 | 0 | 111.9 | V1358 | E1354-V1358 VanDerWaalsContact O-CB 3.31Å; E1354-V1358 WeakPolarHBondContact O-CB 3.45Å; E1354-V1358 WeakPolarHBondContact O-CG2 3.4Å; E1354-V1358 PolarHBondContact O-N 3.36Å; E1354-V1358 VanDerWaalsContact O-N 3.08Å |
| 1355 | S | 35.1 | Very low | 34.8 | Very low | 52 Ų | 52 | 120 Ų | 120 | 36% | 0.364 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.4 | -39.6 | 174 | 165 | 0 | 0 | 0 | 0 | 112.6 | K1359 | S1355-K1359 WeakPolarHBondContact O-CB 3.4Å; S1355-K1359 WeakPolarHBondContact O-CD 3.29Å; S1355-K1359 WeakPolarHBondContact O-CG 3.26Å; S1355-K1359 PolarHBondContact O-N 2.98Å |
| 1356 | L | 37.7 | Very low | 35.2 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 49% | 0.492 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -75.7 | -34.9 | 179.5 | -79.5 | 161.5 | 0 | 0 | 0 | 112.8 | Q1352 T1353 K1359 R1360 | Q1352-L1356 HydrophobicContact CB-CD1 4.24Å; Q1352-L1356 WeakPolarHBondContact O-CB 3.43Å; Q1352-L1356 VanDerWaalsContact O-CD1 3.31Å; Q1352-L1356 WeakPolarHBondContact O-CD1 3.04Å; Q1352-L1356 WeakPolarHBondContact O-CG 3.39Å; Q1352-L1356 PolarHBondContact O-N 3.03Å; T1353-L1356 PolarHBondContact O-N 3.19Å; L1356-K1359 CarbonylContact O-C 3.27Å; L1356-R1360 VanDerWaalsContact O-CB 3.28Å; L1356-R1360 WeakPolarHBondContact O-CB 3.45Å; L1356-R1360 PolarHBondContact O-N 3Å |
| 1357 | L | 39.5 | Very low | 35.2 | Very low | 102 Ų | 102 | 116.9 Ų | 116.9 | 53% | 0.534 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.1 | -40.1 | 175.9 | -79.4 | 159.3 | 0 | 0 | 0 | 111.6 | T1353 R1360 Y1361 | T1353-L1357 VanDerWaalsContact O-CB 3.26Å; T1353-L1357 WeakPolarHBondContact O-CB 3.38Å; T1353-L1357 WeakPolarHBondContact O-CD1 3.41Å; T1353-L1357 WeakPolarHBondContact O-CG 3.47Å; T1353-L1357 PolarHBondContact O-N 3.04Å; L1357-R1360 PolarHBondContact O-N 2.84Å; L1357-Y1361 WeakPolarHBondContact O-CB 3.16Å; L1357-Y1361 PolarHBondContact O-N 3.38Å |
| 1358 | V | 40.7 | Very low | 35.3 | Very low | 68 Ų | 68 | 118.3 Ų | 118.3 | 41% | 0.412 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.6 | -35.1 | 172.5 | 175 | 0 | 0 | 0 | 0 | 111.2 | E1354 R1362 | E1354-V1358 VanDerWaalsContact O-CB 3.31Å; E1354-V1358 WeakPolarHBondContact O-CB 3.45Å; E1354-V1358 WeakPolarHBondContact O-CG2 3.4Å; E1354-V1358 PolarHBondContact O-N 3.36Å; E1354-V1358 VanDerWaalsContact O-N 3.08Å; V1358-R1362 WeakPolarHBondContact O-CB 3.49Å; V1358-R1362 PolarHBondContact O-N 3.19Å |
| 1359 | K | 39.6 | Very low | 35.5 | Very low | 116 Ų | 116 | 124 Ų | 124 | 50% | 0.504 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -73.2 | -30.7 | 171.4 | -77.3 | 174 | 179.8 | 174.6 | 0 | 113.3 | S1355 L1356 R1363 | S1355-K1359 WeakPolarHBondContact O-CB 3.4Å; S1355-K1359 WeakPolarHBondContact O-CD 3.29Å; S1355-K1359 WeakPolarHBondContact O-CG 3.26Å; S1355-K1359 PolarHBondContact O-N 2.98Å; L1356-K1359 CarbonylContact O-C 3.27Å; K1359-R1363 WeakPolarHBondContact O-CB 3.29Å; K1359-R1363 PolarHBondContact O-N 3.5Å |
| 1360 | R | 39.5 | Very low | 35.4 | Very low | 166 Ų | 166 | 123.1 Ų | 123.1 | 63% | 0.626 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.6 | -47.5 | 172 | -124.3 | 176.9 | -175.7 | 170.1 | 0.1 | 110.2 | L1356 L1357 R1362 R1363 D1364 | L1356-R1360 VanDerWaalsContact O-CB 3.28Å; L1356-R1360 WeakPolarHBondContact O-CB 3.45Å; L1356-R1360 PolarHBondContact O-N 3Å; L1357-R1360 PolarHBondContact O-N 2.84Å; R1360-R1362 VanDerWaalsContact C-N 3.29Å; R1360-R1362 PolarHBondContact O-N 3.08Å; R1360-R1363 CarbonylContact O-C 3.48Å; R1360-R1363 WeakPolarHBondContact O-CA 3.13Å; R1360-R1363 PolarHBondContact O-N 3.3Å; R1360-D1364 WeakPolarHBondContact O-CB 3.28Å; R1360-D1364 PolarHBondContact O-N 2.82Å |
| 1361 | Y | 38.2 | Very low | 35.3 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 41% | 0.412 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.7 | -37.9 | 176.5 | -155 | -93.5 | 0 | 0 | 0 | 112 | L700 L1357 T1365 | L700-Y1361 HydrophobicContact CD1-CE2 4.27Å; L1357-Y1361 WeakPolarHBondContact O-CB 3.16Å; L1357-Y1361 PolarHBondContact O-N 3.38Å; Y1361-T1365 PolarHBondContact O-N 3.08Å; Y1361-T1365 PolarHBondContact O-OG1 3.16Å |
| 1362 | R | 37.6 | Very low | 35.2 | Very low | 179 Ų | 179 | 121.7 Ų | 121.7 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.9 | -23.5 | 170.9 | -84.9 | -173 | -178.4 | 176.9 | 1.6 | 114.7 | V1358 R1360 I1366 | V1358-R1362 WeakPolarHBondContact O-CB 3.49Å; V1358-R1362 PolarHBondContact O-N 3.19Å; R1360-R1362 VanDerWaalsContact C-N 3.29Å; R1360-R1362 PolarHBondContact O-N 3.08Å; R1362-I1366 WeakPolarHBondContact O-CB 3.28Å; R1362-I1366 WeakPolarHBondContact O-CD1 3.2Å; R1362-I1366 VanDerWaalsContact O-CG1 3.3Å; R1362-I1366 WeakPolarHBondContact O-CG1 3.46Å |
| 1363 | R | 37.7 | Very low | 35.1 | Very low | 150 Ų | 150 | 120.9 Ų | 120.9 | 57% | 0.566 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -81 | -43.5 | 174.1 | -126.1 | 176.7 | -102.2 | 149.7 | -9.2 | 110 | K1359 R1360 T1365 I1366 T1367 | K1359-R1363 WeakPolarHBondContact O-CB 3.29Å; K1359-R1363 PolarHBondContact O-N 3.5Å; R1360-R1363 CarbonylContact O-C 3.48Å; R1360-R1363 WeakPolarHBondContact O-CA 3.13Å; R1360-R1363 PolarHBondContact O-N 3.3Å; R1363-T1365 VanDerWaalsContact C-N 3.27Å; R1363-T1365 PolarHBondContact O-N 3.45Å; R1363-I1366 CarbonylContact O-C 3.53Å; R1363-I1366 PolarHBondContact O-N 3.08Å; R1363-T1367 PolarHBondContact O-N 3.02Å; R1363-T1367 PolarHBondContact O-OG1 3.16Å |
| 1364 | D | 37.7 | Very low | 34.9 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 56% | 0.556 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.3 | -16.6 | -177.4 | -57.2 | -22 | 0 | 0 | 0 | 112.7 | R1360 | R1360-D1364 WeakPolarHBondContact O-CB 3.28Å; R1360-D1364 PolarHBondContact O-N 2.82Å |
| 1365 | T | 35.5 | Very low | 34.8 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 61% | 0.613 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -7.2 | 167.3 | 35.3 | 0 | 0 | 0 | 0 | 114.6 | Y1361 R1363 | Y1361-T1365 PolarHBondContact O-N 3.08Å; Y1361-T1365 PolarHBondContact O-OG1 3.16Å; R1363-T1365 VanDerWaalsContact C-N 3.27Å; R1363-T1365 PolarHBondContact O-N 3.45Å |
| 1366 | I | 35.8 | Very low | 34.6 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 69% | 0.692 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | -10.1 | -175.4 | -62.1 | 179.1 | 0 | 0 | 0 | 112.6 | R1362 R1363 | R1362-I1366 WeakPolarHBondContact O-CB 3.28Å; R1362-I1366 WeakPolarHBondContact O-CD1 3.2Å; R1362-I1366 VanDerWaalsContact O-CG1 3.3Å; R1362-I1366 WeakPolarHBondContact O-CG1 3.46Å; R1363-I1366 CarbonylContact O-C 3.53Å; R1363-I1366 PolarHBondContact O-N 3.08Å |
| 1367 | T | 30.5 | Very low | 34.4 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | trans | -121.6 | 77.3 | 176.5 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | R1363 | R1363-T1367 PolarHBondContact O-N 3.02Å; R1363-T1367 PolarHBondContact O-OG1 3.16Å | ||
| 1368 | N | 32.7 | Very low | 34.1 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 89% | 0.893 | 69% | 0.686 | S | S | * | * | trans | -116.2 | 25.2 | 159.2 | -101.2 | -14.2 | 0 | 0 | 0 | 111.5 | ||||
| 1369 | E | 32.1 | Very low | 34 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -117.4 | 122.3 | 164.7 | -68.9 | -175.7 | 162 | 0 | 0 | 107.3 | ||
| 1370 | N | 29.1 | Very low | 34.4 | Very low | 152 Ų | 152 | 140.6 Ų | 140.6 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | trans | 82.8 | 102.8 | 178.5 | -46.7 | -47 | 0 | 0 | 0 | 116.1 | ||||
| 1371 | I | 31.5 | Very low | 34.7 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 88% | 0.882 | 71% | 0.705 | S | S | * | * | -167.7 | 114.3 | 117.2 | -87.5 | 147.5 | 0 | 0 | 0 | 108.3 | |||||
| 1372 | S | 29.4 | Very low | 35.2 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | trans | -72.2 | 158.4 | 165.6 | 50.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1373 | S | 28.8 | Very low | 36.4 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | 101.7 | 123.1 | 156 | 83 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1374 | E | 30 | Very low | 37.5 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | trans | 89 | 73.9 | 161.7 | -56.3 | -173.9 | 166.4 | 0 | 0 | 118 | ||||
| 1375 | N | 32.9 | Very low | 38.5 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 90% | 0.904 | 72% | 0.719 | S | S | * | * | -171.9 | 134.9 | 109.2 | -100.5 | -37.7 | 0 | 0 | 0 | 111.8 | |||||
| 1376 | K | 30.3 | Very low | 40 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | trans | -78.2 | 145.6 | -177.5 | -68.9 | 171.2 | 175.5 | 174.2 | 0 | 109.7 | ||||
| 1377 | N | 33 | Very low | 41.7 | Very low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | trans | 102.3 | 83 | 170.5 | -52 | -16.7 | 0 | 0 | 0 | 115.1 | ||||
| 1378 | N | 34.3 | Very low | 43.5 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 65% | 0.647 | 72% | 0.716 | S | S | * | * | trans | 176.6 | 90.8 | 137.7 | -92.7 | -4.3 | 0 | 0 | 0 | 109.8 | S1380 | N1378-S1380 VanDerWaalsContact C-N 3.28Å; N1378-S1380 PolarHBondContact O-N 3.26Å | ||
| 1379 | H | 37.9 | Very low | 45.4 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 83% | 0.833 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 4.5 | -174.1 | -114.5 | -20.7 | 0 | 0 | 0 | 114.9 | ||
| 1380 | S | 47.2 | Very low | 47.6 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 54% | 0.538 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.5 | -34.7 | -175.2 | 162 | 0 | 0 | 0 | 0 | 113.5 | N1378 | N1378-S1380 VanDerWaalsContact C-N 3.28Å; N1378-S1380 PolarHBondContact O-N 3.26Å |
| 1381 | E | 46.8 | Very low | 50 | Low | 120 Ų | 120 | 131.5 Ų | 131.5 | 56% | 0.561 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -79.2 | -28.3 | -175.5 | -75.2 | 176.4 | 138.4 | 0 | 0 | 112.9 | Q1384 L1385 | E1381-Q1384 PolarHBondContact O-N 3.02Å; E1381-L1385 PolarHBondContact O-N 3.34Å; E1381-L1385 VanDerWaalsContact O-N 3.1Å |
| 1382 | T | 47.4 | Very low | 52.1 | Low | 91 Ų | 91 | 127.5 Ų | 127.5 | 56% | 0.558 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -72.6 | -32.6 | -180 | 26.6 | 0 | 0 | 0 | 0 | 113.1 | A1386 | T1382-A1386 WeakPolarHBondContact O-CB 3.45Å; T1382-A1386 PolarHBondContact O-N 2.7Å; T1382-A1386 VanDerWaalsContact O-N 3.16Å |
| 1383 | E | 63.2 | Low | 54.6 | Low | 150 Ų | 150 | 129 Ų | 129 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.8 | -36.7 | 173.2 | -80.8 | -171.5 | 149.1 | 0 | 0 | 112.5 | A1386 L1387 | E1383-A1386 PolarHBondContact O-N 3.15Å; E1383-L1387 WeakPolarHBondContact O-CB 3.49Å; E1383-L1387 PolarHBondContact O-N 2.96Å |
| 1384 | Q | 60.3 | Low | 57 | Low | 133 Ų | 133 | 129.5 Ų | 129.5 | 62% | 0.621 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -67.8 | -40.8 | 176.9 | -70.6 | -173.1 | 4.4 | 0 | 0 | 112.1 | E1381 L1387 L1388 | E1381-Q1384 PolarHBondContact O-N 3.02Å; Q1384-L1387 PolarHBondContact O-N 2.88Å; Q1384-L1388 WeakPolarHBondContact O-CB 3.28Å; Q1384-L1388 PolarHBondContact O-N 3.19Å |
| 1385 | L | 60.3 | Low | 59.2 | Low | 121 Ų | 121 | 125.6 Ų | 125.6 | 63% | 0.634 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.3 | -38.4 | 174.6 | -89.5 | 153.5 | 0 | 0 | 0 | 112.6 | E1381 L1388 S1389 | E1381-L1385 PolarHBondContact O-N 3.34Å; E1381-L1385 VanDerWaalsContact O-N 3.1Å; L1385-L1388 PolarHBondContact O-N 3.36Å; L1385-S1389 WeakPolarHBondContact O-CB 3.24Å; L1385-S1389 PolarHBondContact O-N 3.19Å |
| 1386 | A | 66.3 | Low | 61.3 | Low | 63 Ų | 63 | 123.3 Ų | 123.3 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.5 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1382 E1383 K1390 | T1382-A1386 WeakPolarHBondContact O-CB 3.45Å; T1382-A1386 PolarHBondContact O-N 2.7Å; T1382-A1386 VanDerWaalsContact O-N 3.16Å; E1383-A1386 PolarHBondContact O-N 3.15Å; A1386-K1390 WeakPolarHBondContact O-CB 3.41Å; A1386-K1390 PolarHBondContact O-N 2.84Å; A1386-K1390 VanDerWaalsContact O-N 3.13Å |
| 1387 | L | 71.7 | Confident | 63.6 | Low | 122 Ų | 122 | 118.8 Ų | 118.8 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.6 | -39.3 | 176.4 | -162.8 | 74.1 | 0 | 0 | 0 | 111.8 | E1383 Q1384 K1390 R1391 | E1383-L1387 WeakPolarHBondContact O-CB 3.49Å; E1383-L1387 PolarHBondContact O-N 2.96Å; Q1384-L1387 PolarHBondContact O-N 2.88Å; L1387-K1390 PolarHBondContact O-N 3.35Å; L1387-R1391 PolarHBondContact O-N 3.11Å; L1387-R1391 VanDerWaalsContact O-N 3.07Å |
| 1388 | L | 69.1 | Low | 65.7 | Low | 112 Ų | 112 | 117.2 Ų | 117.2 | 59% | 0.586 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.9 | -44.7 | 177.1 | -139.3 | 90.7 | 0 | 0 | 0 | 111.5 | Q1384 L1385 K1390 R1391 I1392 | Q1384-L1388 WeakPolarHBondContact O-CB 3.28Å; Q1384-L1388 PolarHBondContact O-N 3.19Å; L1385-L1388 PolarHBondContact O-N 3.36Å; L1388-K1390 VanDerWaalsContact C-N 3.33Å; L1388-K1390 PolarHBondContact O-N 2.61Å; L1388-R1391 WeakPolarHBondContact O-CB 3.14Å; L1388-R1391 PolarHBondContact O-N 2.88Å; L1388-R1391 VanDerWaalsContact O-N 3.15Å; L1388-I1392 WeakPolarHBondContact O-CG1 3.43Å; L1388-I1392 PolarHBondContact O-N 2.92Å |
| 1389 | S | 71.7 | Confident | 67.4 | Low | 80 Ų | 80 | 115.7 Ų | 115.7 | 56% | 0.559 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.1 | -38.5 | 177.8 | -169.2 | 0 | 0 | 0 | 0 | 112 | L1385 R1391 I1392 K1393 | L1385-S1389 WeakPolarHBondContact O-CB 3.24Å; L1385-S1389 PolarHBondContact O-N 3.19Å; S1389-R1391 VanDerWaalsContact C-N 3.34Å; S1389-R1391 PolarHBondContact O-N 2.97Å; S1389-I1392 PolarHBondContact O-N 3.32Å; S1389-K1393 PolarHBondContact O-N 3.1Å; S1389-K1393 VanDerWaalsContact O-N 3.09Å |
| 1390 | K | 79 | Confident | 69 | Low | 152 Ų | 152 | 110 Ų | 110 | 66% | 0.661 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.6 | -35.4 | 174.3 | -155 | 178.1 | -173.2 | -179.5 | 0 | 112.6 | A1386 L1387 L1388 Q1394 | A1386-K1390 WeakPolarHBondContact O-CB 3.41Å; A1386-K1390 PolarHBondContact O-N 2.84Å; A1386-K1390 VanDerWaalsContact O-N 3.13Å; L1387-K1390 PolarHBondContact O-N 3.35Å; L1388-K1390 VanDerWaalsContact C-N 3.33Å; L1388-K1390 PolarHBondContact O-N 2.61Å; K1390-Q1394 PolarHBondContact O-N 2.96Å |
| 1391 | R | 78.7 | Confident | 70.1 | Confident | 170 Ų | 170 | 111.1 Ų | 111.1 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -72 | -40 | 177.1 | -151.3 | 88.2 | 173.4 | -158 | 0.9 | 112 | L1387 L1388 S1389 Q1394 L1395 | L1387-R1391 PolarHBondContact O-N 3.11Å; L1387-R1391 VanDerWaalsContact O-N 3.07Å; L1388-R1391 WeakPolarHBondContact O-CB 3.14Å; L1388-R1391 PolarHBondContact O-N 2.88Å; L1388-R1391 VanDerWaalsContact O-N 3.15Å; S1389-R1391 VanDerWaalsContact C-N 3.34Å; S1389-R1391 PolarHBondContact O-N 2.97Å; R1391-Q1394 PolarHBondContact O-N 2.75Å; R1391-L1395 PolarHBondContact O-N 3.16Å; R1391-L1395 VanDerWaalsContact O-N 3.07Å |
| 1392 | I | 76.7 | Confident | 70.8 | Confident | 87 Ų | 87 | 111 Ų | 111 | 45% | 0.446 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.8 | -47 | 175.5 | -70 | 168.2 | 0 | 0 | 0 | 110 | L1388 S1389 Q1394 L1395 E1396 | L1388-I1392 WeakPolarHBondContact O-CG1 3.43Å; L1388-I1392 PolarHBondContact O-N 2.92Å; S1389-I1392 PolarHBondContact O-N 3.32Å; I1392-Q1394 VanDerWaalsContact C-N 3.34Å; I1392-Q1394 PolarHBondContact O-N 3.28Å; I1392-L1395 WeakPolarHBondContact O-CB 3.34Å; I1392-L1395 PolarHBondContact O-N 3.23Å; I1392-L1395 VanDerWaalsContact O-N 3.1Å; I1392-E1396 HydrophobicContact CG2-CG 4.44Å; I1392-E1396 WeakPolarHBondContact O-CG 3.43Å; I1392-E1396 PolarHBondContact O-N 3.13Å |
| 1393 | K | 80.4 | Confident | 71.3 | Confident | 136 Ų | 136 | 112.9 Ų | 112.9 | 59% | 0.591 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.8 | -37.6 | 178.3 | -160.4 | 171.5 | -174.5 | 174.1 | 0 | 113.1 | S1389 E1396 D1397 | S1389-K1393 PolarHBondContact O-N 3.1Å; S1389-K1393 VanDerWaalsContact O-N 3.09Å; K1393-E1396 PolarHBondContact O-N 3.27Å; K1393-D1397 PolarHBondContact O-N 3.38Å |
| 1394 | Q | 79.1 | Confident | 71 | Confident | 119 Ų | 119 | 113.6 Ų | 113.6 | 56% | 0.556 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.7 | -37.8 | 172.6 | -84.8 | -177 | -31.7 | 0 | 0 | 113 | K1390 R1391 I1392 Q1398 | K1390-Q1394 PolarHBondContact O-N 2.96Å; R1391-Q1394 PolarHBondContact O-N 2.75Å; I1392-Q1394 VanDerWaalsContact C-N 3.34Å; I1392-Q1394 PolarHBondContact O-N 3.28Å; Q1394-Q1398 WeakPolarHBondContact O-CB 3.46Å; Q1394-Q1398 WeakPolarHBondContact O-CG 3.5Å; Q1394-Q1398 PolarHBondContact O-N 3.45Å |
| 1395 | L | 76 | Confident | 70.8 | Confident | 93 Ų | 93 | 115.3 Ų | 115.3 | 49% | 0.487 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -70.8 | -40.1 | 176.8 | -79.4 | 162.4 | 0 | 0 | 0 | 111.8 | R1391 I1392 Q1398 I1399 | R1391-L1395 PolarHBondContact O-N 3.16Å; R1391-L1395 VanDerWaalsContact O-N 3.07Å; I1392-L1395 WeakPolarHBondContact O-CB 3.34Å; I1392-L1395 PolarHBondContact O-N 3.23Å; I1392-L1395 VanDerWaalsContact O-N 3.1Å; L1395-Q1398 PolarHBondContact O-N 3.43Å; L1395-I1399 WeakPolarHBondContact O-CB 3.49Å; L1395-I1399 VanDerWaalsContact O-CG1 3.25Å; L1395-I1399 WeakPolarHBondContact O-CG1 3.21Å; L1395-I1399 PolarHBondContact O-N 3.05Å |
| 1396 | E | 78.1 | Confident | 70.2 | Confident | 120 Ų | 120 | 118.7 Ų | 118.7 | 56% | 0.561 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.1 | -43.2 | 174.2 | -72.2 | 177.3 | 159.5 | 0 | 0 | 111.8 | I1392 K1393 I1399 S1400 | I1392-E1396 HydrophobicContact CG2-CG 4.44Å; I1392-E1396 WeakPolarHBondContact O-CG 3.43Å; I1392-E1396 PolarHBondContact O-N 3.13Å; K1393-E1396 PolarHBondContact O-N 3.27Å; E1396-I1399 PolarHBondContact O-N 3.11Å; E1396-S1400 WeakPolarHBondContact O-CB 3.43Å; E1396-S1400 PolarHBondContact O-N 3.32Å |
| 1397 | D | 78.4 | Confident | 69.1 | Low | 97 Ų | 97 | 122.7 Ų | 122.7 | 52% | 0.519 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65 | -40.9 | 175.3 | -77.9 | -21.2 | 0 | 0 | 0 | 111.9 | K1393 S1400 I1401 | K1393-D1397 PolarHBondContact O-N 3.38Å; D1397-S1400 PolarHBondContact O-N 3.31Å; D1397-I1401 VanDerWaalsContact O-CG1 3.29Å; D1397-I1401 WeakPolarHBondContact O-CG1 3.48Å; D1397-I1401 PolarHBondContact O-N 2.98Å |
| 1398 | Q | 76.4 | Confident | 67.8 | Low | 117 Ų | 117 | 122.8 Ų | 122.8 | 55% | 0.547 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.9 | -41.6 | 175.3 | -80 | -175.9 | -18.4 | 0 | 0 | 112.6 | Q1394 L1395 I1401 L1402 | Q1394-Q1398 WeakPolarHBondContact O-CB 3.46Å; Q1394-Q1398 WeakPolarHBondContact O-CG 3.5Å; Q1394-Q1398 PolarHBondContact O-N 3.45Å; L1395-Q1398 PolarHBondContact O-N 3.43Å; Q1398-I1401 PolarHBondContact O-N 2.98Å; Q1398-L1402 WeakPolarHBondContact O-CB 3.5Å; Q1398-L1402 WeakPolarHBondContact O-CG 3Å; Q1398-L1402 PolarHBondContact O-N 3.32Å |
| 1399 | I | 71.4 | Confident | 66.4 | Low | 89 Ų | 89 | 123.2 Ų | 123.2 | 46% | 0.456 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.8 | -40.1 | 176.5 | -69.9 | 167.5 | 0 | 0 | 0 | 110.4 | L1395 E1396 I1401 L1402 M1403 | L1395-I1399 WeakPolarHBondContact O-CB 3.49Å; L1395-I1399 VanDerWaalsContact O-CG1 3.25Å; L1395-I1399 WeakPolarHBondContact O-CG1 3.21Å; L1395-I1399 PolarHBondContact O-N 3.05Å; E1396-I1399 PolarHBondContact O-N 3.11Å; I1399-I1401 PolarHBondContact O-N 3.14Å; I1399-L1402 PolarHBondContact O-N 2.81Å; I1399-M1403 HydrophobicContact CG2-CE 3.92Å; I1399-M1403 HydrophobicContact CG2-CG 4.32Å; I1399-M1403 WeakPolarHBondContact O-CB 3.46Å; I1399-M1403 WeakPolarHBondContact O-CG 3.42Å; I1399-M1403 PolarHBondContact O-N 3.43Å |
| 1400 | S | 70.9 | Confident | 65.1 | Low | 60 Ų | 60 | 126.4 Ų | 126.4 | 42% | 0.42 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.2 | -40.6 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | E1396 D1397 K1404 | E1396-S1400 WeakPolarHBondContact O-CB 3.43Å; E1396-S1400 PolarHBondContact O-N 3.32Å; D1397-S1400 PolarHBondContact O-N 3.31Å; S1400-K1404 WeakPolarHBondContact O-CB 3.34Å; S1400-K1404 PolarHBondContact O-N 3.33Å |
| 1401 | I | 71 | Confident | 63.5 | Low | 102 Ų | 102 | 127.6 Ų | 127.6 | 52% | 0.523 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.9 | -41.6 | 175 | -67.7 | 165.5 | 0 | 0 | 0 | 111.2 | D1397 Q1398 I1399 K1404 K1405 | D1397-I1401 VanDerWaalsContact O-CG1 3.29Å; D1397-I1401 WeakPolarHBondContact O-CG1 3.48Å; D1397-I1401 PolarHBondContact O-N 2.98Å; Q1398-I1401 PolarHBondContact O-N 2.98Å; I1399-I1401 PolarHBondContact O-N 3.14Å; I1401-K1404 PolarHBondContact O-N 3.23Å; I1401-K1405 PolarHBondContact O-N 3.33Å |
| 1402 | L | 61.2 | Low | 61.4 | Low | 117 Ų | 117 | 130 Ų | 130 | 61% | 0.613 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68 | -37.6 | 177.9 | -75.9 | 166.5 | 0 | 0 | 0 | 112.4 | Q1398 I1399 K1405 K1406 | Q1398-L1402 WeakPolarHBondContact O-CB 3.5Å; Q1398-L1402 WeakPolarHBondContact O-CG 3Å; Q1398-L1402 PolarHBondContact O-N 3.32Å; I1399-L1402 PolarHBondContact O-N 2.81Å; L1402-K1405 PolarHBondContact O-N 3.48Å; L1402-K1406 PolarHBondContact O-N 3.01Å |
| 1403 | M | 57.6 | Low | 60.7 | Low | 130 Ų | 130 | 132.2 Ų | 132.2 | 64% | 0.64 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.1 | -33.7 | 174.3 | -71.7 | -151.8 | -171.6 | 0 | 0 | 112.4 | I1399 K1406 | I1399-M1403 HydrophobicContact CG2-CE 3.92Å; I1399-M1403 HydrophobicContact CG2-CG 4.32Å; I1399-M1403 WeakPolarHBondContact O-CB 3.46Å; I1399-M1403 WeakPolarHBondContact O-CG 3.42Å; I1399-M1403 PolarHBondContact O-N 3.43Å; M1403-K1406 PolarHBondContact O-N 3.16Å |
| 1404 | K | 56.8 | Low | 59.6 | Low | 165 Ų | 165 | 131.9 Ų | 131.9 | 72% | 0.717 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -71.1 | -29.8 | 172.7 | -81.7 | -177.7 | 176.8 | 178.5 | 0 | 113.5 | S1400 I1401 | S1400-K1404 WeakPolarHBondContact O-CB 3.34Å; S1400-K1404 PolarHBondContact O-N 3.33Å; I1401-K1404 PolarHBondContact O-N 3.23Å |
| 1405 | K | 55.6 | Low | 58.5 | Low | 170 Ų | 170 | 132.7 Ų | 132.7 | 74% | 0.739 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -77.4 | -15.2 | 175.5 | -83.7 | -171.4 | 171 | -170.4 | 0 | 114.4 | I1401 L1402 | I1401-K1405 PolarHBondContact O-N 3.33Å; L1402-K1405 PolarHBondContact O-N 3.48Å |
| 1406 | K | 47.7 | Very low | 57.5 | Low | 192 Ų | 192 | 135 Ų | 135 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 11.4 | -178.4 | -131.1 | 179 | -176.5 | -178.5 | 0 | 114.3 | L1402 M1403 | L1402-K1406 PolarHBondContact O-N 3.01Å; M1403-K1406 PolarHBondContact O-N 3.16Å |
| 1407 | L | 43.6 | Very low | 56.2 | Low | 146 Ų | 146 | 135.9 Ų | 135.9 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -119.8 | 13.5 | -173 | -89.1 | 162.8 | 0 | 0 | 0 | 114.7 | ||
| 1408 | D | 43.9 | Very low | 54.8 | Low | 124 Ų | 124 | 138.5 Ų | 138.5 | 66% | 0.663 | 71% | 0.711 | S | S | * | * | trans | -115.8 | 111.6 | 174.4 | -144 | -23.8 | 0 | 0 | 0 | 111.1 | N1410 | D1408-N1410 PolarHBondContact O-N 3.49Å; D1408-N1410 VanDerWaalsContact O-N 3.16Å | ||
| 1409 | P | 40.9 | Very low | 53.2 | Low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | 18 | -174.3 | -10.7 | 27.4 | 0 | 0 | 0 | 115.7 | ||
| 1410 | N | 44.5 | Very low | 51.8 | Low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | 16.3 | -162.5 | -95.8 | -12.8 | 0 | 0 | 0 | 118.2 | D1408 | D1408-N1410 PolarHBondContact O-N 3.49Å; D1408-N1410 VanDerWaalsContact O-N 3.16Å |
| 1411 | E | 45.2 | Very low | 50.2 | Low | 178 Ų | 178 | 151 Ų | 151 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -129.1 | 101.7 | 171.6 | -77.2 | -172 | 156.3 | 0 | 0 | 112.3 | ||||
| 1412 | T | 34.9 | Very low | 48.3 | Very low | 220 Ų | 220 | 155.5 Ų | 155.5 | 100% | 1.35 | 79% | 0.793 | S | S | * | * | trans | 46.4 | 0 | 160.3 | 49.1 | 0 | 0 | 0 | 0 | 120.8 |
Retrieved 1,412 of 1,412 residues in 712.4 ms
(Link to these results)