| 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 | 47.9 | Very low | 47.3 | Very low | 216 Ų | 216 | 141.9 Ų | 141.9 | 100% | 1.064 | 67% | 0.673 | S | S | * | * | 0 | -43.7 | 0 | -100.5 | 178.2 | -101.6 | 0 | 0 | 113.1 | R3 R4 F5 | M1-R3 PolarHBondContact O-N 3.31Å; M1-R4 PolarHBondContact O-N 2.91Å; M1-F5 PolarHBondContact O-N 2.54Å | |||
| 2 | A | 45.8 | Very low | 47.2 | Very low | 83 Ų | 83 | 139 Ų | 139 | 69% | 0.686 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -60.2 | -35 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R4 F5 W6 | A2-R4 PolarHBondContact O-N 2.78Å; A2-F5 PolarHBondContact O-N 2.95Å; A2-W6 PolarHBondContact O-N 3.16Å |
| 3 | R | 42.4 | Very low | 47 | Very low | 223 Ų | 223 | 137.2 Ų | 137.2 | 84% | 0.842 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -70.6 | -25.4 | 178.3 | -111.6 | -180 | 177.2 | -179.8 | -1.5 | 114.7 | M1 | M1-R3 PolarHBondContact O-N 3.31Å |
| 4 | R | 46.6 | Very low | 46.4 | Very low | 207 Ų | 207 | 136.9 Ų | 136.9 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -81 | -26.3 | 175.8 | -75.9 | -172.2 | 177.1 | -170.5 | -1.4 | 112.1 | M1 A2 L8 | M1-R4 PolarHBondContact O-N 2.91Å; A2-R4 PolarHBondContact O-N 2.78Å; R4-L8 PolarHBondContact O-N 3.2Å |
| 5 | F | 50.2 | Low | 45.9 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 66% | 0.658 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.6 | -35 | 176.2 | -127.6 | -93.8 | 0 | 0 | 0 | 112.3 | M1 A2 L8 L9 | M1-F5 PolarHBondContact O-N 2.54Å; A2-F5 PolarHBondContact O-N 2.95Å; F5-L8 PolarHBondContact O-N 3.32Å; F5-L9 HydrophobicContact CD1-CD1 3.98Å; F5-L9 HydrophobicContact CE1-CD1 4.29Å; F5-L9 PolarHBondContact O-N 2.91Å |
| 6 | W | 47.6 | Very low | 45.3 | Very low | 211 Ų | 211 | 135.3 Ų | 135.3 | 80% | 0.799 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.5 | -35.1 | 176.8 | -112.8 | 64.6 | 0 | 0 | 0 | 113.7 | A2 S10 | A2-W6 PolarHBondContact O-N 3.16Å; W6-S10 WeakPolarHBondContact O-CB 3.23Å; W6-S10 PolarHBondContact O-N 2.65Å |
| 7 | L | 47.7 | Very low | 44.6 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 58% | 0.576 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.4 | -29.7 | 174.5 | -89.8 | 150.7 | 0 | 0 | 0 | 112.9 | S10 N11 | L7-S10 PolarHBondContact O-OG 2.97Å; L7-N11 WeakPolarHBondContact O-CB 3.34Å; L7-N11 PolarHBondContact O-N 2.74Å; L7-N11 VanDerWaalsContact O-N 3.17Å; L7-N11 PolarHBondContact O-ND2 3.06Å |
| 8 | L | 50.3 | Low | 44 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 61% | 0.607 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.6 | -38.1 | 173.1 | -93.8 | 149.9 | 0 | 0 | 0 | 111.8 | R4 F5 L12 | R4-L8 PolarHBondContact O-N 3.2Å; F5-L8 PolarHBondContact O-N 3.32Å; L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 PolarHBondContact O-N 2.97Å |
| 9 | L | 49.7 | Very low | 43.3 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 51% | 0.508 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.2 | -39.1 | 173.1 | -108 | 102.6 | 0 | 0 | 0 | 112.6 | F5 L12 L13 | F5-L9 HydrophobicContact CD1-CD1 3.98Å; F5-L9 HydrophobicContact CE1-CD1 4.29Å; F5-L9 PolarHBondContact O-N 2.91Å; L9-L12 PolarHBondContact O-N 3.29Å; L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 PolarHBondContact O-N 2.91Å |
| 10 | S | 49.2 | Very low | 42.8 | Very low | 54 Ų | 54 | 127.2 Ų | 127.2 | 38% | 0.378 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -68.8 | -35.9 | 177.7 | 81.8 | 0 | 0 | 0 | 0 | 111.9 | W6 L7 F14 | W6-S10 WeakPolarHBondContact O-CB 3.23Å; W6-S10 PolarHBondContact O-N 2.65Å; L7-S10 PolarHBondContact O-OG 2.97Å; S10-F14 WeakPolarHBondContact O-CB 3.28Å; S10-F14 PolarHBondContact O-N 2.47Å |
| 11 | N | 43.4 | Very low | 42.6 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 50% | 0.503 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -74.2 | -31.4 | 174.1 | -81.3 | -22.6 | 0 | 0 | 0 | 112.8 | L7 F14 I15 | L7-N11 WeakPolarHBondContact O-CB 3.34Å; L7-N11 PolarHBondContact O-N 2.74Å; L7-N11 VanDerWaalsContact O-N 3.17Å; L7-N11 PolarHBondContact O-ND2 3.06Å; N11-F14 PolarHBondContact O-N 2.82Å; N11-I15 WeakPolarHBondContact O-CB 3.21Å; N11-I15 WeakPolarHBondContact O-CD1 3.05Å; N11-I15 WeakPolarHBondContact O-CG1 3.48Å; N11-I15 PolarHBondContact O-N 2.91Å |
| 12 | L | 45.3 | Very low | 42.2 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 56% | 0.56 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.2 | -38.5 | 171.8 | -126.9 | 86.5 | 0 | 0 | 0 | 111.6 | L8 L9 L16 | L8-L12 WeakPolarHBondContact O-CB 3.28Å; L8-L12 PolarHBondContact O-N 2.97Å; L9-L12 PolarHBondContact O-N 3.29Å; L12-L16 VanDerWaalsContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.35Å |
| 13 | L | 44.3 | Very low | 42 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 61% | 0.607 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.5 | -34.7 | 173.7 | -96.1 | 128.4 | 0 | 0 | 0 | 112.4 | L9 L16 S17 | L9-L13 WeakPolarHBondContact O-CB 3.23Å; L9-L13 PolarHBondContact O-N 2.91Å; L13-L16 PolarHBondContact O-N 3.03Å; L13-S17 WeakPolarHBondContact O-CB 3.21Å; L13-S17 PolarHBondContact O-N 3.24Å; L13-S17 PolarHBondContact O-OG 2.94Å |
| 14 | F | 38.8 | Very low | 42.1 | Very low | 133 Ų | 133 | 122.7 Ų | 122.7 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.4 | -35.2 | 173.7 | -121.7 | -96.2 | 0 | 0 | 0 | 112.9 | S10 N11 S17 F18 | S10-F14 WeakPolarHBondContact O-CB 3.28Å; S10-F14 PolarHBondContact O-N 2.47Å; N11-F14 PolarHBondContact O-N 2.82Å; F14-S17 WeakPolarHBondContact CA-OG 3.41Å; F14-S17 PolarHBondContact O-OG 2.71Å; F14-S17 VanDerWaalsContact O-OG 3.09Å; F14-F18 HydrophobicContact CD1-CD2 4.04Å; F14-F18 HydrophobicContact CD1-CE2 4.02Å; F14-F18 HydrophobicContact CE1-CD2 4.3Å; F14-F18 AromaticContact CE1-CE2 3.79Å; F14-F18 HydrophobicContact CE1-CE2 3.79Å; F14-F18 PolarHBondContact O-N 3.31Å |
| 15 | I | 38.9 | Very low | 42.8 | Very low | 124 Ų | 124 | 115.9 Ų | 115.9 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76 | -29.8 | 175.4 | -66.9 | 167 | 0 | 0 | 0 | 111.1 | N11 G19 | N11-I15 WeakPolarHBondContact O-CB 3.21Å; N11-I15 WeakPolarHBondContact O-CD1 3.05Å; N11-I15 WeakPolarHBondContact O-CG1 3.48Å; N11-I15 PolarHBondContact O-N 2.91Å; I15-G19 PolarHBondContact O-N 2.81Å |
| 16 | L | 36.4 | Very low | 44.5 | Very low | 124 Ų | 124 | 112.8 Ų | 112.8 | 65% | 0.649 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -78.1 | -21.7 | 172.8 | -76.4 | 163 | 0 | 0 | 0 | 113.3 | L12 L13 | L12-L16 VanDerWaalsContact O-CB 3.28Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 WeakPolarHBondContact O-CD1 3.39Å; L12-L16 VanDerWaalsContact O-CG 3.26Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 3.35Å; L13-L16 PolarHBondContact O-N 3.03Å |
| 17 | S | 33.8 | Very low | 46.6 | Very low | 76 Ų | 76 | 108.7 Ų | 108.7 | 53% | 0.531 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -89.1 | -14.8 | 174.3 | 58.2 | 0 | 0 | 0 | 0 | 114.2 | L13 F14 | L13-S17 WeakPolarHBondContact O-CB 3.21Å; L13-S17 PolarHBondContact O-N 3.24Å; L13-S17 PolarHBondContact O-OG 2.94Å; F14-S17 WeakPolarHBondContact CA-OG 3.41Å; F14-S17 PolarHBondContact O-OG 2.71Å; F14-S17 VanDerWaalsContact O-OG 3.09Å |
| 18 | F | 32.9 | Very low | 48.7 | Very low | 148 Ų | 148 | 105 Ų | 105 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -103.2 | 5.6 | 169.8 | -86.7 | -81.7 | 0 | 0 | 0 | 113.3 | F14 | F14-F18 HydrophobicContact CD1-CD2 4.04Å; F14-F18 HydrophobicContact CD1-CE2 4.02Å; F14-F18 HydrophobicContact CE1-CD2 4.3Å; F14-F18 AromaticContact CE1-CE2 3.79Å; F14-F18 HydrophobicContact CE1-CE2 3.79Å; F14-F18 PolarHBondContact O-N 3.31Å |
| 19 | G | 31.8 | Very low | 50.8 | Low | 66 Ų | 66 | 103.5 Ų | 103.5 | 68% | 0.68 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -101.4 | 10.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I15 | I15-G19 PolarHBondContact O-N 2.81Š|
| 20 | A | 33.1 | Very low | 53 | Low | 88 Ų | 88 | 100.1 Ų | 100.1 | 73% | 0.727 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -123.5 | 20.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 21 | E | 39.1 | Very low | 55.4 | Low | 175 Ų | 175 | 100 Ų | 100 | 82% | 0.818 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -106.2 | 117.8 | 161.9 | -82.4 | -178.9 | 162.1 | 0 | 0 | 108.5 | ||
| 22 | G | 39.3 | Very low | 58 | Low | 69 Ų | 69 | 95.6 Ų | 95.6 | 71% | 0.711 | 52% | 0.522 | S | S | * | . | trans | 101.2 | 57.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y24 | G22-Y24 PolarHBondContact O-N 2.75Å; G22-Y24 VanDerWaalsContact O-N 3.08Å | ||
| 23 | A | 40.4 | Very low | 60.5 | Low | 87 Ų | 87 | 90.5 Ų | 90.5 | 72% | 0.719 | 50% | 0.496 | S | S | * | . | trans | -63.9 | 108 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | S25 | A23-S25 PolarHBondContact O-N 3.05Å; A23-S25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | Y | 46.3 | Very low | 63.1 | Low | 225 Ų | 225 | 85 Ų | 85 | 88% | 0.882 | 47% | 0.467 | S | S | * | . | trans | -20 | 102.2 | -178.7 | -66 | -90.5 | 0 | 0 | 0 | 115.4 | G22 R26 | G22-Y24 PolarHBondContact O-N 2.75Å; G22-Y24 VanDerWaalsContact O-N 3.08Å; Y24-R26 PolarHBondContact O-N 2.78Å | ||
| 25 | S | 60.6 | Low | 65.9 | Low | 64 Ų | 64 | 80.1 Ų | 80.1 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -67 | 124.3 | 161.4 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | A23 D110 V112 | A23-S25 PolarHBondContact O-N 3.05Å; A23-S25 VanDerWaalsContact O-N 3.13Å; S25-D110 WeakPolarHBondContact CA-O 3.32Å; S25-D110 WeakPolarHBondContact CB-O 3.5Å; S25-D110 PolarHBondContact OG-O 3.39Å; S25-V112 VanDerWaalsContact OG-CG2 3.25Å; S25-V112 WeakPolarHBondContact OG-CG2 3.4Å |
| 26 | R | 85.3 | Confident | 68.8 | Low | 84 Ų | 84 | 76.7 Ų | 76.7 | 32% | 0.317 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 119.9 | 179.3 | 178.5 | -171.7 | -172.5 | 146.2 | 19.1 | 108.6 | Y24 D111 V112 N215 | Y24-R26 PolarHBondContact O-N 2.78Å; R26-D111 WeakPolarHBondContact CB-OD1 3.31Å; R26-D111 WeakPolarHBondContact O-CA 3.28Å; R26-V112 PolarHBondContact O-N 3.23Å; R26-N215 PolarHBondContact NH1-OD1 3.05Å |
| 27 | E | 91.4 | Very high | 71.6 | Confident | 126 Ų | 126 | 75 Ų | 75 | 59% | 0.589 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 132 | 172.3 | -65.2 | -177.9 | 168.5 | 0 | 0 | 110.4 | V112 | E27-V112 CarbonylContact C-O 3.53Å; E27-V112 WeakPolarHBondContact CA-O 3.24Å |
| 28 | R | 91.9 | Very high | 74.6 | Confident | 33 Ų | 33 | 75 Ų | 75 | 13% | 0.125 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 108.8 | 172.6 | -62 | -173.4 | -178.2 | -100 | -1.6 | 108.1 | Y30 R106 D111 V112 I113 I114 | R28-Y30 HydrophobicContact CB-CE2 3.83Å; R28-R106 WeakPolarHBondContact CD-O 3.33Å; R28-D111 IonicContact CZ-OD2 3.75Å; R28-D111 IonicContact NE-OD2 3.24Å; R28-D111 PolarHBondContact NE-OD2 3.42Å; R28-D111 IonicContact NH2-OD2 2.78Å; R28-D111 PolarHBondContact NH2-OD2 2.79Å; R28-V112 PolarHBondContact N-O 2.85Å; R28-I113 WeakPolarHBondContact O-CA 3.12Å; R28-I114 PolarHBondContact O-N 3.21Å |
| 29 | I | 95.2 | Very high | 77.7 | Confident | 84 Ų | 84 | 69 Ų | 69 | 43% | 0.431 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.9 | -173.5 | -55.9 | 172.2 | 0 | 0 | 0 | 108.8 | Y31 I114 | I29-Y31 HydrophobicContact CG2-CD2 4.46Å; I29-Y31 HydrophobicContact CG2-CE1 4.45Å; I29-Y31 HydrophobicContact CG2-CE2 3.78Å; I29-I114 CarbonylContact C-O 3.59Å; I29-I114 WeakPolarHBondContact CA-O 3.4Å; I29-I114 HydrophobicContact CG1-CB 4.31Å |
| 30 | Y | 96.6 | Very high | 80.9 | Confident | 26 Ų | 26 | 67.4 Ų | 67.4 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 138.5 | 174.8 | -61.5 | -92.7 | 0 | 0 | 0 | 109.6 | R28 L105 R106 I113 I114 H116 | R28-Y30 HydrophobicContact CB-CE2 3.83Å; Y30-L105 HydrophobicContact CD1-CD2 3.47Å; Y30-L105 VanDerWaalsContact CD1-CD2 3.47Å; Y30-L105 HydrophobicContact CD2-CD2 3.88Å; Y30-L105 HydrophobicContact CE1-CD2 3.64Å; Y30-L105 HydrophobicContact CE2-CD2 4.04Å; Y30-L105 HydrophobicContact CG-CD2 3.59Å; Y30-R106 PolarHBondContact OH-N 2.82Å; Y30-R106 VanDerWaalsContact OH-N 3.15Å; Y30-R106 PolarHBondContact OH-O 2.83Å; Y30-R106 VanDerWaalsContact OH-O 3.12Å; Y30-I113 HydrophobicContact CD2-CG2 3.86Å; Y30-I113 HydrophobicContact CE2-CG2 3.96Å; Y30-I114 PolarHBondContact N-O 2.95Å; Y30-H116 PolarHBondContact O-N 2.85Å |
| 31 | Y | 98.1 | Very high | 84 | Confident | 52 Ų | 52 | 63.2 Ų | 63.2 | 20% | 0.204 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 108.2 | 173.2 | -61.6 | -83.6 | 0 | 0 | 0 | 107.9 | I29 E82 Y83 D85 A86 H116 | I29-Y31 HydrophobicContact CG2-CD2 4.46Å; I29-Y31 HydrophobicContact CG2-CE1 4.45Å; I29-Y31 HydrophobicContact CG2-CE2 3.78Å; Y31-E82 CarbonylContact O-C 3.6Å; Y31-E82 WeakPolarHBondContact O-CA 3.22Å; Y31-Y83 PolarHBondContact O-N 2.87Å; Y31-D85 VanDerWaalsContact CD2-CA 3.44Å; Y31-D85 VanDerWaalsContact CG-C 3.45Å; Y31-A86 VanDerWaalsContact CD1-CA 3.48Å; Y31-A86 HydrophobicContact CD1-CB 3.98Å; Y31-A86 VanDerWaalsContact CE1-CA 3.46Å; Y31-A86 HydrophobicContact CE1-CB 3.43Å; Y31-A86 VanDerWaalsContact CE1-CB 3.43Å; Y31-H116 HydrophobicContact CD1-CB 3.63Å; Y31-H116 AromaticContact CD1-CD2 3.71Å; Y31-H116 AromaticContact CD1-CG 3.96Å; Y31-H116 HydrophobicContact CE1-CB 3.97Å; Y31-H116 AromaticContact CE1-CD2 3.22Å; Y31-H116 WeakPolarHBondContact CE1-CD2 3.31Å; Y31-H116 AromaticContact CE1-CG 3.77Å; Y31-H116 AromaticContact CZ-CD2 3.79Å |
| 32 | I | 98.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.8 | -173.7 | -56 | -178.7 | 0 | 0 | 0 | 108.8 | Y80 R81 P103 L105 I115 H116 L117 K118 I127 | I32-Y80 HydrophobicContact CG2-CD1 3.65Å; I32-Y80 HydrophobicContact CG2-CG 4.21Å; I32-R81 CarbonylContact C-O 3.57Å; I32-R81 WeakPolarHBondContact CA-O 3.34Å; I32-P103 HydrophobicContact CD1-CG 3.94Å; I32-P103 HydrophobicContact CG1-CG 4.12Å; I32-L105 HydrophobicContact CD1-CD2 4.17Å; I32-I115 HydrophobicContact CB-CG2 4.26Å; I32-I115 HydrophobicContact CD1-CD1 4.23Å; I32-I115 HydrophobicContact CD1-CG2 3.75Å; I32-I115 HydrophobicContact CG1-CG2 4.03Å; I32-H116 PolarHBondContact N-O 3.49Å; I32-L117 HydrophobicContact CB-CD1 4.17Å; I32-L117 HydrophobicContact CG2-CD1 4.05Å; I32-L117 CarbonylContact O-C 3.58Å; I32-L117 VanDerWaalsContact O-CA 3.31Å; I32-L117 WeakPolarHBondContact O-CA 3.28Å; I32-K118 PolarHBondContact O-N 2.93Å; I32-I127 HydrophobicContact CD1-CD1 4.25Å |
| 33 | G | 98.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | R81 K118 | G33-R81 PolarHBondContact N-O 3.18Å; G33-R81 PolarHBondContact O-N 3.32Å; G33-K118 CarbonylContact C-O 3.57Å; G33-K118 VanDerWaalsContact CA-O 3.26Å; G33-K118 WeakPolarHBondContact CA-O 3.42Å |
| 34 | I | 98.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.9 | 164.4 | -63.1 | 167 | 0 | 0 | 0 | 107.3 | A78 Y80 L117 K118 F120 A121 Y125 L201 | I34-A78 HydrophobicContact CG2-CB 4.44Å; I34-Y80 HydrophobicContact CD1-CD1 4.44Å; I34-Y80 HydrophobicContact CD1-CE1 3.83Å; I34-Y80 HydrophobicContact CG1-CD1 3.67Å; I34-Y80 HydrophobicContact CG1-CE1 3.56Å; I34-L117 HydrophobicContact CD1-CD1 4.02Å; I34-L117 HydrophobicContact CD1-CD2 4.12Å; I34-L117 HydrophobicContact CD1-CG 4.38Å; I34-L117 HydrophobicContact CG1-CD1 3.97Å; I34-K118 PolarHBondContact N-O 3.28Å; I34-F120 CarbonylContact O-C 3.49Å; I34-F120 WeakPolarHBondContact O-CA 3.42Å; I34-F120 VanDerWaalsContact O-CB 3.25Å; I34-F120 WeakPolarHBondContact O-CB 3.39Å; I34-F120 PolarHBondContact O-N 2.89Å; I34-A121 HydrophobicContact CG2-CB 3.97Å; I34-A121 PolarHBondContact O-N 2.95Å; I34-Y125 HydrophobicContact CD1-CD2 4.5Å; I34-Y125 HydrophobicContact CD1-CG 4.41Å; I34-Y125 HydrophobicContact CG2-CD2 3.78Å; I34-Y125 HydrophobicContact CG2-CE2 4.22Å; I34-L201 HydrophobicContact CG1-CD2 4.29Å; I34-L201 HydrophobicContact CG2-CD1 4.32Å; I34-L201 HydrophobicContact CG2-CD2 3.8Å |
| 35 | I | 97.8 | Very high | 94.4 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 16% | 0.159 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 153.7 | 179.9 | 66.7 | 164.3 | 0 | 0 | 0 | 110.8 | A78 M79 R81 F120 | I35-A78 CarbonylContact O-C 3.57Å; I35-A78 WeakPolarHBondContact O-CA 3.35Å; I35-M79 PolarHBondContact N-O 3.4Å; I35-M79 PolarHBondContact O-N 3.3Å; I35-R81 HydrophobicContact CD1-CG 3.57Å; I35-R81 HydrophobicContact CG1-CG 3.76Å; I35-F120 HydrophobicContact CG2-CB 4.37Å; I35-F120 HydrophobicContact CG2-CD2 4.14Å |
| 36 | E | 98.2 | Very high | 96 | Very high | 53 Ų | 53 | 50.5 Ų | 50.5 | 25% | 0.248 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.4 | 168.4 | -69 | 175 | -167.3 | 0 | 0 | 109.3 | K76 K77 A121 N122 Y246 | E36-K76 WeakPolarHBondContact OE2-CE 3.42Å; E36-K76 IonicContact OE2-NZ 3.62Å; E36-K76 PolarHBondContact OE2-NZ 2.7Å; E36-K77 VanDerWaalsContact CA-O 3.3Å; E36-K77 WeakPolarHBondContact CA-O 3.23Å; E36-A121 HydrophobicContact CG-CB 3.85Å; E36-A121 WeakPolarHBondContact OE1-CB 3.44Å; E36-N122 PolarHBondContact OE1-N 2.84Å; E36-N122 PolarHBondContact OE1-ND2 2.83Å; E36-N122 PolarHBondContact OE1-OD1 2.66Å; E36-Y246 VanDerWaalsContact CD-OH 3.24Å; E36-Y246 HydrophobicContact CG-CE1 4.17Å; E36-Y246 VanDerWaalsContact CG-OH 3.26Å; E36-Y246 WeakPolarHBondContact CG-OH 3.4Å; E36-Y246 WeakPolarHBondContact OE1-CE1 3.38Å; E36-Y246 PolarHBondContact OE1-OH 2.88Å |
| 37 | D | 96.1 | Very high | 96.5 | Very high | 89 Ų | 89 | 47 Ų | 47 | 48% | 0.476 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 165.9 | 176.2 | -157.1 | 1.5 | 0 | 0 | 0 | 110.8 | K77 M79 | D37-K77 PolarHBondContact N-O 2.93Å; D37-K77 PolarHBondContact O-N 2.65Å; D37-M79 HydrophobicContact CB-CE 3.56Å |
| 38 | D | 97.4 | Very high | 96.7 | Very high | 75 Ų | 75 | 43.9 Ų | 43.9 | 40% | 0.401 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.3 | 175.4 | -75.4 | -0.3 | 0 | 0 | 0 | 110.4 | T74 R253 | D38-T74 HydrophobicContact CB-CG2 4.05Å; D38-R253 IonicContact OD1-CZ 3.76Å; D38-R253 IonicContact OD1-NH1 2.77Å; D38-R253 IonicContact OD1-NH2 3.67Å; D38-R253 PolarHBondContact OD1-NH2 3.14Å; D38-R253 IonicContact OD2-CZ 3.49Å; D38-R253 VanDerWaalsContact OD2-CZ 3.26Å; D38-R253 IonicContact OD2-NH1 3.99Å; D38-R253 PolarHBondContact OD2-NH1 3.49Å; D38-R253 IonicContact OD2-NH2 3.63Å; D38-R253 PolarHBondContact OD2-NH2 3.32Å |
| 39 | W | 97.9 | Very high | 96.8 | Very high | 22 Ų | 22 | 43 Ų | 43 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127 | 176.2 | -179.9 | -103.4 | 0 | 0 | 0 | 110.7 | Y41 T74 Y75 K77 M79 G99 F100 G278 Y279 | W39-Y41 AromaticContact CD1-CD2 3.9Å; W39-Y41 AromaticContact CD1-CE1 3.95Å; W39-Y41 AromaticContact CD1-CE2 3.76Å; W39-Y41 AromaticContact CD1-CZ 3.78Å; W39-Y41 AromaticContact NE1-CD1 3.75Å; W39-Y41 AromaticContact NE1-CE1 3.84Å; W39-Y41 AromaticContact NE1-CG 3.97Å; W39-T74 CarbonylContact O-C 3.5Å; W39-T74 VanDerWaalsContact O-CA 3.28Å; W39-T74 WeakPolarHBondContact O-CA 3.44Å; W39-Y75 PolarHBondContact N-O 2.83Å; W39-Y75 PolarHBondContact O-N 3.45Å; W39-K77 HydrophobicContact CB-CB 4.37Å; W39-K77 HydrophobicContact CB-CD 3.51Å; W39-K77 HydrophobicContact CB-CG 3.87Å; W39-K77 HydrophobicContact CG-CD 3.79Å; W39-M79 HydrophobicContact CE3-SD 4.34Å; W39-G99 VanDerWaalsContact CH2-CA 3.49Å; W39-F100 HydrophobicContact CD2-CB 3.93Å; W39-F100 HydrophobicContact CD2-CD1 4.23Å; W39-F100 AromaticContact CE2-CD1 3.81Å; W39-F100 HydrophobicContact CE3-CB 3.92Å; W39-F100 HydrophobicContact CG-CD1 4.42Å; W39-F100 HydrophobicContact CH2-CB 4.3Å; W39-F100 VanDerWaalsContact CH2-N 3.34Å; W39-F100 HydrophobicContact CZ2-CB 4.3Å; W39-F100 HydrophobicContact CZ2-CD1 4.22Å; W39-F100 HydrophobicContact CZ3-CB 4.11Å; W39-F100 AromaticContact NE1-CD1 3.74Å; W39-G278 VanDerWaalsContact CE2-O 3.31Å; W39-G278 WeakPolarHBondContact CZ2-O 3.41Å; W39-G278 PolarHBondContact NE1-O 2.89Å; W39-Y279 HydrophobicContact CH2-CD2 4.44Å; W39-Y279 AromaticContact CH2-CE1 3.84Å; W39-Y279 HydrophobicContact CH2-CE1 3.84Å; W39-Y279 AromaticContact CH2-CE2 3.7Å; W39-Y279 HydrophobicContact CH2-CE2 3.7Å; W39-Y279 AromaticContact CH2-CZ 3.34Å; W39-Y279 VanDerWaalsContact CH2-OH 3.28Å; W39-Y279 WeakPolarHBondContact CH2-OH 3.27Å; W39-Y279 HydrophobicContact CZ2-CD1 4.14Å; W39-Y279 HydrophobicContact CZ2-CD2 4.15Å; W39-Y279 AromaticContact CZ2-CE1 3.76Å; W39-Y279 HydrophobicContact CZ2-CE1 3.76Å; W39-Y279 AromaticContact CZ2-CE2 3.85Å; W39-Y279 HydrophobicContact CZ2-CE2 3.85Å; W39-Y279 HydrophobicContact CZ2-CG 4.34Å; W39-Y279 AromaticContact CZ2-CZ 3.64Å |
| 40 | S | 97.6 | Very high | 96.7 | Very high | 33 Ų | 33 | 41.9 Ų | 41.9 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 120.3 | 173.7 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | A42 S73 | S40-A42 VanDerWaalsContact C-N 3.3Å; S40-S73 WeakPolarHBondContact CA-O 3.47Å |
| 41 | Y | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -71.7 | -24.8 | 178.1 | -71.8 | -86.9 | 0 | 0 | 0 | 112.9 | W39 S73 Y75 K77 F100 V239 E241 M273 A275 G278 Y279 T280 | W39-Y41 AromaticContact CD1-CD2 3.9Å; W39-Y41 AromaticContact CD1-CE1 3.95Å; W39-Y41 AromaticContact CD1-CE2 3.76Å; W39-Y41 AromaticContact CD1-CZ 3.78Å; W39-Y41 AromaticContact NE1-CD1 3.75Å; W39-Y41 AromaticContact NE1-CE1 3.84Å; W39-Y41 AromaticContact NE1-CG 3.97Å; Y41-S73 PolarHBondContact N-O 3.17Å; Y41-Y75 AromaticContact CD2-CD2 3.91Å; Y41-Y75 HydrophobicContact CD2-CD2 3.91Å; Y41-Y75 HydrophobicContact CD2-CE2 4.36Å; Y41-Y75 AromaticContact CE2-CD2 3.62Å; Y41-Y75 HydrophobicContact CE2-CD2 3.62Å; Y41-Y75 HydrophobicContact CE2-CE2 4.26Å; Y41-Y75 HydrophobicContact CE2-CG 4.26Å; Y41-K77 PolarHBondContact OH-NZ 2.74Å; Y41-K77 VanDerWaalsContact OH-NZ 3.08Å; Y41-F100 HydrophobicContact CE1-CE1 4.49Å; Y41-V239 HydrophobicContact CE1-CB 4.29Å; Y41-V239 HydrophobicContact CE1-CG2 4.45Å; Y41-V239 VanDerWaalsContact OH-CG1 3.23Å; Y41-V239 WeakPolarHBondContact OH-CG1 3.24Å; Y41-E241 PolarHBondContact OH-OE1 3.31Å; Y41-M273 HydrophobicContact CD1-CB 3.71Å; Y41-M273 HydrophobicContact CD1-CG 4.05Å; Y41-M273 HydrophobicContact CD1-SD 4.3Å; Y41-M273 HydrophobicContact CD2-CB 4.39Å; Y41-M273 HydrophobicContact CD2-CG 3.8Å; Y41-M273 HydrophobicContact CD2-SD 3.71Å; Y41-M273 HydrophobicContact CE1-CB 3.48Å; Y41-M273 VanDerWaalsContact CE1-CB 3.48Å; Y41-M273 HydrophobicContact CE1-CG 3.9Å; Y41-M273 HydrophobicContact CE2-CB 4.17Å; Y41-M273 HydrophobicContact CE2-CG 3.62Å; Y41-M273 HydrophobicContact CE2-SD 4.15Å; Y41-M273 HydrophobicContact CG-CB 4.19Å; Y41-M273 HydrophobicContact CG-CG 4.03Å; Y41-M273 HydrophobicContact CG-SD 3.81Å; Y41-A275 HydrophobicContact CD1-CB 4.16Å; Y41-A275 HydrophobicContact CE1-CB 4.28Å; Y41-G278 WeakPolarHBondContact CA-O 3.45Å; Y41-G278 WeakPolarHBondContact CD1-O 3.47Å; Y41-Y279 WeakPolarHBondContact O-CA 3.3Å; Y41-T280 HydrophobicContact CD1-CG2 4.36Å; Y41-T280 PolarHBondContact O-N 3.29Å; Y41-T280 VanDerWaalsContact O-N 3.09Å |
| 42 | A | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -137.6 | 71 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S40 S44 E45 I54 L64 | S40-A42 VanDerWaalsContact C-N 3.3Å; A42-S44 PolarHBondContact O-N 2.96Å; A42-S44 VanDerWaalsContact O-N 3.08Å; A42-E45 PolarHBondContact O-N 2.76Å; A42-I54 HydrophobicContact CB-CD1 4.13Å; A42-L64 HydrophobicContact CB-CD1 3.49Å; A42-L64 VanDerWaalsContact CB-CD1 3.49Å; A42-L64 HydrophobicContact CB-CD2 4.03Å; A42-L64 HydrophobicContact CB-CG 4.34Å | ||
| 43 | P | 96.6 | Very high | 96.1 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.7 | -174.9 | 27.4 | -38.2 | 0 | 0 | 0 | 114.4 | E45 Y279 | P43-E45 VanDerWaalsContact C-N 3.29Å; P43-Y279 HydrophobicContact CG-CD1 4.34Å; P43-Y279 HydrophobicContact CG-CE1 3.91Å |
| 44 | S | 95.2 | Very high | 95.9 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 30% | 0.301 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -10.2 | 175.6 | 72.8 | 0 | 0 | 0 | 0 | 114.1 | A42 K46 N283 | A42-S44 PolarHBondContact O-N 2.96Å; A42-S44 VanDerWaalsContact O-N 3.08Å; S44-K46 PolarHBondContact O-N 2.9Å; S44-K46 PolarHBondContact OG-N 2.81Å; S44-K46 PolarHBondContact OG-O 2.87Å; S44-N283 VanDerWaalsContact CB-OD1 3.22Å; S44-N283 WeakPolarHBondContact CB-OD1 3.48Å; S44-N283 PolarHBondContact N-OD1 3.18Å; S44-N283 PolarHBondContact OG-OD1 3.18Å |
| 45 | E | 94.7 | Very high | 95.6 | Very high | 148 Ų | 148 | 51.5 Ų | 51.5 | 69% | 0.692 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 58.2 | 20.5 | -171.7 | -57.1 | 179 | 171 | 0 | 0 | 113.7 | A42 P43 I54 | A42-E45 PolarHBondContact O-N 2.76Å; P43-E45 VanDerWaalsContact C-N 3.29Å; E45-I54 WeakPolarHBondContact O-CG1 3.37Å; E45-I54 PolarHBondContact O-N 2.94Å |
| 46 | K | 95.4 | Very high | 95.4 | Very high | 87 Ų | 87 | 55.4 Ų | 55.4 | 38% | 0.378 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -136.8 | 152.9 | -176.1 | -65.6 | -175.3 | 179.8 | -164.8 | 0 | 112 | S44 L48 Q52 N53 N283 | S44-K46 PolarHBondContact O-N 2.9Å; S44-K46 PolarHBondContact OG-N 2.81Å; S44-K46 PolarHBondContact OG-O 2.87Å; K46-L48 HydrophobicContact CB-CD2 4.1Å; K46-L48 PolarHBondContact O-N 3.43Å; K46-Q52 WeakPolarHBondContact CA-O 3.48Å; K46-Q52 WeakPolarHBondContact CB-O 3.49Å; K46-N53 WeakPolarHBondContact CE-OD1 3.34Å; K46-N283 PolarHBondContact O-ND2 2.97Å |
| 47 | N | 96 | Very high | 95.3 | Very high | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.053 | 30% | 0.3 | C | S | . | . | trans | -78.5 | 106.6 | 159.3 | -177.3 | -8.5 | 0 | 0 | 0 | 108.2 | L49 N50 G51 Q52 D57 A60 F281 | N47-L49 PolarHBondContact O-N 2.87Å; N47-L49 WeakPolarHBondContact OD1-CB 3.43Å; N47-L49 WeakPolarHBondContact OD1-CG 3.44Å; N47-L49 PolarHBondContact OD1-N 3.43Å; N47-N50 WeakPolarHBondContact CB-OD1 3.3Å; N47-N50 PolarHBondContact ND2-ND2 2.99Å; N47-N50 PolarHBondContact O-OD1 2.84Å; N47-G51 WeakPolarHBondContact O-CA 3.43Å; N47-G51 PolarHBondContact O-N 2.82Å; N47-Q52 PolarHBondContact N-O 2.78Å; N47-D57 PolarHBondContact ND2-OD2 2.78Å; N47-A60 HydrophobicContact CB-CB 4.46Å; N47-F281 HydrophobicContact CB-CB 4.29Å; N47-F281 HydrophobicContact CB-CD1 4.44Å | ||
| 48 | L | 95.6 | Very high | 95.1 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -3.8 | -177.3 | -63.2 | -174.6 | 0 | 0 | 0 | 113.1 | K46 F281 F365 | K46-L48 HydrophobicContact CB-CD2 4.1Å; K46-L48 PolarHBondContact O-N 3.43Å; L48-F281 PolarHBondContact N-O 3.01Å; L48-F365 HydrophobicContact CB-CE2 4.29Å |
| 49 | L | 93.6 | Very high | 94.9 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -33.5 | 177.9 | -54.4 | 164.7 | 0 | 0 | 0 | 112 | N47 L349 Q363 F365 Y501 E502 | N47-L49 PolarHBondContact O-N 2.87Å; N47-L49 WeakPolarHBondContact OD1-CB 3.43Å; N47-L49 WeakPolarHBondContact OD1-CG 3.44Å; N47-L49 PolarHBondContact OD1-N 3.43Å; L49-L349 HydrophobicContact CD2-CD1 3.77Å; L49-Q363 HydrophobicContact CD1-CB 3.98Å; L49-Q363 HydrophobicContact CD1-CG 4.28Å; L49-Q363 HydrophobicContact CD2-CB 3.85Å; L49-F365 HydrophobicContact CD2-CE1 4.36Å; L49-F365 HydrophobicContact CD2-CE2 4.11Å; L49-F365 HydrophobicContact CD2-CZ 3.75Å; L49-Y501 CarbonylContact O-C 3.58Å; L49-Y501 WeakPolarHBondContact O-CA 3.24Å; L49-E502 WeakPolarHBondContact O-CG 3.39Å; L49-E502 PolarHBondContact O-N 2.95Å |
| 50 | N | 92.5 | Very high | 94.8 | Very high | 61 Ų | 61 | 55.8 Ų | 55.8 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -4.8 | -179.8 | 65.3 | 13 | 0 | 0 | 0 | 113.5 | N47 Q52 D57 | N47-N50 WeakPolarHBondContact CB-OD1 3.3Å; N47-N50 PolarHBondContact ND2-ND2 2.99Å; N47-N50 PolarHBondContact O-OD1 2.84Å; N50-Q52 VanDerWaalsContact C-N 3.29Å; N50-Q52 PolarHBondContact O-N 2.68Å; N50-Q52 WeakPolarHBondContact OD1-CB 3.15Å; N50-Q52 PolarHBondContact OD1-N 2.92Å; N50-D57 PolarHBondContact ND2-OD2 2.79Å |
| 51 | G | 91.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 42% | 0.423 | 31% | 0.306 | S | S | . | . | trans | 78.7 | 4.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N47 | N47-G51 WeakPolarHBondContact O-CA 3.43Å; N47-G51 PolarHBondContact O-N 2.82Å | ||
| 52 | Q | 94.4 | Very high | 94.5 | Very high | 89 Ų | 89 | 59.4 Ų | 59.4 | 42% | 0.416 | 33% | 0.325 | S | S | . | . | trans | -77 | 154.1 | 179.9 | -62.4 | -176.7 | 0.6 | 0 | 0 | 111.7 | K46 N47 N50 D57 | K46-Q52 WeakPolarHBondContact CA-O 3.48Å; K46-Q52 WeakPolarHBondContact CB-O 3.49Å; N47-Q52 PolarHBondContact N-O 2.78Å; N50-Q52 VanDerWaalsContact C-N 3.29Å; N50-Q52 PolarHBondContact O-N 2.68Å; N50-Q52 WeakPolarHBondContact OD1-CB 3.15Å; N50-Q52 PolarHBondContact OD1-N 2.92Å; Q52-D57 HydrophobicContact CB-CB 4.28Å | ||
| 53 | N | 95.4 | Very high | 94.5 | Very high | 71 Ų | 71 | 60.1 Ų | 60.1 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -74.3 | 151.8 | 168.5 | -50 | -59.6 | 0 | 0 | 0 | 108.9 | K46 A55 D56 D57 | K46-N53 WeakPolarHBondContact CE-OD1 3.34Å; N53-A55 VanDerWaalsContact C-N 3.26Å; N53-A55 PolarHBondContact O-N 3.46Å; N53-D56 PolarHBondContact ND2-OD2 3.27Å; N53-D56 PolarHBondContact O-N 3.46Å; N53-D57 PolarHBondContact O-N 2.86Å |
| 54 | I | 94.3 | Very high | 94.5 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.077 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -53.5 | -42.9 | -178.8 | -71.7 | 162.5 | 0 | 0 | 0 | 112.3 | A42 E45 D56 D57 L64 E65 | A42-I54 HydrophobicContact CB-CD1 4.13Å; E45-I54 WeakPolarHBondContact O-CG1 3.37Å; E45-I54 PolarHBondContact O-N 2.94Å; I54-D56 PolarHBondContact O-N 3.24Å; I54-D57 PolarHBondContact O-N 3.3Å; I54-L64 HydrophobicContact CD1-CB 3.87Å; I54-L64 HydrophobicContact CD1-CD1 3.87Å; I54-L64 HydrophobicContact CG1-CB 4.24Å; I54-L64 HydrophobicContact CG1-CD1 4.02Å; I54-L64 HydrophobicContact CG2-CB 3.64Å; I54-E65 HydrophobicContact CG2-CB 4.34Å |
| 55 | A | 92 | Very high | 94.5 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 53% | 0.529 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -69.9 | -15 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | N53 | N53-A55 VanDerWaalsContact C-N 3.26Å; N53-A55 PolarHBondContact O-N 3.46Å |
| 56 | D | 94.3 | Very high | 94.4 | Very high | 113 Ų | 113 | 59.1 Ų | 59.1 | 60% | 0.604 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -100.2 | -6.1 | 179.6 | -58.6 | -50.8 | 0 | 0 | 0 | 112 | N53 I54 | N53-D56 PolarHBondContact ND2-OD2 3.27Å; N53-D56 PolarHBondContact O-N 3.46Å; I54-D56 PolarHBondContact O-N 3.24Å |
| 57 | D | 94.8 | Very high | 94.1 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | trans | -109.1 | 115.8 | -174.6 | -176.8 | -56.4 | 0 | 0 | 0 | 110 | N47 N50 Q52 N53 I54 H59 A60 S61 | N47-D57 PolarHBondContact ND2-OD2 2.78Å; N50-D57 PolarHBondContact ND2-OD2 2.79Å; Q52-D57 HydrophobicContact CB-CB 4.28Å; N53-D57 PolarHBondContact O-N 2.86Å; I54-D57 PolarHBondContact O-N 3.3Å; D57-H59 VanDerWaalsContact C-N 3.25Å; D57-H59 PolarHBondContact O-N 3.04Å; D57-H59 PolarHBondContact OD1-N 2.89Å; D57-H59 VanDerWaalsContact OD1-N 3.07Å; D57-A60 HydrophobicContact CB-CB 3.91Å; D57-A60 PolarHBondContact O-N 3.02Å; D57-A60 PolarHBondContact OD1-N 3.29Å; D57-S61 WeakPolarHBondContact O-CB 3.25Å; D57-S61 PolarHBondContact O-N 3.37Å; D57-S61 PolarHBondContact O-OG 2.78Å; D57-S61 VanDerWaalsContact O-OG 3.07Å | ||
| 58 | E | 92.3 | Very high | 93.8 | Very high | 158 Ų | 158 | 60.9 Ų | 60.9 | 74% | 0.738 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -33.1 | -173.1 | -176.8 | 177.4 | 179.3 | 0 | 0 | 113.7 | S61 I62 | E58-S61 PolarHBondContact O-OG 2.95Å; E58-I62 WeakPolarHBondContact O-CD1 3.38Å; E58-I62 WeakPolarHBondContact O-CG1 3.47Å |
| 59 | H | 92.8 | Very high | 93.5 | Very high | 80 Ų | 80 | 60.8 Ų | 60.8 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -45.2 | 179.6 | -64.7 | -66.2 | 0 | 0 | 0 | 111 | D57 S61 I62 F63 F281 | D57-H59 VanDerWaalsContact C-N 3.25Å; D57-H59 PolarHBondContact O-N 3.04Å; D57-H59 PolarHBondContact OD1-N 2.89Å; D57-H59 VanDerWaalsContact OD1-N 3.07Å; H59-S61 VanDerWaalsContact C-N 3.31Å; H59-S61 PolarHBondContact O-N 3.05Å; H59-I62 PolarHBondContact O-N 2.84Å; H59-F63 WeakPolarHBondContact O-CD2 3.28Å; H59-F281 HydrophobicContact CB-CE1 4.41Å |
| 60 | A | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.3 | -31.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N47 D57 I62 F63 L64 F281 | N47-A60 HydrophobicContact CB-CB 4.46Å; D57-A60 HydrophobicContact CB-CB 3.91Å; D57-A60 PolarHBondContact O-N 3.02Å; D57-A60 PolarHBondContact OD1-N 3.29Å; A60-I62 VanDerWaalsContact C-N 3.28Å; A60-I62 PolarHBondContact O-N 2.59Å; A60-F63 PolarHBondContact O-N 3.21Å; A60-L64 HydrophobicContact CB-CD1 4.43Å; A60-L64 VanDerWaalsContact O-CB 3.32Å; A60-L64 WeakPolarHBondContact O-CB 3.46Å; A60-L64 PolarHBondContact O-N 2.85Å; A60-F281 HydrophobicContact CB-CD1 4.02Å; A60-F281 HydrophobicContact CB-CD2 4.35Å; A60-F281 HydrophobicContact CB-CE1 3.84Å; A60-F281 HydrophobicContact CB-CE2 4.18Å; A60-F281 HydrophobicContact CB-CG 4.28Å; A60-F281 HydrophobicContact CB-CZ 3.93Å |
| 61 | S | 95.6 | Very high | 93.7 | Very high | 31 Ų | 31 | 59.2 Ų | 59.2 | 22% | 0.217 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -34 | 179.2 | 58.8 | 0 | 0 | 0 | 0 | 112.8 | D57 E58 H59 F63 E65 | D57-S61 WeakPolarHBondContact O-CB 3.25Å; D57-S61 PolarHBondContact O-N 3.37Å; D57-S61 PolarHBondContact O-OG 2.78Å; D57-S61 VanDerWaalsContact O-OG 3.07Å; E58-S61 PolarHBondContact O-OG 2.95Å; H59-S61 VanDerWaalsContact C-N 3.31Å; H59-S61 PolarHBondContact O-N 3.05Å; S61-F63 VanDerWaalsContact C-N 3.31Å; S61-F63 PolarHBondContact O-N 3.48Å; S61-E65 WeakPolarHBondContact O-CB 3.43Å; S61-E65 PolarHBondContact O-N 2.93Å |
| 62 | I | 94.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 57.3 Ų | 57.3 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.8 | -45.2 | -179.3 | -64.8 | 169.2 | 0 | 0 | 0 | 110.8 | E58 H59 A60 S270 | E58-I62 WeakPolarHBondContact O-CD1 3.38Å; E58-I62 WeakPolarHBondContact O-CG1 3.47Å; H59-I62 PolarHBondContact O-N 2.84Å; A60-I62 VanDerWaalsContact C-N 3.28Å; A60-I62 PolarHBondContact O-N 2.59Å; I62-S270 VanDerWaalsContact O-CB 3.31Å; I62-S270 WeakPolarHBondContact O-CB 3.42Å |
| 63 | F | 96.6 | Very high | 94 | Very high | 15 Ų | 15 | 54.1 Ų | 54.1 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -94.7 | -32.5 | -173.8 | -55.5 | -79.1 | 0 | 0 | 0 | 113.6 | H59 A60 S61 E269 L272 M273 F281 A360 | H59-F63 WeakPolarHBondContact O-CD2 3.28Å; A60-F63 PolarHBondContact O-N 3.21Å; S61-F63 VanDerWaalsContact C-N 3.31Å; S61-F63 PolarHBondContact O-N 3.48Å; F63-E269 HydrophobicContact CE1-CG 4.25Å; F63-E269 WeakPolarHBondContact CE1-O 3.35Å; F63-E269 WeakPolarHBondContact CE1-OE1 3.47Å; F63-L272 WeakPolarHBondContact CD1-O 3.25Å; F63-M273 WeakPolarHBondContact O-CE 3.31Å; F63-F281 HydrophobicContact CD2-CE2 4.36Å; F63-F281 HydrophobicContact CD2-CZ 4.12Å; F63-A360 HydrophobicContact CE1-CB 4.4Å; F63-A360 HydrophobicContact CE2-CB 3.69Å; F63-A360 HydrophobicContact CZ-CB 3.63Å |
| 64 | L | 96.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 52.7 Ų | 52.7 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -111.9 | -15.7 | -165.1 | -58.3 | 176 | 0 | 0 | 0 | 114.2 | A42 I54 A60 G72 S73 M273 F281 | A42-L64 HydrophobicContact CB-CD1 3.49Å; A42-L64 VanDerWaalsContact CB-CD1 3.49Å; A42-L64 HydrophobicContact CB-CD2 4.03Å; A42-L64 HydrophobicContact CB-CG 4.34Å; I54-L64 HydrophobicContact CD1-CB 3.87Å; I54-L64 HydrophobicContact CD1-CD1 3.87Å; I54-L64 HydrophobicContact CG1-CB 4.24Å; I54-L64 HydrophobicContact CG1-CD1 4.02Å; I54-L64 HydrophobicContact CG2-CB 3.64Å; A60-L64 HydrophobicContact CB-CD1 4.43Å; A60-L64 VanDerWaalsContact O-CB 3.32Å; A60-L64 WeakPolarHBondContact O-CB 3.46Å; A60-L64 PolarHBondContact O-N 2.85Å; L64-G72 WeakPolarHBondContact O-CA 3.41Å; L64-S73 PolarHBondContact O-N 3.19Å; L64-M273 HydrophobicContact CD2-SD 4.28Å; L64-F281 HydrophobicContact CD1-CD2 3.48Å; L64-F281 VanDerWaalsContact CD1-CD2 3.48Å; L64-F281 HydrophobicContact CD1-CE2 3.85Å; L64-F281 HydrophobicContact CD1-CG 4.38Å; L64-F281 HydrophobicContact CG-CD2 4.33Å; L64-F281 HydrophobicContact CG-CE2 4.25Å |
| 65 | E | 94.6 | Very high | 94.3 | Very high | 95 Ų | 95 | 52 Ų | 52 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | trans | -78.6 | 132.7 | 179.1 | -168.1 | 173.3 | -168.3 | 0 | 0 | 111.5 | I54 S61 G72 | I54-E65 HydrophobicContact CG2-CB 4.34Å; S61-E65 WeakPolarHBondContact O-CB 3.43Å; S61-E65 PolarHBondContact O-N 2.93Å; E65-G72 WeakPolarHBondContact O-CA 3.32Å | ||
| 66 | R | 93.6 | Very high | 94.6 | Very high | 143 Ų | 143 | 50.8 Ų | 50.8 | 54% | 0.54 | 25% | 0.249 | S | C | . | . | trans | -83.7 | 126.1 | 175.9 | -178.1 | 179.2 | 175.5 | -161.4 | -1 | 110.2 | R253 | R66-R253 PolarHBondContact NE-O 3.25Å; R66-R253 PolarHBondContact NH2-O 3.08Å | ||
| 67 | G | 89.8 | Confident | 94.7 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 19% | 0.186 | 22% | 0.22 | C | C | . | . | trans | -126.1 | -169.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D69 R70 L255 | G67-D69 VanDerWaalsContact C-N 3.3Å; G67-R70 PolarHBondContact N-O 3.01Å; G67-R70 VanDerWaalsContact N-O 3.09Å; G67-L255 WeakPolarHBondContact O-CG 3.16Å; G67-L255 PolarHBondContact O-N 2.72Å | ||
| 68 | K | 89.4 | Confident | 94.9 | Very high | 115 Ų | 115 | 45 Ų | 45 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -64 | -41.3 | 173.3 | -71.9 | 178.9 | 175.4 | -179 | 0 | 111.7 | C254 E256 | K68-C254 WeakPolarHBondContact O-CB 3.22Å; K68-E256 HydrophobicContact CB-CB 4.35Å; K68-E256 HydrophobicContact CB-CG 4.34Å; K68-E256 VanDerWaalsContact CD-OE1 3.28Å; K68-E256 WeakPolarHBondContact CD-OE1 3.41Å; K68-E256 VanDerWaalsContact CE-OE1 3.28Å; K68-E256 WeakPolarHBondContact CE-OE1 3.47Å; K68-E256 HydrophobicContact CG-CG 4.3Å; K68-E256 IonicContact NZ-OE1 3.98Å; K68-E256 CarbonylContact O-C 3.58Å; K68-E256 WeakPolarHBondContact O-CA 3.42Å; K68-E256 PolarHBondContact O-N 2.87Å |
| 69 | D | 89.2 | Confident | 95.2 | Very high | 59 Ų | 59 | 37.5 Ų | 37.5 | 32% | 0.316 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -126.4 | 24.3 | -172.6 | 58.5 | -31.6 | 0 | 0 | 0 | 110.8 | G67 V260 F267 | G67-D69 VanDerWaalsContact C-N 3.3Å; D69-V260 HydrophobicContact CB-CG2 4.46Å; D69-F267 WeakPolarHBondContact O-CD2 3.24Å |
| 70 | R | 93.2 | Very high | 95.5 | Very high | 38 Ų | 38 | 33.7 Ų | 33.7 | 14% | 0.143 | 17% | 0.165 | C | C | . | . | trans | -135.8 | 132.9 | 179.3 | -62.6 | -67.8 | -173.6 | -71.7 | -11.7 | 110.3 | G67 C254 E266 S270 | G67-R70 PolarHBondContact N-O 3.01Å; G67-R70 VanDerWaalsContact N-O 3.09Å; R70-C254 VanDerWaalsContact C-SG 3.55Å; R70-E266 PolarHBondContact NE-O 3.36Å; R70-E266 IonicContact NH2-OE2 3.37Å; R70-E266 PolarHBondContact NH2-OE2 2.91Å; R70-S270 VanDerWaalsContact CD-CB 3.43Å; R70-S270 WeakPolarHBondContact CD-OG 2.99Å | ||
| 71 | I | 96.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | trans | -72.4 | -39.8 | -177.2 | -64.1 | 167.8 | 0 | 0 | 0 | 110.4 | Y75 L247 N250 I251 F267 | I71-Y75 HydrophobicContact CB-CE1 3.91Å; I71-Y75 HydrophobicContact CD1-CD1 4.37Å; I71-Y75 HydrophobicContact CD1-CE1 3.61Å; I71-Y75 HydrophobicContact CG1-CE1 4.35Å; I71-Y75 HydrophobicContact CG2-CD1 3.99Å; I71-Y75 HydrophobicContact CG2-CD2 4.49Å; I71-Y75 HydrophobicContact CG2-CE1 3.6Å; I71-Y75 HydrophobicContact CG2-CE2 4.14Å; I71-Y75 HydrophobicContact CG2-CG 4.41Å; I71-L247 HydrophobicContact CD1-CD1 4.24Å; I71-N250 HydrophobicContact CD1-CB 3.93Å; I71-N250 HydrophobicContact CG2-CB 4.27Å; I71-I251 HydrophobicContact CD1-CG1 4.27Å; I71-F267 HydrophobicContact CD1-CE2 4.25Å; I71-F267 HydrophobicContact CD1-CZ 4.19Å; I71-F267 HydrophobicContact CG1-CE2 4.3Å | ||
| 72 | G | 95.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | trans | 82.9 | -163.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | L64 E65 T74 Y75 | L64-G72 WeakPolarHBondContact O-CA 3.41Å; E65-G72 WeakPolarHBondContact O-CA 3.32Å; G72-T74 VanDerWaalsContact C-N 3.29Å; G72-T74 PolarHBondContact O-N 3.37Å; G72-Y75 WeakPolarHBondContact O-CE2 3.39Å | ||
| 73 | S | 96.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 15% | 0.154 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -70.5 | -1.7 | -165.4 | 68.3 | 0 | 0 | 0 | 0 | 118.7 | S40 Y41 L64 | S40-S73 WeakPolarHBondContact CA-O 3.47Å; Y41-S73 PolarHBondContact N-O 3.17Å; L64-S73 PolarHBondContact O-N 3.19Å |
| 74 | T | 97.8 | Very high | 95.6 | Very high | 41 Ų | 41 | 36.2 Ų | 36.2 | 25% | 0.252 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 118.1 | -169 | -55.6 | 0 | 0 | 0 | 0 | 113.4 | D38 W39 G72 | D38-T74 HydrophobicContact CB-CG2 4.05Å; W39-T74 CarbonylContact O-C 3.5Å; W39-T74 VanDerWaalsContact O-CA 3.28Å; W39-T74 WeakPolarHBondContact O-CA 3.44Å; G72-T74 VanDerWaalsContact C-N 3.29Å; G72-T74 PolarHBondContact O-N 3.37Å |
| 75 | Y | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 143.8 | -175.9 | -66.6 | -105.2 | 0 | 0 | 0 | 111 | W39 Y41 I71 G72 E241 N250 N271 M273 | W39-Y75 PolarHBondContact N-O 2.83Å; W39-Y75 PolarHBondContact O-N 3.45Å; Y41-Y75 AromaticContact CD2-CD2 3.91Å; Y41-Y75 HydrophobicContact CD2-CD2 3.91Å; Y41-Y75 HydrophobicContact CD2-CE2 4.36Å; Y41-Y75 AromaticContact CE2-CD2 3.62Å; Y41-Y75 HydrophobicContact CE2-CD2 3.62Å; Y41-Y75 HydrophobicContact CE2-CE2 4.26Å; Y41-Y75 HydrophobicContact CE2-CG 4.26Å; I71-Y75 HydrophobicContact CB-CE1 3.91Å; I71-Y75 HydrophobicContact CD1-CD1 4.37Å; I71-Y75 HydrophobicContact CD1-CE1 3.61Å; I71-Y75 HydrophobicContact CG1-CE1 4.35Å; I71-Y75 HydrophobicContact CG2-CD1 3.99Å; I71-Y75 HydrophobicContact CG2-CD2 4.49Å; I71-Y75 HydrophobicContact CG2-CE1 3.6Å; I71-Y75 HydrophobicContact CG2-CE2 4.14Å; I71-Y75 HydrophobicContact CG2-CG 4.41Å; G72-Y75 WeakPolarHBondContact O-CE2 3.39Å; Y75-E241 WeakPolarHBondContact CB-OE1 3.47Å; Y75-E241 HydrophobicContact CD1-CB 3.58Å; Y75-E241 HydrophobicContact CD1-CG 3.44Å; Y75-E241 VanDerWaalsContact CD1-CG 3.44Å; Y75-E241 HydrophobicContact CD2-CG 4.24Å; Y75-E241 HydrophobicContact CE1-CB 3.5Å; Y75-E241 VanDerWaalsContact CE1-CB 3.5Å; Y75-E241 HydrophobicContact CE1-CG 3.67Å; Y75-E241 HydrophobicContact CE2-CG 4.43Å; Y75-E241 HydrophobicContact CG-CB 4.41Å; Y75-E241 HydrophobicContact CG-CG 3.77Å; Y75-N250 HydrophobicContact CD1-CB 4.08Å; Y75-N271 PolarHBondContact OH-OD1 2.75Å; Y75-M273 HydrophobicContact CD2-CE 4.47Å; Y75-M273 HydrophobicContact CE2-CE 3.38Å; Y75-M273 HydrophobicContact CE2-SD 4.35Å; Y75-M273 VanDerWaalsContact OH-CE 3.28Å; Y75-M273 WeakPolarHBondContact OH-CE 3.41Å |
| 76 | K | 98.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 16% | 0.161 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 129.2 | 167.1 | -177.5 | -178.2 | 173.9 | -170.5 | 0 | 109 | E36 Y246 D249 N250 | E36-K76 WeakPolarHBondContact OE2-CE 3.42Å; E36-K76 IonicContact OE2-NZ 3.62Å; E36-K76 PolarHBondContact OE2-NZ 2.7Å; K76-Y246 HydrophobicContact CD-CD1 3.92Å; K76-Y246 HydrophobicContact CD-CE1 4.5Å; K76-Y246 HydrophobicContact CD-CG 4.29Å; K76-Y246 HydrophobicContact CG-CD1 4.27Å; K76-Y246 HydrophobicContact CG-CG 4.21Å; K76-Y246 WeakPolarHBondContact O-CB 3.49Å; K76-D249 HydrophobicContact CD-CB 4.14Å; K76-D249 IonicContact NZ-OD2 3.45Å; K76-D249 PolarHBondContact NZ-OD2 3.29Å; K76-N250 VanDerWaalsContact CB-OD1 3.23Å; K76-N250 WeakPolarHBondContact CB-OD1 3.16Å; K76-N250 PolarHBondContact N-OD1 3.2Å; K76-N250 PolarHBondContact O-ND2 3.26Å |
| 77 | K | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154.7 | -176.6 | -62.1 | -165.1 | 77.5 | 77.3 | 0 | 111.9 | E36 D37 W39 Y41 M79 A198 S199 E241 | E36-K77 VanDerWaalsContact CA-O 3.3Å; E36-K77 WeakPolarHBondContact CA-O 3.23Å; D37-K77 PolarHBondContact N-O 2.93Å; D37-K77 PolarHBondContact O-N 2.65Å; W39-K77 HydrophobicContact CB-CB 4.37Å; W39-K77 HydrophobicContact CB-CD 3.51Å; W39-K77 HydrophobicContact CB-CG 3.87Å; W39-K77 HydrophobicContact CG-CD 3.79Å; Y41-K77 PolarHBondContact OH-NZ 2.74Å; Y41-K77 VanDerWaalsContact OH-NZ 3.08Å; K77-M79 HydrophobicContact CB-CE 4.47Å; K77-M79 HydrophobicContact CB-CG 4.36Å; K77-A198 PolarHBondContact NZ-O 3.17Å; K77-S199 CarbonylContact C-O 3.58Å; K77-S199 WeakPolarHBondContact CA-O 3.29Å; K77-S199 VanDerWaalsContact CB-O 3.25Å; K77-S199 WeakPolarHBondContact CB-O 3.5Å; K77-E241 IonicContact NZ-OE1 3.91Å; K77-E241 PolarHBondContact NZ-OE1 3.18Å; K77-E241 IonicContact NZ-OE2 2.84Å |
| 78 | A | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | I34 I35 Y125 S199 G200 L201 Y246 | I34-A78 HydrophobicContact CG2-CB 4.44Å; I35-A78 CarbonylContact O-C 3.57Å; I35-A78 WeakPolarHBondContact O-CA 3.35Å; A78-Y125 HydrophobicContact CB-CE2 3.77Å; A78-Y125 WeakPolarHBondContact CB-OH 3.48Å; A78-S199 PolarHBondContact N-O 3.03Å; A78-G200 CarbonylContact O-C 3.56Å; A78-G200 VanDerWaalsContact O-CA 3.28Å; A78-G200 WeakPolarHBondContact O-CA 3.35Å; A78-L201 HydrophobicContact CB-CD1 4.13Å; A78-L201 HydrophobicContact CB-CD2 3.96Å; A78-L201 HydrophobicContact CB-CG 3.87Å; A78-L201 WeakPolarHBondContact O-CD2 3.48Å; A78-L201 PolarHBondContact O-N 2.91Å; A78-Y246 HydrophobicContact CB-CE2 3.72Å |
| 79 | M | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 142.4 | -173.5 | -66.4 | 176.5 | -80.5 | 0 | 0 | 112.3 | I35 D37 W39 K77 R81 F100 | I35-M79 PolarHBondContact N-O 3.4Å; I35-M79 PolarHBondContact O-N 3.3Å; D37-M79 HydrophobicContact CB-CE 3.56Å; W39-M79 HydrophobicContact CE3-SD 4.34Å; K77-M79 HydrophobicContact CB-CE 4.47Å; K77-M79 HydrophobicContact CB-CG 4.36Å; M79-R81 PolarHBondContact SD-NH2 2.61Å; M79-F100 HydrophobicContact CG-CB 4.18Å; M79-F100 HydrophobicContact SD-CB 3.6Å; M79-F100 VanDerWaalsContact SD-CB 3.6Å |
| 80 | Y | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 134.5 | 168.3 | -65.2 | -66 | 0 | 0 | 0 | 111 | I32 I34 L117 S126 I127 Y187 S189 L201 | I32-Y80 HydrophobicContact CG2-CD1 3.65Å; I32-Y80 HydrophobicContact CG2-CG 4.21Å; I34-Y80 HydrophobicContact CD1-CD1 4.44Å; I34-Y80 HydrophobicContact CD1-CE1 3.83Å; I34-Y80 HydrophobicContact CG1-CD1 3.67Å; I34-Y80 HydrophobicContact CG1-CE1 3.56Å; Y80-L117 HydrophobicContact CD1-CD1 4.41Å; Y80-L117 HydrophobicContact CE1-CD1 4.16Å; Y80-S126 PolarHBondContact OH-O 2.89Å; Y80-I127 HydrophobicContact CE1-CB 4.44Å; Y80-I127 HydrophobicContact CE1-CD1 4.37Å; Y80-I127 HydrophobicContact CE1-CG1 4.38Å; Y80-Y187 HydrophobicContact CD2-CD2 4.31Å; Y80-Y187 AromaticContact CD2-CE2 3.67Å; Y80-Y187 HydrophobicContact CD2-CE2 3.67Å; Y80-Y187 HydrophobicContact CE2-CD2 4.04Å; Y80-Y187 AromaticContact CE2-CE2 3.86Å; Y80-Y187 HydrophobicContact CE2-CE2 3.86Å; Y80-Y187 HydrophobicContact CG-CE2 4.05Å; Y80-S189 PolarHBondContact OH-N 2.74Å; Y80-L201 HydrophobicContact CD1-CD2 4.3Å; Y80-L201 HydrophobicContact CD2-CB 4.44Å; Y80-L201 HydrophobicContact CD2-CD2 4.13Å; Y80-L201 HydrophobicContact CE1-CD2 4.24Å; Y80-L201 VanDerWaalsContact CE2-C 3.47Å; Y80-L201 HydrophobicContact CE2-CB 3.8Å; Y80-L201 HydrophobicContact CE2-CD2 4.07Å; Y80-L201 HydrophobicContact CG-CD2 4.25Å |
| 81 | R | 97.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 39.5 Ų | 39.5 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 132.1 | 175 | -67.3 | -62.9 | -179.4 | -103.8 | 4.3 | 111 | I32 G33 I35 M79 Y83 L91 F100 | I32-R81 CarbonylContact C-O 3.57Å; I32-R81 WeakPolarHBondContact CA-O 3.34Å; G33-R81 PolarHBondContact N-O 3.18Å; G33-R81 PolarHBondContact O-N 3.32Å; I35-R81 HydrophobicContact CD1-CG 3.57Å; I35-R81 HydrophobicContact CG1-CG 3.76Å; M79-R81 PolarHBondContact SD-NH2 2.61Å; R81-Y83 HydrophobicContact CB-CE2 4.23Å; R81-Y83 WeakPolarHBondContact O-CD2 3.35Å; R81-L91 HydrophobicContact CB-CD2 3.76Å; R81-L91 HydrophobicContact CG-CD2 4.4Å; R81-F100 PolarHBondContact NH1-O 3.29Å |
| 82 | E | 97.4 | Very high | 96.4 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 141.5 | 175.7 | -176.6 | 178.5 | -171.5 | 0 | 0 | 111.2 | Y31 L91 A92 P103 | Y31-E82 CarbonylContact O-C 3.6Å; Y31-E82 WeakPolarHBondContact O-CA 3.22Å; E82-L91 CarbonylContact O-C 3.57Å; E82-L91 WeakPolarHBondContact O-CA 3.19Å; E82-A92 HydrophobicContact CB-CB 3.9Å; E82-A92 HydrophobicContact CG-CB 3.61Å; E82-A92 PolarHBondContact O-N 2.95Å; E82-P103 HydrophobicContact CB-CB 3.61Å; E82-P103 HydrophobicContact CB-CG 3.85Å; E82-P103 HydrophobicContact CG-CB 4.42Å |
| 83 | Y | 97.2 | Very high | 96.1 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 11% | 0.106 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 153.6 | 175.4 | -68.2 | -97 | 0 | 0 | 0 | 110.4 | Y31 R81 D85 Y88 H90 L91 F120 | Y31-Y83 PolarHBondContact O-N 2.87Å; R81-Y83 HydrophobicContact CB-CE2 4.23Å; R81-Y83 WeakPolarHBondContact O-CD2 3.35Å; Y83-D85 PolarHBondContact O-N 2.74Å; Y83-Y88 WeakPolarHBondContact CD1-O 3.4Å; Y83-Y88 AromaticContact CD2-CD1 3.63Å; Y83-Y88 HydrophobicContact CD2-CD1 3.63Å; Y83-Y88 HydrophobicContact CD2-CE1 4.43Å; Y83-Y88 WeakPolarHBondContact CE1-O 2.96Å; Y83-Y88 HydrophobicContact CE2-CD1 4.09Å; Y83-Y88 AromaticContact CG-CD1 3.88Å; Y83-Y88 HydrophobicContact CG-CD1 3.88Å; Y83-Y88 HydrophobicContact CG-CG 4.4Å; Y83-H90 VanDerWaalsContact CA-O 3.29Å; Y83-H90 WeakPolarHBondContact CA-O 3.46Å; Y83-L91 HydrophobicContact CD1-CD2 4.11Å; Y83-L91 HydrophobicContact CD2-CD2 4.41Å; Y83-L91 HydrophobicContact CE1-CD2 3.73Å; Y83-L91 HydrophobicContact CE1-CG 4.39Å; Y83-L91 HydrophobicContact CE2-CD2 4.02Å; Y83-L91 HydrophobicContact CG-CD2 4.46Å; Y83-F120 HydrophobicContact CE2-CE2 4.43Å |
| 84 | T | 93.6 | Very high | 95.9 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 37% | 0.368 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -68.6 | -23 | -176.1 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | H90 | T84-H90 HydrophobicContact CG2-CB 4.36Å; T84-H90 PolarHBondContact N-O 3.47Å |
| 85 | D | 93.2 | Very high | 95.6 | Very high | 58 Ų | 58 | 46 Ų | 46 | 31% | 0.31 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -164.8 | 179.9 | -175.7 | 58.4 | 57.6 | 0 | 0 | 0 | 112.3 | Y31 Y83 T87 Y88 | Y31-D85 VanDerWaalsContact CD2-CA 3.44Å; Y31-D85 VanDerWaalsContact CG-C 3.45Å; Y83-D85 PolarHBondContact O-N 2.74Å; D85-T87 PolarHBondContact O-N 2.97Å; D85-T87 WeakPolarHBondContact OD1-CB 3.48Å; D85-T87 VanDerWaalsContact OD1-CG2 3.3Å; D85-T87 WeakPolarHBondContact OD1-CG2 3.44Å; D85-T87 PolarHBondContact OD1-N 2.98Å; D85-T87 PolarHBondContact OD1-OG1 2.58Å; D85-Y88 PolarHBondContact O-N 3.04Å |
| 86 | A | 94.4 | Very high | 95.3 | Very high | 62 Ų | 62 | 52 Ų | 52 | 51% | 0.512 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -6.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y31 Y88 | Y31-A86 VanDerWaalsContact CD1-CA 3.48Å; Y31-A86 HydrophobicContact CD1-CB 3.98Å; Y31-A86 VanDerWaalsContact CE1-CA 3.46Å; Y31-A86 HydrophobicContact CE1-CB 3.43Å; Y31-A86 VanDerWaalsContact CE1-CB 3.43Å; A86-Y88 VanDerWaalsContact C-N 3.33Å; A86-Y88 WeakPolarHBondContact O-CD2 3.12Å; A86-Y88 WeakPolarHBondContact O-CE2 3.41Å |
| 87 | T | 95.6 | Very high | 95.1 | Very high | 94 Ų | 94 | 51.9 Ų | 51.9 | 58% | 0.577 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -20.3 | 177 | 69.5 | 0 | 0 | 0 | 0 | 112.4 | D85 S89 | D85-T87 PolarHBondContact O-N 2.97Å; D85-T87 WeakPolarHBondContact OD1-CB 3.48Å; D85-T87 VanDerWaalsContact OD1-CG2 3.3Å; D85-T87 WeakPolarHBondContact OD1-CG2 3.44Å; D85-T87 PolarHBondContact OD1-N 2.98Å; D85-T87 PolarHBondContact OD1-OG1 2.58Å; T87-S89 PolarHBondContact O-N 2.94Å; T87-S89 PolarHBondContact OG1-N 2.63Å; T87-S89 PolarHBondContact OG1-OG 3.02Å |
| 88 | Y | 96.1 | Very high | 95 | Very high | 33 Ų | 33 | 52 Ų | 52 | 13% | 0.129 | 29% | 0.293 | C | S | . | . | trans | 53.6 | 34.3 | -173.9 | -56.1 | -94.9 | 0 | 0 | 0 | 113.5 | Y83 D85 A86 H116 K118 F120 | Y83-Y88 WeakPolarHBondContact CD1-O 3.4Å; Y83-Y88 AromaticContact CD2-CD1 3.63Å; Y83-Y88 HydrophobicContact CD2-CD1 3.63Å; Y83-Y88 HydrophobicContact CD2-CE1 4.43Å; Y83-Y88 WeakPolarHBondContact CE1-O 2.96Å; Y83-Y88 HydrophobicContact CE2-CD1 4.09Å; Y83-Y88 AromaticContact CG-CD1 3.88Å; Y83-Y88 HydrophobicContact CG-CD1 3.88Å; Y83-Y88 HydrophobicContact CG-CG 4.4Å; D85-Y88 PolarHBondContact O-N 3.04Å; A86-Y88 VanDerWaalsContact C-N 3.33Å; A86-Y88 WeakPolarHBondContact O-CD2 3.12Å; A86-Y88 WeakPolarHBondContact O-CE2 3.41Å; Y88-H116 PolarHBondContact OH-O 2.78Å; Y88-K118 HydrophobicContact CD1-CB 4.24Å; Y88-K118 HydrophobicContact CD2-CD 3.97Å; Y88-K118 HydrophobicContact CE1-CB 3.68Å; Y88-K118 HydrophobicContact CE2-CB 4.12Å; Y88-K118 HydrophobicContact CE2-CD 3.95Å; Y88-K118 HydrophobicContact CG-CD 4.36Å; Y88-F120 AromaticContact CD1-CE2 3.94Å; Y88-F120 HydrophobicContact CD1-CE2 3.94Å; Y88-F120 HydrophobicContact CD1-CZ 4.05Å; Y88-F120 HydrophobicContact CG-CE2 4.21Å; Y88-F120 AromaticContact CG-CZ 3.85Å; Y88-F120 HydrophobicContact CG-CZ 3.85Å | ||
| 89 | S | 95.2 | Very high | 94.9 | Very high | 71 Ų | 71 | 52.2 Ų | 52.2 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | trans | -97.9 | -28.4 | -177.4 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | T87 | T87-S89 PolarHBondContact O-N 2.94Å; T87-S89 PolarHBondContact OG1-N 2.63Å; T87-S89 PolarHBondContact OG1-OG 3.02Å | ||
| 90 | H | 96.1 | Very high | 94.8 | Very high | 124 Ų | 124 | 52.3 Ų | 52.3 | 57% | 0.574 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -128 | 125.6 | -177.4 | -63.7 | -68.7 | 0 | 0 | 0 | 110.8 | Y83 T84 | Y83-H90 VanDerWaalsContact CA-O 3.29Å; Y83-H90 WeakPolarHBondContact CA-O 3.46Å; T84-H90 HydrophobicContact CG2-CB 4.36Å; T84-H90 PolarHBondContact N-O 3.47Å |
| 91 | L | 94.7 | Very high | 94.8 | Very high | 101 Ų | 101 | 52.3 Ų | 52.3 | 53% | 0.529 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -68.4 | 141.9 | 174.8 | -68.6 | 174.6 | 0 | 0 | 0 | 111 | R81 E82 Y83 | R81-L91 HydrophobicContact CB-CD2 3.76Å; R81-L91 HydrophobicContact CG-CD2 4.4Å; E82-L91 CarbonylContact O-C 3.57Å; E82-L91 WeakPolarHBondContact O-CA 3.19Å; Y83-L91 HydrophobicContact CD1-CD2 4.11Å; Y83-L91 HydrophobicContact CD2-CD2 4.41Å; Y83-L91 HydrophobicContact CE1-CD2 3.73Å; Y83-L91 HydrophobicContact CE1-CG 4.39Å; Y83-L91 HydrophobicContact CE2-CD2 4.02Å; Y83-L91 HydrophobicContact CG-CD2 4.46Å |
| 92 | A | 92.8 | Very high | 94.8 | Very high | 26 Ų | 26 | 50.9 Ų | 50.9 | 22% | 0.215 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 150.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E82 | E82-A92 HydrophobicContact CB-CB 3.9Å; E82-A92 HydrophobicContact CG-CB 3.61Å; E82-A92 PolarHBondContact O-N 2.95Å |
| 93 | A | 90.8 | Very high | 94.8 | Very high | 79 Ų | 79 | 48.3 Ų | 48.3 | 65% | 0.653 | 28% | 0.279 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 137.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | V220 | A93-V220 HydrophobicContact CB-CG2 3.63Š|
| 94 | R | 91.1 | Very high | 94.8 | Very high | 72 Ų | 72 | 47.7 Ų | 47.7 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | trans | -134.8 | 155.4 | -179.1 | 64.8 | -179.4 | -75.3 | 147.2 | 0.4 | 110.2 | L98 G99 L101 | R94-L98 HydrophobicContact CB-CD2 4.5Å; R94-L98 VanDerWaalsContact NH2-CG 3.3Å; R94-L98 PolarHBondContact NH2-O 3.27Å; R94-G99 PolarHBondContact NH2-O 3.14Å; R94-L101 VanDerWaalsContact CZ-O 3.28Å; R94-L101 PolarHBondContact NH1-O 3.22Å; R94-L101 PolarHBondContact NH2-O 3.13Å | ||
| 95 | P | 91.7 | Very high | 94.9 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 20% | 0.195 | 26% | 0.26 | C | S | . | . | trans | -73.7 | 145.9 | 169.9 | 26.4 | -26.7 | 0 | 0 | 0 | 111.4 | W97 L98 | P95-W97 HydrophobicContact CB-CD2 4.06Å; P95-W97 VanDerWaalsContact CB-CE2 3.46Å; P95-W97 HydrophobicContact CB-CG 4.33Å; P95-W97 HydrophobicContact CB-CH2 4.43Å; P95-W97 HydrophobicContact CB-CZ2 3.7Å; P95-W97 HydrophobicContact CG-CD2 4.22Å; P95-W97 HydrophobicContact CG-CH2 3.69Å; P95-W97 HydrophobicContact CG-CZ2 3.39Å; P95-W97 HydrophobicContact CG-CZ3 4.29Å; P95-W97 PolarHBondContact O-N 3.29Å; P95-L98 HydrophobicContact CG-CB 4.16Å; P95-L98 VanDerWaalsContact O-CB 3.29Å; P95-L98 WeakPolarHBondContact O-CB 3.32Å; P95-L98 PolarHBondContact O-N 3.05Å | ||
| 96 | D | 92.5 | Very high | 94.9 | Very high | 126 Ų | 126 | 44.7 Ų | 44.7 | 67% | 0.674 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -67.5 | -36.1 | -176.9 | -60.4 | -27.9 | 0 | 0 | 0 | 112.4 | L98 G99 P285 | D96-L98 PolarHBondContact O-N 2.73Å; D96-G99 PolarHBondContact O-N 3.29Å; D96-P285 HydrophobicContact CB-CB 4.02Å; D96-P285 HydrophobicContact CB-CG 4.4Å |
| 97 | W | 95 | Very high | 94.8 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 13% | 0.129 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -63.3 | -12 | 176.8 | 54.1 | -105.9 | 0 | 0 | 0 | 113.8 | P95 G99 I104 I232 Y233 N277 L284 P285 I287 | P95-W97 HydrophobicContact CB-CD2 4.06Å; P95-W97 VanDerWaalsContact CB-CE2 3.46Å; P95-W97 HydrophobicContact CB-CG 4.33Å; P95-W97 HydrophobicContact CB-CH2 4.43Å; P95-W97 HydrophobicContact CB-CZ2 3.7Å; P95-W97 HydrophobicContact CG-CD2 4.22Å; P95-W97 HydrophobicContact CG-CH2 3.69Å; P95-W97 HydrophobicContact CG-CZ2 3.39Å; P95-W97 HydrophobicContact CG-CZ3 4.29Å; P95-W97 PolarHBondContact O-N 3.29Å; W97-G99 PolarHBondContact O-N 2.83Å; W97-I104 HydrophobicContact CH2-CD1 4.14Å; W97-I232 HydrophobicContact CE3-CG2 4.4Å; W97-I232 HydrophobicContact CZ2-CD1 4.03Å; W97-Y233 AromaticContact CH2-CD2 3.7Å; W97-Y233 HydrophobicContact CH2-CD2 3.7Å; W97-Y233 HydrophobicContact CH2-CE2 4.47Å; W97-Y233 HydrophobicContact CZ3-CD2 4.03Å; W97-N277 PolarHBondContact O-ND2 2.7Å; W97-L284 HydrophobicContact CB-CD1 4.41Å; W97-L284 WeakPolarHBondContact O-CD1 3.31Å; W97-P285 WeakPolarHBondContact CB-O 3.29Å; W97-I287 HydrophobicContact CB-CG1 3.92Å; W97-I287 HydrophobicContact CG-CG1 4.12Å |
| 98 | L | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -70.9 | -14.6 | 178.1 | -166.8 | 63.4 | 0 | 0 | 0 | 112.2 | R94 P95 D96 L101 I104 P204 | R94-L98 HydrophobicContact CB-CD2 4.5Å; R94-L98 VanDerWaalsContact NH2-CG 3.3Å; R94-L98 PolarHBondContact NH2-O 3.27Å; P95-L98 HydrophobicContact CG-CB 4.16Å; P95-L98 VanDerWaalsContact O-CB 3.29Å; P95-L98 WeakPolarHBondContact O-CB 3.32Å; P95-L98 PolarHBondContact O-N 3.05Å; D96-L98 PolarHBondContact O-N 2.73Å; L98-L101 HydrophobicContact CD1-CB 4.1Å; L98-L101 HydrophobicContact CD1-CD1 4.01Å; L98-L101 HydrophobicContact CG-CB 4.07Å; L98-L101 VanDerWaalsContact O-CB 3.28Å; L98-L101 WeakPolarHBondContact O-CB 3.39Å; L98-L101 WeakPolarHBondContact O-CG 3.46Å; L98-L101 PolarHBondContact O-N 3.02Å; L98-I104 HydrophobicContact CD1-CD1 4.17Å; L98-I104 HydrophobicContact CD1-CG1 3.99Å; L98-I104 HydrophobicContact CD2-CD1 4.19Å; L98-I104 HydrophobicContact CD2-CG1 4.01Å; L98-P204 HydrophobicContact CD1-CG 4.28Å |
| 99 | G | 96.1 | Very high | 94.6 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | -132.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W39 R94 D96 W97 L101 N277 | W39-G99 VanDerWaalsContact CH2-CA 3.49Å; R94-G99 PolarHBondContact NH2-O 3.14Å; D96-G99 PolarHBondContact O-N 3.29Å; W97-G99 PolarHBondContact O-N 2.83Å; G99-L101 VanDerWaalsContact C-N 3.33Å; G99-N277 WeakPolarHBondContact CA-O 3.41Å |
| 100 | F | 96.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -16.2 | 177.1 | 64.6 | -120.5 | 0 | 0 | 0 | 113.8 | W39 Y41 M79 R81 I202 L235 V239 N277 | W39-F100 HydrophobicContact CD2-CB 3.93Å; W39-F100 HydrophobicContact CD2-CD1 4.23Å; W39-F100 AromaticContact CE2-CD1 3.81Å; W39-F100 HydrophobicContact CE3-CB 3.92Å; W39-F100 HydrophobicContact CG-CD1 4.42Å; W39-F100 HydrophobicContact CH2-CB 4.3Å; W39-F100 VanDerWaalsContact CH2-N 3.34Å; W39-F100 HydrophobicContact CZ2-CB 4.3Å; W39-F100 HydrophobicContact CZ2-CD1 4.22Å; W39-F100 HydrophobicContact CZ3-CB 4.11Å; W39-F100 AromaticContact NE1-CD1 3.74Å; Y41-F100 HydrophobicContact CE1-CE1 4.49Å; M79-F100 HydrophobicContact CG-CB 4.18Å; M79-F100 HydrophobicContact SD-CB 3.6Å; M79-F100 VanDerWaalsContact SD-CB 3.6Å; R81-F100 PolarHBondContact NH1-O 3.29Å; F100-I202 HydrophobicContact CE2-CG2 3.92Å; F100-L235 HydrophobicContact CE2-CD2 4.1Å; F100-L235 HydrophobicContact CZ-CD2 4.09Å; F100-V239 HydrophobicContact CE1-CG2 4.19Å; F100-V239 HydrophobicContact CZ-CG2 4.08Å; F100-N277 PolarHBondContact N-O 3.32Å |
| 101 | L | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -52.4 | 150.3 | -172.7 | -61.9 | 179.2 | 0 | 0 | 0 | 112.4 | R94 L98 G99 I202 L235 N277 F300 | R94-L101 VanDerWaalsContact CZ-O 3.28Å; R94-L101 PolarHBondContact NH1-O 3.22Å; R94-L101 PolarHBondContact NH2-O 3.13Å; L98-L101 HydrophobicContact CD1-CB 4.1Å; L98-L101 HydrophobicContact CD1-CD1 4.01Å; L98-L101 HydrophobicContact CG-CB 4.07Å; L98-L101 VanDerWaalsContact O-CB 3.28Å; L98-L101 WeakPolarHBondContact O-CB 3.39Å; L98-L101 WeakPolarHBondContact O-CG 3.46Å; L98-L101 PolarHBondContact O-N 3.02Å; G99-L101 VanDerWaalsContact C-N 3.33Å; L101-I202 HydrophobicContact CD2-CG2 3.8Å; L101-L235 HydrophobicContact CD1-CB 4.19Å; L101-L235 HydrophobicContact CD2-CB 3.89Å; L101-L235 HydrophobicContact CD2-CD2 3.65Å; L101-L235 HydrophobicContact CD2-CG 4.41Å; L101-N277 HydrophobicContact CD1-CB 4.49Å; L101-N277 WeakPolarHBondContact CD1-OD1 3.41Å; L101-F300 HydrophobicContact CD1-CZ 3.84Å; L101-F300 HydrophobicContact CD2-CE2 4.43Å; L101-F300 HydrophobicContact CD2-CZ 4.24Å |
| 102 | G | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 169 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y187 I202 P204 | G102-Y187 VanDerWaalsContact C-OH 3.27Å; G102-Y187 WeakPolarHBondContact CA-OH 3.42Å; G102-I202 PolarHBondContact N-O 3.04Å; G102-P204 WeakPolarHBondContact O-CD 3.18Å |
| 103 | P | 97.1 | Very high | 94.6 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 5% | 0.052 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -58.4 | 148.9 | 175.8 | 27.1 | -37.3 | 0 | 0 | 0 | 112.9 | I32 E82 L105 Y187 | I32-P103 HydrophobicContact CD1-CG 3.94Å; I32-P103 HydrophobicContact CG1-CG 4.12Å; E82-P103 HydrophobicContact CB-CB 3.61Å; E82-P103 HydrophobicContact CB-CG 3.85Å; E82-P103 HydrophobicContact CG-CB 4.42Å; P103-L105 PolarHBondContact O-N 2.8Å; P103-Y187 WeakPolarHBondContact CD-OH 3.17Å; P103-Y187 WeakPolarHBondContact CG-OH 3.39Å; P103-Y187 VanDerWaalsContact N-OH 3.09Å; P103-Y187 WeakPolarHBondContact O-CE1 3.29Å; P103-Y187 PolarHBondContact O-OH 3.32Å |
| 104 | I | 95.9 | Very high | 95 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 7% | 0.072 | 12% | 0.117 | C | C | . | . | trans | -80.5 | 108.8 | -178.3 | -54.4 | 156.4 | 0 | 0 | 0 | 110 | W97 L98 R106 P204 Y233 | W97-I104 HydrophobicContact CH2-CD1 4.14Å; L98-I104 HydrophobicContact CD1-CD1 4.17Å; L98-I104 HydrophobicContact CD1-CG1 3.99Å; L98-I104 HydrophobicContact CD2-CD1 4.19Å; L98-I104 HydrophobicContact CD2-CG1 4.01Å; I104-R106 HydrophobicContact CG2-CG 4.17Å; I104-R106 VanDerWaalsContact CG2-NH2 3.33Å; I104-R106 PolarHBondContact O-NH1 3.39Å; I104-P204 HydrophobicContact CB-CG 4.22Å; I104-P204 HydrophobicContact CG1-CG 3.71Å; I104-P204 HydrophobicContact CG2-CG 4.32Å; I104-Y233 HydrophobicContact CD1-CD2 3.71Å; I104-Y233 HydrophobicContact CD1-CE2 3.7Å; I104-Y233 HydrophobicContact CD1-CG 4.44Å; I104-Y233 HydrophobicContact CG1-CD2 4.18Å; I104-Y233 HydrophobicContact CG1-CE2 4.24Å; I104-Y233 HydrophobicContact CG1-CG 4.45Å; I104-Y233 HydrophobicContact CG2-CD1 4.31Å; I104-Y233 HydrophobicContact CG2-CD2 4.46Å; I104-Y233 HydrophobicContact CG2-CE1 3.69Å; I104-Y233 HydrophobicContact CG2-CE2 3.87Å; I104-Y233 VanDerWaalsContact CG2-CZ 3.42Å | ||
| 105 | L | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 135.8 | 178 | -58.8 | -174.2 | 0 | 0 | 0 | 110.7 | Y30 I32 P103 I115 W167 Y187 P204 L205 I206 | Y30-L105 HydrophobicContact CD1-CD2 3.47Å; Y30-L105 VanDerWaalsContact CD1-CD2 3.47Å; Y30-L105 HydrophobicContact CD2-CD2 3.88Å; Y30-L105 HydrophobicContact CE1-CD2 3.64Å; Y30-L105 HydrophobicContact CE2-CD2 4.04Å; Y30-L105 HydrophobicContact CG-CD2 3.59Å; I32-L105 HydrophobicContact CD1-CD2 4.17Å; P103-L105 PolarHBondContact O-N 2.8Å; L105-I115 HydrophobicContact CD1-CD1 3.6Å; L105-W167 HydrophobicContact CD1-CZ3 3.92Å; L105-Y187 HydrophobicContact CB-CE1 4.32Å; L105-Y187 HydrophobicContact CD1-CD1 3.57Å; L105-Y187 HydrophobicContact CD1-CE1 3.48Å; L105-Y187 VanDerWaalsContact CD1-CE1 3.48Å; L105-Y187 HydrophobicContact CD1-CG 4.21Å; L105-Y187 HydrophobicContact CG-CD1 4.06Å; L105-Y187 HydrophobicContact CG-CE1 3.53Å; L105-P204 PolarHBondContact N-O 3.25Å; L105-L205 HydrophobicContact CB-CB 4.41Å; L105-L205 HydrophobicContact CB-CD1 3.41Å; L105-L205 VanDerWaalsContact CB-CD1 3.41Å; L105-L205 HydrophobicContact CD1-CD1 4.28Å; L105-L205 HydrophobicContact CG-CD1 4.5Å; L105-L205 CarbonylContact O-C 3.56Å; L105-L205 WeakPolarHBondContact O-CA 3.38Å; L105-I206 PolarHBondContact O-N 2.9Å |
| 106 | R | 93.9 | Very high | 95.6 | Very high | 55 Ų | 55 | 21.1 Ų | 21.1 | 21% | 0.208 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 138.2 | -176.5 | -51.8 | -175.3 | 175 | 77.1 | -6.6 | 111 | R28 Y30 I104 I206 L213 | R28-R106 WeakPolarHBondContact CD-O 3.33Å; Y30-R106 PolarHBondContact OH-N 2.82Å; Y30-R106 VanDerWaalsContact OH-N 3.15Å; Y30-R106 PolarHBondContact OH-O 2.83Å; Y30-R106 VanDerWaalsContact OH-O 3.12Å; I104-R106 HydrophobicContact CG2-CG 4.17Å; I104-R106 VanDerWaalsContact CG2-NH2 3.33Å; I104-R106 PolarHBondContact O-NH1 3.39Å; R106-I206 HydrophobicContact CB-CD1 4.39Å; R106-I206 HydrophobicContact CB-CG1 4.04Å; R106-I206 HydrophobicContact CG-CD1 3.93Å; R106-I206 HydrophobicContact CG-CG1 3.72Å; R106-L213 HydrophobicContact CB-CD1 3.91Å |
| 107 | A | 93.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 157 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D111 I113 V169 I206 T207 C208 | A107-D111 HydrophobicContact CB-CB 4.03Å; A107-I113 HydrophobicContact CB-CD1 3.65Å; A107-I113 HydrophobicContact CB-CG1 3.68Å; A107-V169 HydrophobicContact CB-CG2 3.4Å; A107-I206 PolarHBondContact N-O 2.82Å; A107-I206 VanDerWaalsContact N-O 3.09Å; A107-T207 CarbonylContact O-C 3.56Å; A107-T207 WeakPolarHBondContact O-CA 3.38Å; A107-C208 PolarHBondContact O-N 3.03Å |
| 108 | E | 93.7 | Very high | 96.1 | Very high | 17 Ų | 17 | 16.5 Ų | 16.5 | 8% | 0.079 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 171.4 | 173.4 | -46.9 | -165.1 | 112.9 | 0 | 0 | 111.2 | D110 D111 V169 C208 G211 I212 L213 | E108-D110 PolarHBondContact O-N 3.33Å; E108-D111 PolarHBondContact N-OD2 3.48Å; E108-D111 WeakPolarHBondContact O-CB 3.49Å; E108-D111 PolarHBondContact O-N 3.44Å; E108-V169 VanDerWaalsContact O-CB 3.22Å; E108-V169 WeakPolarHBondContact O-CB 3.43Å; E108-V169 WeakPolarHBondContact O-CG1 3.37Å; E108-C208 VanDerWaalsContact CA-O 3.31Å; E108-C208 WeakPolarHBondContact CA-O 3.39Å; E108-C208 HydrophobicContact CG-CB 4.23Å; E108-G211 VanDerWaalsContact CD-N 3.3Å; E108-G211 PolarHBondContact OE1-N 2.75Å; E108-G211 PolarHBondContact OE2-N 2.72Å; E108-G211 VanDerWaalsContact OE2-N 3.1Å; E108-I212 WeakPolarHBondContact OE1-CA 3.26Å; E108-I212 PolarHBondContact OE1-N 2.92Å; E108-L213 HydrophobicContact CG-CB 3.94Å; E108-L213 HydrophobicContact CG-CD1 3.54Å; E108-L213 HydrophobicContact CG-CG 3.6Å; E108-L213 PolarHBondContact OE1-N 3.35Å |
| 109 | L | 93.8 | Very high | 96.2 | Very high | 38 Ų | 38 | 16.4 Ų | 16.4 | 20% | 0.199 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.7 | 129.7 | 168.6 | -175.8 | 57.8 | 0 | 0 | 0 | 112.9 | D111 P171 V174 C208 K210 | L109-D111 PolarHBondContact O-N 2.69Å; L109-P171 HydrophobicContact CD1-CB 4.14Å; L109-P171 HydrophobicContact CD1-CG 3.96Å; L109-V174 HydrophobicContact CB-CG1 3.85Å; L109-V174 HydrophobicContact CD1-CG1 3.74Å; L109-V174 HydrophobicContact CD1-CG2 4.08Å; L109-V174 HydrophobicContact CG-CG1 4.37Å; L109-C208 PolarHBondContact N-O 2.79Å; L109-C208 VanDerWaalsContact N-O 3.17Å; L109-K210 HydrophobicContact CB-CB 4.07Å; L109-K210 HydrophobicContact CD2-CB 4.42Å; L109-K210 HydrophobicContact CD2-CD 4.49Å |
| 110 | D | 92.6 | Very high | 96.4 | Very high | 59 Ų | 59 | 20.2 Ų | 20.2 | 32% | 0.316 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | -1.5 | -179.2 | -47.3 | -44.9 | 0 | 0 | 0 | 115.6 | S25 E108 V169 K210 | S25-D110 WeakPolarHBondContact CA-O 3.32Å; S25-D110 WeakPolarHBondContact CB-O 3.5Å; S25-D110 PolarHBondContact OG-O 3.39Å; E108-D110 PolarHBondContact O-N 3.33Å; D110-V169 PolarHBondContact N-O 3.28Å; D110-K210 IonicContact OD2-NZ 3.07Å; D110-K210 PolarHBondContact OD2-NZ 3.42Å |
| 111 | D | 94.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 20.3 Ų | 20.3 | 6% | 0.064 | 10% | 0.096 | C | C | . | . | trans | -73.5 | 154.2 | 172 | -67.1 | -16.5 | 0 | 0 | 0 | 111.1 | R26 R28 A107 E108 L109 V169 | R26-D111 WeakPolarHBondContact CB-OD1 3.31Å; R26-D111 WeakPolarHBondContact O-CA 3.28Å; R28-D111 IonicContact CZ-OD2 3.75Å; R28-D111 IonicContact NE-OD2 3.24Å; R28-D111 PolarHBondContact NE-OD2 3.42Å; R28-D111 IonicContact NH2-OD2 2.78Å; R28-D111 PolarHBondContact NH2-OD2 2.79Å; A107-D111 HydrophobicContact CB-CB 4.03Å; E108-D111 PolarHBondContact N-OD2 3.48Å; E108-D111 WeakPolarHBondContact O-CB 3.49Å; E108-D111 PolarHBondContact O-N 3.44Å; L109-D111 PolarHBondContact O-N 2.69Å; D111-V169 HydrophobicContact CB-CG2 4.49Å; D111-V169 PolarHBondContact O-N 3.31Å | ||
| 112 | V | 95.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.03 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.7 | 172 | 175.9 | 0 | 0 | 0 | 0 | 108.3 | S25 R26 E27 R28 I114 R166 W167 E168 | S25-V112 VanDerWaalsContact OG-CG2 3.25Å; S25-V112 WeakPolarHBondContact OG-CG2 3.4Å; R26-V112 PolarHBondContact O-N 3.23Å; E27-V112 CarbonylContact C-O 3.53Å; E27-V112 WeakPolarHBondContact CA-O 3.24Å; R28-V112 PolarHBondContact N-O 2.85Å; V112-I114 HydrophobicContact CG1-CD1 3.71Å; V112-I114 HydrophobicContact CG1-CG1 4.24Å; V112-R166 HydrophobicContact CG1-CG 3.8Å; V112-W167 CarbonylContact C-O 3.55Å; V112-W167 WeakPolarHBondContact CA-O 3.45Å; V112-E168 HydrophobicContact CG2-CG 4.26Å |
| 113 | I | 96.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.1 | 172.8 | -55.9 | -178.6 | 0 | 0 | 0 | 107.9 | R28 Y30 A107 I115 L132 R166 W167 L205 | R28-I113 WeakPolarHBondContact O-CA 3.12Å; Y30-I113 HydrophobicContact CD2-CG2 3.86Å; Y30-I113 HydrophobicContact CE2-CG2 3.96Å; A107-I113 HydrophobicContact CB-CD1 3.65Å; A107-I113 HydrophobicContact CB-CG1 3.68Å; I113-I115 HydrophobicContact CG2-CD1 4.22Å; I113-I115 HydrophobicContact CG2-CG1 3.79Å; I113-L132 HydrophobicContact CD1-CD1 3.91Å; I113-R166 WeakPolarHBondContact O-CA 3.22Å; I113-W167 HydrophobicContact CB-CB 4.38Å; I113-W167 HydrophobicContact CB-CE3 4.38Å; I113-W167 HydrophobicContact CG2-CE3 4.12Å; I113-W167 PolarHBondContact N-O 3.14Å; I113-W167 PolarHBondContact O-N 2.93Å; I113-L205 HydrophobicContact CD1-CD1 3.73Å |
| 114 | I | 97.8 | Very high | 96.3 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 10% | 0.097 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.4 | 172.3 | -56 | -62.8 | 0 | 0 | 0 | 107.5 | R28 I29 Y30 V112 T164 Y165 R166 | R28-I114 PolarHBondContact O-N 3.21Å; I29-I114 CarbonylContact C-O 3.59Å; I29-I114 WeakPolarHBondContact CA-O 3.4Å; I29-I114 HydrophobicContact CG1-CB 4.31Å; Y30-I114 PolarHBondContact N-O 2.95Å; V112-I114 HydrophobicContact CG1-CD1 3.71Å; V112-I114 HydrophobicContact CG1-CG1 4.24Å; I114-T164 HydrophobicContact CG2-CG2 3.7Å; I114-Y165 WeakPolarHBondContact CA-O 3.42Å; I114-R166 HydrophobicContact CD1-CB 3.91Å; I114-R166 HydrophobicContact CD1-CG 3.55Å |
| 115 | I | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 115.7 | 177.4 | -56.4 | -173.6 | 0 | 0 | 0 | 108.6 | I32 L105 I113 L117 I127 T164 Y165 W167 | I32-I115 HydrophobicContact CB-CG2 4.26Å; I32-I115 HydrophobicContact CD1-CD1 4.23Å; I32-I115 HydrophobicContact CD1-CG2 3.75Å; I32-I115 HydrophobicContact CG1-CG2 4.03Å; L105-I115 HydrophobicContact CD1-CD1 3.6Å; I113-I115 HydrophobicContact CG2-CD1 4.22Å; I113-I115 HydrophobicContact CG2-CG1 3.79Å; I115-L117 HydrophobicContact CG2-CB 4.43Å; I115-L117 PolarHBondContact O-N 2.83Å; I115-I127 HydrophobicContact CD1-CD1 3.84Å; I115-I127 HydrophobicContact CG2-CD1 4.39Å; I115-T164 CarbonylContact O-C 3.59Å; I115-T164 VanDerWaalsContact O-CA 3.23Å; I115-T164 WeakPolarHBondContact O-CA 3.44Å; I115-Y165 PolarHBondContact N-O 3.02Å; I115-Y165 PolarHBondContact O-N 3Å; I115-W167 HydrophobicContact CD1-CD2 4.49Å; I115-W167 HydrophobicContact CD1-CE3 3.8Å; I115-W167 HydrophobicContact CD1-CH2 3.26Å; I115-W167 HydrophobicContact CD1-CZ2 4Å; I115-W167 HydrophobicContact CD1-CZ3 3.14Å; I115-W167 HydrophobicContact CG1-CH2 4.48Å; I115-W167 HydrophobicContact CG1-CZ3 4.26Å |
| 116 | H | 98.4 | Very high | 96.5 | Very high | 46 Ų | 46 | 28.1 Ų | 28.1 | 21% | 0.213 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 100.3 | 164.3 | -60.2 | -66.5 | 0 | 0 | 0 | 107.7 | Y30 Y31 I32 Y88 T164 | Y30-H116 PolarHBondContact O-N 2.85Å; Y31-H116 HydrophobicContact CD1-CB 3.63Å; Y31-H116 AromaticContact CD1-CD2 3.71Å; Y31-H116 AromaticContact CD1-CG 3.96Å; Y31-H116 HydrophobicContact CE1-CB 3.97Å; Y31-H116 AromaticContact CE1-CD2 3.22Å; Y31-H116 WeakPolarHBondContact CE1-CD2 3.31Å; Y31-H116 AromaticContact CE1-CG 3.77Å; Y31-H116 AromaticContact CZ-CD2 3.79Å; I32-H116 PolarHBondContact N-O 3.49Å; Y88-H116 PolarHBondContact OH-O 2.78Å; H116-T164 PolarHBondContact ND1-OG1 3.08Å |
| 117 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 135.8 | 176.7 | -173.6 | 68.4 | 0 | 0 | 0 | 109.3 | I32 I34 Y80 I115 I127 V157 S162 Y163 Y165 | I32-L117 HydrophobicContact CB-CD1 4.17Å; I32-L117 HydrophobicContact CG2-CD1 4.05Å; I32-L117 CarbonylContact O-C 3.58Å; I32-L117 VanDerWaalsContact O-CA 3.31Å; I32-L117 WeakPolarHBondContact O-CA 3.28Å; I34-L117 HydrophobicContact CD1-CD1 4.02Å; I34-L117 HydrophobicContact CD1-CD2 4.12Å; I34-L117 HydrophobicContact CD1-CG 4.38Å; I34-L117 HydrophobicContact CG1-CD1 3.97Å; Y80-L117 HydrophobicContact CD1-CD1 4.41Å; Y80-L117 HydrophobicContact CE1-CD1 4.16Å; I115-L117 HydrophobicContact CG2-CB 4.43Å; I115-L117 PolarHBondContact O-N 2.83Å; L117-I127 HydrophobicContact CD2-CB 4.21Å; L117-I127 HydrophobicContact CD2-CG2 3.91Å; L117-V157 HydrophobicContact CD2-CG2 4.08Å; L117-S162 CarbonylContact O-C 3.44Å; L117-S162 WeakPolarHBondContact O-CA 3.42Å; L117-S162 WeakPolarHBondContact O-CB 3.41Å; L117-Y163 PolarHBondContact N-O 2.74Å; L117-Y163 PolarHBondContact O-N 2.78Å; L117-Y165 HydrophobicContact CB-CD2 4.17Å; L117-Y165 HydrophobicContact CB-CE2 3.83Å; L117-Y165 HydrophobicContact CD2-CE2 3.71Å; L117-Y165 HydrophobicContact CG-CE2 4.43Å |
| 118 | K | 98.6 | Very high | 97 | Very high | 64 Ų | 64 | 25.5 Ų | 25.5 | 28% | 0.278 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.6 | 167.1 | -175.1 | 164.5 | 176.9 | -176.6 | 0 | 110.5 | I32 G33 I34 Y88 F120 | I32-K118 PolarHBondContact O-N 2.93Å; G33-K118 CarbonylContact C-O 3.57Å; G33-K118 VanDerWaalsContact CA-O 3.26Å; G33-K118 WeakPolarHBondContact CA-O 3.42Å; I34-K118 PolarHBondContact N-O 3.28Å; Y88-K118 HydrophobicContact CD1-CB 4.24Å; Y88-K118 HydrophobicContact CD2-CD 3.97Å; Y88-K118 HydrophobicContact CE1-CB 3.68Å; Y88-K118 HydrophobicContact CE2-CB 4.12Å; Y88-K118 HydrophobicContact CE2-CD 3.95Å; Y88-K118 HydrophobicContact CG-CD 4.36Å; K118-F120 HydrophobicContact CB-CE2 4Å; K118-F120 HydrophobicContact CB-CZ 4.18Å; K118-F120 HydrophobicContact CD-CE1 3.7Å; K118-F120 HydrophobicContact CD-CE2 4.11Å; K118-F120 HydrophobicContact CD-CZ 3.43Å; K118-F120 VanDerWaalsContact CD-CZ 3.43Å; K118-F120 HydrophobicContact CG-CD1 4.49Å; K118-F120 HydrophobicContact CG-CD2 4.39Å; K118-F120 HydrophobicContact CG-CE1 4.02Å; K118-F120 HydrophobicContact CG-CE2 3.89Å; K118-F120 HydrophobicContact CG-CZ 3.7Å |
| 119 | N | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 111.7 | -179.9 | -173.1 | 2.5 | 0 | 0 | 0 | 110.4 | A121 R123 V157 G160 C161 | N119-A121 WeakPolarHBondContact OD1-CB 3.47Å; N119-A121 PolarHBondContact OD1-N 3.2Å; N119-R123 PolarHBondContact ND2-O 3.39Å; N119-V157 HydrophobicContact CB-CG1 4.05Å; N119-V157 PolarHBondContact ND2-O 3.34Å; N119-G160 VanDerWaalsContact O-CA 3.31Å; N119-G160 WeakPolarHBondContact O-CA 3.41Å; N119-G160 PolarHBondContact O-N 3.48Å; N119-C161 PolarHBondContact N-O 3.32Å |
| 120 | F | 98.4 | Very high | 97.4 | Very high | 84 Ų | 84 | 23 Ų | 23 | 37% | 0.368 | 11% | 0.114 | S | C | . | . | trans | -101.3 | -3.6 | 174 | -56.4 | -82.9 | 0 | 0 | 0 | 113 | I34 I35 Y83 Y88 K118 | I34-F120 CarbonylContact O-C 3.49Å; I34-F120 WeakPolarHBondContact O-CA 3.42Å; I34-F120 VanDerWaalsContact O-CB 3.25Å; I34-F120 WeakPolarHBondContact O-CB 3.39Å; I34-F120 PolarHBondContact O-N 2.89Å; I35-F120 HydrophobicContact CG2-CB 4.37Å; I35-F120 HydrophobicContact CG2-CD2 4.14Å; Y83-F120 HydrophobicContact CE2-CE2 4.43Å; Y88-F120 AromaticContact CD1-CE2 3.94Å; Y88-F120 HydrophobicContact CD1-CE2 3.94Å; Y88-F120 HydrophobicContact CD1-CZ 4.05Å; Y88-F120 HydrophobicContact CG-CE2 4.21Å; Y88-F120 AromaticContact CG-CZ 3.85Å; Y88-F120 HydrophobicContact CG-CZ 3.85Å; K118-F120 HydrophobicContact CB-CE2 4Å; K118-F120 HydrophobicContact CB-CZ 4.18Å; K118-F120 HydrophobicContact CD-CE1 3.7Å; K118-F120 HydrophobicContact CD-CE2 4.11Å; K118-F120 HydrophobicContact CD-CZ 3.43Å; K118-F120 VanDerWaalsContact CD-CZ 3.43Å; K118-F120 HydrophobicContact CG-CD1 4.49Å; K118-F120 HydrophobicContact CG-CD2 4.39Å; K118-F120 HydrophobicContact CG-CE1 4.02Å; K118-F120 HydrophobicContact CG-CE2 3.89Å; K118-F120 HydrophobicContact CG-CZ 3.7Å | ||
| 121 | A | 97.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 5% | 0.05 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -72.3 | 170.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | I34 E36 N119 R123 Y125 P159 | I34-A121 HydrophobicContact CG2-CB 3.97Å; I34-A121 PolarHBondContact O-N 2.95Å; E36-A121 HydrophobicContact CG-CB 3.85Å; E36-A121 WeakPolarHBondContact OE1-CB 3.44Å; N119-A121 WeakPolarHBondContact OD1-CB 3.47Å; N119-A121 PolarHBondContact OD1-N 3.2Å; A121-R123 VanDerWaalsContact C-N 3.34Å; A121-Y125 HydrophobicContact CB-CD2 4.01Å; A121-Y125 HydrophobicContact CB-CE2 3.78Å; A121-P159 WeakPolarHBondContact O-CB 3.25Å |
| 122 | N | 96.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 19.8 Ų | 19.8 | 52% | 0.519 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -84.3 | -7.2 | -177.1 | 72.1 | 11.6 | 0 | 0 | 0 | 114 | E36 P159 | E36-N122 PolarHBondContact OE1-N 2.84Å; E36-N122 PolarHBondContact OE1-ND2 2.83Å; E36-N122 PolarHBondContact OE1-OD1 2.66Å; N122-P159 VanDerWaalsContact C-CG 3.46Å; N122-P159 WeakPolarHBondContact O-CG 3.49Å |
| 123 | R | 96.2 | Very high | 97.5 | Very high | 52 Ų | 52 | 19.9 Ų | 19.9 | 20% | 0.196 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -129 | 163.4 | 179.1 | 76.1 | -177.9 | -52 | -78.6 | 4.3 | 112.1 | N119 A121 Y125 D196 W245 | N119-R123 PolarHBondContact ND2-O 3.39Å; A121-R123 VanDerWaalsContact C-N 3.34Å; R123-Y125 VanDerWaalsContact CD-CZ 3.42Å; R123-Y125 VanDerWaalsContact CD-OH 3.3Å; R123-Y125 WeakPolarHBondContact CD-OH 3.31Å; R123-Y125 HydrophobicContact CG-CD1 4.45Å; R123-Y125 HydrophobicContact CG-CD2 3.93Å; R123-Y125 HydrophobicContact CG-CE1 3.97Å; R123-Y125 HydrophobicContact CG-CE2 3.38Å; R123-Y125 HydrophobicContact CG-CG 4.46Å; R123-Y125 VanDerWaalsContact CG-CZ 3.44Å; R123-D196 IonicContact NH1-OD1 2.7Å; R123-D196 PolarHBondContact NH1-OD1 3.4Å; R123-W245 VanDerWaalsContact CZ-CD2 3.46Å |
| 124 | S | 97.4 | Very high | 97.4 | Very high | 37 Ų | 37 | 20.1 Ų | 20.1 | 26% | 0.259 | 10% | 0.098 | S | C | . | . | trans | -68.5 | 144.7 | 174.4 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | S156 V157 I191 | S124-S156 VanDerWaalsContact CB-OG 3.31Å; S124-S156 WeakPolarHBondContact CB-OG 3.12Å; S124-V157 WeakPolarHBondContact CA-O 3.33Å; S124-I191 WeakPolarHBondContact O-CD1 3.46Å | ||
| 125 | Y | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | B | Isolated β-bridge | trans | -148 | 170.3 | 175 | -73.4 | -59.5 | 0 | 0 | 0 | 109.2 | I34 A78 A121 R123 V157 I191 D196 L201 W245 Y246 | I34-Y125 HydrophobicContact CD1-CD2 4.5Å; I34-Y125 HydrophobicContact CD1-CG 4.41Å; I34-Y125 HydrophobicContact CG2-CD2 3.78Å; I34-Y125 HydrophobicContact CG2-CE2 4.22Å; A78-Y125 HydrophobicContact CB-CE2 3.77Å; A78-Y125 WeakPolarHBondContact CB-OH 3.48Å; A121-Y125 HydrophobicContact CB-CD2 4.01Å; A121-Y125 HydrophobicContact CB-CE2 3.78Å; R123-Y125 VanDerWaalsContact CD-CZ 3.42Å; R123-Y125 VanDerWaalsContact CD-OH 3.3Å; R123-Y125 WeakPolarHBondContact CD-OH 3.31Å; R123-Y125 HydrophobicContact CG-CD1 4.45Å; R123-Y125 HydrophobicContact CG-CD2 3.93Å; R123-Y125 HydrophobicContact CG-CE1 3.97Å; R123-Y125 HydrophobicContact CG-CE2 3.38Å; R123-Y125 HydrophobicContact CG-CG 4.46Å; R123-Y125 VanDerWaalsContact CG-CZ 3.44Å; Y125-V157 PolarHBondContact N-O 3.3Å; Y125-V157 WeakPolarHBondContact O-CA 3.39Å; Y125-V157 VanDerWaalsContact O-CB 3.29Å; Y125-V157 WeakPolarHBondContact O-CB 3.46Å; Y125-V157 PolarHBondContact O-N 2.68Å; Y125-I191 VanDerWaalsContact CA-CD1 3.48Å; Y125-D196 HydrophobicContact CE1-CB 4.5Å; Y125-D196 WeakPolarHBondContact CE1-OD1 3.47Å; Y125-L201 HydrophobicContact CD1-CD1 3.2Å; Y125-L201 HydrophobicContact CD2-CD1 3.69Å; Y125-L201 HydrophobicContact CE1-CD1 3.39Å; Y125-L201 HydrophobicContact CE2-CD1 3.84Å; Y125-L201 HydrophobicContact CG-CD1 3.33Å; Y125-W245 AromaticContact CE1-CD1 3.96Å; Y125-Y246 PolarHBondContact OH-OH 3.37Å; Y125-Y246 VanDerWaalsContact OH-OH 3.08Å |
| 126 | S | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -133.7 | -169.9 | 177.6 | 70.4 | 0 | 0 | 0 | 0 | 111.1 | Y80 G140 D155 S189 H190 | Y80-S126 PolarHBondContact OH-O 2.89Å; S126-G140 WeakPolarHBondContact CB-O 2.94Å; S126-G140 PolarHBondContact OG-O 2.99Å; S126-D155 WeakPolarHBondContact CB-O 3.41Å; S126-S189 PolarHBondContact N-OG 2.88Å; S126-S189 WeakPolarHBondContact O-CA 3.35Å; S126-S189 WeakPolarHBondContact O-CB 3.39Å; S126-H190 PolarHBondContact OG-N 3.45Å | ||
| 127 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -145.3 | 120.9 | 167 | -169 | 179.5 | 0 | 0 | 0 | 109.7 | I32 Y80 I115 L117 Y165 W167 Y187 H188 | I32-I127 HydrophobicContact CD1-CD1 4.25Å; Y80-I127 HydrophobicContact CE1-CB 4.44Å; Y80-I127 HydrophobicContact CE1-CD1 4.37Å; Y80-I127 HydrophobicContact CE1-CG1 4.38Å; I115-I127 HydrophobicContact CD1-CD1 3.84Å; I115-I127 HydrophobicContact CG2-CD1 4.39Å; L117-I127 HydrophobicContact CD2-CB 4.21Å; L117-I127 HydrophobicContact CD2-CG2 3.91Å; I127-Y165 HydrophobicContact CG2-CD1 3.9Å; I127-Y165 HydrophobicContact CG2-CD2 3.37Å; I127-Y165 HydrophobicContact CG2-CE1 3.79Å; I127-Y165 HydrophobicContact CG2-CE2 3.26Å; I127-Y165 HydrophobicContact CG2-CG 3.71Å; I127-Y165 VanDerWaalsContact CG2-CZ 3.49Å; I127-Y165 WeakPolarHBondContact O-CE1 3.33Å; I127-W167 HydrophobicContact CD1-CH2 3.91Å; I127-W167 HydrophobicContact CG1-CH2 3.94Å; I127-W167 HydrophobicContact CG1-CZ2 4.37Å; I127-W167 HydrophobicContact CG2-CH2 4.44Å; I127-W167 HydrophobicContact CG2-CZ2 4.16Å; I127-Y187 HydrophobicContact CD1-CD2 3.44Å; I127-Y187 VanDerWaalsContact CD1-CD2 3.44Å; I127-Y187 HydrophobicContact CD1-CE2 3.77Å; I127-Y187 HydrophobicContact CD1-CG 4.17Å; I127-Y187 HydrophobicContact CG1-CD2 3.56Å; I127-Y187 HydrophobicContact CG1-CE2 4.31Å; I127-Y187 HydrophobicContact CG1-CG 4.24Å; I127-H188 CarbonylContact C-O 3.6Å; I127-H188 WeakPolarHBondContact CA-O 3.41Å | ||
| 128 | H | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.4 | -175.7 | 172.4 | 70.3 | 0 | 0 | 0 | 110.4 | Y134 E139 Y187 H188 H190 H1001 H1003 | H128-Y134 AromaticContact CE1-CZ 4Å; H128-Y134 PolarHBondContact CE1-OH 2.84Å; H128-Y134 VanDerWaalsContact CE1-OH 3.23Å; H128-E139 VanDerWaalsContact CA-O 3.3Å; H128-E139 WeakPolarHBondContact CA-O 3.46Å; H128-E139 PolarHBondContact ND1-O 2.91Å; H128-Y187 CarbonylContact O-C 3.51Å; H128-Y187 WeakPolarHBondContact O-CA 3.4Å; H128-Y187 VanDerWaalsContact O-CB 3.25Å; H128-Y187 WeakPolarHBondContact O-CB 3.29Å; H128-H188 WeakPolarHBondContact CB-O 3.26Å; H128-H188 AromaticContact CD2-NE2 3.89Å; H128-H188 PolarHBondContact N-O 3.1Å; H128-H188 PolarHBondContact O-N 2.89Å; H128-H190 HydrophobicContact CB-CB 3.77Å; H128-H190 AromaticContact CD2-CD2 3.77Å; H128-H190 AromaticContact CG-CD2 3.97Å; H128-H1001 AromaticContact NE2-NE2 3.58Å; H128-H1003 AromaticContact CE1-CE1 3.56Å; H128-H1003 AromaticContact CE1-ND1 3.53Å; H128-H1003 AromaticContact NE2-CE1 3.81Å |
| 129 | P | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 146.6 | 179.5 | 37.2 | -34.6 | 0 | 0 | 0 | 113.5 | L132 Y134 W167 | P129-L132 HydrophobicContact CB-CB 4.45Å; P129-L132 HydrophobicContact CB-CD1 4.08Å; P129-Y134 HydrophobicContact CG-CD1 3.51Å; P129-Y134 HydrophobicContact CG-CE1 3.71Å; P129-Y134 HydrophobicContact CG-CG 4.33Å; P129-W167 HydrophobicContact CB-CD2 3.82Å; P129-W167 HydrophobicContact CB-CE3 3.77Å; P129-W167 HydrophobicContact CB-CH2 3.69Å; P129-W167 HydrophobicContact CB-CZ2 3.8Å; P129-W167 HydrophobicContact CB-CZ3 3.67Å; P129-W167 VanDerWaalsContact CD-CZ2 3.5Å; P129-W167 HydrophobicContact CG-CD2 3.68Å; P129-W167 HydrophobicContact CG-CE3 4.17Å; P129-W167 HydrophobicContact CG-CG 4.05Å; P129-W167 HydrophobicContact CG-CH2 4.09Å; P129-W167 HydrophobicContact CG-CZ2 3.64Å; P129-W167 HydrophobicContact CG-CZ3 4.33Å |
| 130 | H | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -92.2 | 159.2 | 162 | -76.6 | -106.2 | 0 | 0 | 0 | 111.8 | L132 W185 I186 H188 L205 F335 H1001 D1018 H1045 | H130-L132 PolarHBondContact O-N 2.94Å; H130-L132 VanDerWaalsContact O-N 3.1Å; H130-W185 HydrophobicContact CB-CB 4.06Å; H130-W185 HydrophobicContact CB-CE3 4.47Å; H130-I186 HydrophobicContact CB-CG1 4.44Å; H130-I186 WeakPolarHBondContact CB-O 3.32Å; H130-I186 PolarHBondContact N-O 3.06Å; H130-H188 AromaticContact NE2-CD2 3.84Å; H130-H188 AromaticContact NE2-NE2 3.41Å; H130-H188 PolarHBondContact NE2-NE2 3.13Å; H130-L205 WeakPolarHBondContact O-CD2 3.39Å; H130-F335 HydrophobicContact CB-CE2 4.22Å; H130-F335 HydrophobicContact CB-CZ 4.37Å; H130-F335 AromaticContact CG-CZ 3.93Å; H130-F335 AromaticContact ND1-CE2 3.6Å; H130-F335 AromaticContact ND1-CZ 3.64Å; H130-H1001 AromaticContact CE1-CD2 3.64Å; H130-H1001 AromaticContact CE1-CE1 3.33Å; H130-H1001 PolarHBondContact CE1-CE1 3.27Å; H130-H1001 AromaticContact CE1-CG 3.71Å; H130-H1001 AromaticContact CE1-ND1 3.51Å; H130-H1001 AromaticContact CE1-NE2 3.43Å; H130-H1001 PolarHBondContact CE1-NE2 3.3Å; H130-H1001 AromaticContact ND1-CE1 3.32Å; H130-H1001 PolarHBondContact ND1-CE1 2.77Å; H130-H1001 VanDerWaalsContact ND1-CE1 3.32Å; H130-H1001 AromaticContact ND1-ND1 3.62Å; H130-H1001 AromaticContact ND1-NE2 3.83Å; H130-D1018 WeakPolarHBondContact CA-OD2 3.32Å; H130-D1018 WeakPolarHBondContact CB-OD2 3.31Å; H130-D1018 IonicContact CG-OD2 2.87Å; H130-D1018 IonicContact ND1-OD1 3.81Å; H130-D1018 IonicContact ND1-OD2 3.37Å; H130-D1018 PolarHBondContact ND1-OD2 3.2Å; H130-D1018 VanDerWaalsContact ND1-OD2 3.12Å; H130-H1045 AromaticContact CE1-CD2 3.98Å; H130-H1045 AromaticContact CE1-NE2 3.85Å; H130-H1045 AromaticContact NE2-NE2 3.62Å |
| 131 | G | 94.3 | Very high | 96.7 | Very high | 2 Ų | 2 | 19 Ų | 19 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 65 | 15.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | D1018 | G131-D1018 PolarHBondContact N-OD2 2.85Š|
| 132 | L | 94.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -129.4 | 156.9 | -175.1 | -72.6 | 176.7 | 0 | 0 | 0 | 113.2 | I113 P129 H130 Y134 W167 V169 F173 L205 T207 | I113-L132 HydrophobicContact CD1-CD1 3.91Å; P129-L132 HydrophobicContact CB-CB 4.45Å; P129-L132 HydrophobicContact CB-CD1 4.08Å; H130-L132 PolarHBondContact O-N 2.94Å; H130-L132 VanDerWaalsContact O-N 3.1Å; L132-Y134 WeakPolarHBondContact O-CD1 3.3Å; L132-Y134 WeakPolarHBondContact O-CE1 3.36Å; L132-W167 HydrophobicContact CB-CB 4.34Å; L132-W167 HydrophobicContact CD1-CB 3.82Å; L132-W167 HydrophobicContact CD1-CD2 4.21Å; L132-W167 HydrophobicContact CD1-CE3 3.71Å; L132-W167 HydrophobicContact CD1-CG 4.3Å; L132-V169 HydrophobicContact CD2-CB 4.44Å; L132-V169 HydrophobicContact CD2-CG2 3.65Å; L132-F173 VanDerWaalsContact C-CE1 3.42Å; L132-F173 VanDerWaalsContact O-CE1 3.28Å; L132-F173 WeakPolarHBondContact O-CE1 3.37Å; L132-L205 HydrophobicContact CD1-CD1 4.02Å; L132-L205 HydrophobicContact CD1-CD2 3.49Å; L132-L205 VanDerWaalsContact CD1-CD2 3.49Å; L132-L205 HydrophobicContact CD1-CG 4.37Å; L132-L205 HydrophobicContact CG-CD2 3.84Å; L132-T207 HydrophobicContact CD2-CG2 3.51Å; L132-T207 HydrophobicContact CG-CG2 4.25Å |
| 133 | F | 96 | Very high | 96.6 | Very high | 8 Ų | 8 | 17 Ų | 17 | 4% | 0.035 | 8% | 0.084 | C | C | . | . | B | Isolated β-bridge | trans | -85 | 130.2 | 168.5 | -179.8 | -86.6 | 0 | 0 | 0 | 110.1 | K135 W167 E168 R170 F173 N1036 | F133-K135 HydrophobicContact CE1-CG 4.43Å; F133-W167 WeakPolarHBondContact O-CA 3.44Å; F133-E168 HydrophobicContact CB-CB 4.34Å; F133-E168 WeakPolarHBondContact CB-O 3.34Å; F133-E168 HydrophobicContact CD1-CB 4.11Å; F133-E168 HydrophobicContact CD1-CG 4.27Å; F133-E168 PolarHBondContact N-O 3.49Å; F133-E168 VanDerWaalsContact N-O 3.1Å; F133-E168 PolarHBondContact O-N 3.39Å; F133-R170 HydrophobicContact CB-CG 4.02Å; F133-R170 VanDerWaalsContact CD1-CZ 3.5Å; F133-R170 VanDerWaalsContact CD1-NE 3.29Å; F133-R170 VanDerWaalsContact CE2-NH1 3.29Å; F133-R170 HydrophobicContact CG-CG 4.2Å; F133-R170 VanDerWaalsContact CZ-NH1 3.25Å; F133-F173 HydrophobicContact CB-CD1 4.43Å; F133-F173 HydrophobicContact CB-CD2 3.96Å; F133-F173 HydrophobicContact CB-CE1 4.21Å; F133-F173 HydrophobicContact CB-CE2 3.71Å; F133-F173 HydrophobicContact CB-CG 4.31Å; F133-F173 HydrophobicContact CB-CZ 3.84Å; F133-F173 AromaticContact CD2-CE2 3.89Å; F133-F173 HydrophobicContact CD2-CE2 3.89Å; F133-F173 AromaticContact CD2-CZ 3.91Å; F133-F173 HydrophobicContact CD2-CZ 3.91Å; F133-F173 HydrophobicContact CG-CE2 4.28Å; F133-F173 HydrophobicContact CG-CZ 4.39Å; F133-N1036 HydrophobicContact CE2-CB 3.87Å; F133-N1036 VanDerWaalsContact CE2-CG 3.49Å |
| 134 | Y | 95.7 | Very high | 96.6 | Very high | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | trans | -145 | 158 | 173.2 | 49.6 | -95.9 | 0 | 0 | 0 | 110.6 | H128 P129 L132 E139 A1004 N1036 W1040 | H128-Y134 AromaticContact CE1-CZ 4Å; H128-Y134 PolarHBondContact CE1-OH 2.84Å; H128-Y134 VanDerWaalsContact CE1-OH 3.23Å; P129-Y134 HydrophobicContact CG-CD1 3.51Å; P129-Y134 HydrophobicContact CG-CE1 3.71Å; P129-Y134 HydrophobicContact CG-CG 4.33Å; L132-Y134 WeakPolarHBondContact O-CD1 3.3Å; L132-Y134 WeakPolarHBondContact O-CE1 3.36Å; Y134-E139 HydrophobicContact CD2-CB 3.67Å; Y134-E139 HydrophobicContact CD2-CG 4.12Å; Y134-E139 HydrophobicContact CE2-CB 3.58Å; Y134-E139 HydrophobicContact CE2-CG 3.49Å; Y134-E139 VanDerWaalsContact CE2-CG 3.49Å; Y134-A1004 HydrophobicContact CE2-CB 3.88Å; Y134-A1004 WeakPolarHBondContact OH-CA 3.39Å; Y134-A1004 PolarHBondContact OH-N 3Å; Y134-N1036 PolarHBondContact O-ND2 2.95Å; Y134-W1040 HydrophobicContact CD2-CH2 4.44Å; Y134-W1040 HydrophobicContact CD2-CZ3 4.17Å; Y134-W1040 HydrophobicContact CE2-CE3 4.47Å; Y134-W1040 HydrophobicContact CE2-CH2 4.39Å; Y134-W1040 AromaticContact CE2-CZ3 3.74Å; Y134-W1040 HydrophobicContact CE2-CZ3 3.74Å | ||
| 135 | K | 95.1 | Very high | 96.4 | Very high | 119 Ų | 119 | 13.4 Ų | 13.4 | 52% | 0.517 | 7% | 0.066 | S | C | . | . | trans | -89.5 | 165.7 | 171.3 | -68.6 | -178.9 | -179.9 | 179.3 | 0 | 109.4 | F133 N137 S138 E139 | F133-K135 HydrophobicContact CE1-CG 4.43Å; K135-N137 VanDerWaalsContact CB-OD1 3.3Å; K135-N137 WeakPolarHBondContact CB-OD1 3.42Å; K135-N137 PolarHBondContact O-N 2.93Å; K135-N137 VanDerWaalsContact O-N 3.1Å; K135-S138 CarbonylContact O-C 3.56Å; K135-S138 PolarHBondContact O-N 2.67Å; K135-E139 PolarHBondContact O-N 2.72Å | ||
| 136 | K | 94.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 21.6 Ų | 21.6 | 4% | 0.039 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -55.6 | -25.7 | 177.7 | -80.7 | -61.7 | -59.3 | 164.7 | 0 | 115 | S138 E139 Y143 D145 T147 W151 W1040 | K136-S138 VanDerWaalsContact C-N 3.3Å; K136-E139 VanDerWaalsContact CD-OE2 3.29Å; K136-E139 WeakPolarHBondContact CD-OE2 3.43Å; K136-E139 WeakPolarHBondContact CE-OE2 3.46Å; K136-E139 IonicContact NZ-OE2 3.15Å; K136-E139 PolarHBondContact NZ-OE2 3.43Å; K136-Y143 PolarHBondContact NZ-OH 2.83Å; K136-D145 WeakPolarHBondContact CE-OD2 3.47Å; K136-D145 IonicContact NZ-OD2 3.37Å; K136-D145 PolarHBondContact NZ-OD2 3.47Å; K136-T147 HydrophobicContact CB-CG2 4.07Å; K136-T147 HydrophobicContact CD-CG2 4.35Å; K136-T147 VanDerWaalsContact CE-CG2 3.46Å; K136-T147 HydrophobicContact CG-CG2 4.1Å; K136-W151 HydrophobicContact CB-CE3 3.97Å; K136-W151 HydrophobicContact CB-CZ3 4.23Å; K136-W1040 HydrophobicContact CB-CH2 4.49Å; K136-W1040 HydrophobicContact CD-CD2 4.31Å; K136-W1040 HydrophobicContact CD-CE3 3.66Å; K136-W1040 HydrophobicContact CD-CH2 3.54Å; K136-W1040 HydrophobicContact CD-CZ2 4.14Å; K136-W1040 HydrophobicContact CD-CZ3 3.25Å; K136-W1040 HydrophobicContact CG-CH2 3.66Å; K136-W1040 HydrophobicContact CG-CZ2 4.1Å; K136-W1040 HydrophobicContact CG-CZ3 3.94Å |
| 137 | N | 94.6 | Very high | 95.8 | Very high | 55 Ų | 55 | 22.7 Ų | 22.7 | 29% | 0.294 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -93 | 22.6 | 174.8 | 72.7 | -37.8 | 0 | 0 | 0 | 112.9 | K135 W151 D154 Y163 | K135-N137 VanDerWaalsContact CB-OD1 3.3Å; K135-N137 WeakPolarHBondContact CB-OD1 3.42Å; K135-N137 PolarHBondContact O-N 2.93Å; K135-N137 VanDerWaalsContact O-N 3.1Å; N137-W151 HydrophobicContact CB-CB 4.47Å; N137-W151 HydrophobicContact CB-CG 4.48Å; N137-D154 VanDerWaalsContact C-OD2 3.24Å; N137-D154 WeakPolarHBondContact CA-OD1 3.33Å; N137-Y163 PolarHBondContact O-OH 3.21Å |
| 138 | S | 96.4 | Very high | 95.3 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -152.9 | 22.7 | 176.3 | -68.9 | 0 | 0 | 0 | 0 | 110.4 | K135 K136 D154 R166 W167 | K135-S138 CarbonylContact O-C 3.56Å; K135-S138 PolarHBondContact O-N 2.67Å; K136-S138 VanDerWaalsContact C-N 3.3Å; S138-D154 WeakPolarHBondContact CA-OD2 3.22Å; S138-D154 PolarHBondContact N-OD2 3.13Å; S138-R166 PolarHBondContact OG-N 3.36Å; S138-W167 PolarHBondContact O-NE1 2.93Å |
| 139 | E | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -86.7 | -39.2 | 178.5 | 173.3 | 169 | -156 | 0 | 0 | 111.3 | H128 Y134 K135 K136 A141 Y143 D154 H1003 W1040 | H128-E139 VanDerWaalsContact CA-O 3.3Å; H128-E139 WeakPolarHBondContact CA-O 3.46Å; H128-E139 PolarHBondContact ND1-O 2.91Å; Y134-E139 HydrophobicContact CD2-CB 3.67Å; Y134-E139 HydrophobicContact CD2-CG 4.12Å; Y134-E139 HydrophobicContact CE2-CB 3.58Å; Y134-E139 HydrophobicContact CE2-CG 3.49Å; Y134-E139 VanDerWaalsContact CE2-CG 3.49Å; K135-E139 PolarHBondContact O-N 2.72Å; K136-E139 VanDerWaalsContact CD-OE2 3.29Å; K136-E139 WeakPolarHBondContact CD-OE2 3.43Å; K136-E139 WeakPolarHBondContact CE-OE2 3.46Å; K136-E139 IonicContact NZ-OE2 3.15Å; K136-E139 PolarHBondContact NZ-OE2 3.43Å; E139-A141 HydrophobicContact CG-CB 3.89Å; E139-Y143 PolarHBondContact OE1-OH 2.78Å; E139-Y143 PolarHBondContact OE2-OH 3.32Å; E139-D154 PolarHBondContact N-OD2 3.29Å; E139-H1003 IonicContact OE1-CE1 3.08Å; E139-H1003 IonicContact OE1-CG 3.68Å; E139-H1003 IonicContact OE1-ND1 2.78Å; E139-H1003 PolarHBondContact OE1-ND1 2.86Å; E139-W1040 WeakPolarHBondContact OE2-CZ3 3.42Å |
| 140 | G | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | 69.7 | 32.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S126 D154 H190 | S126-G140 WeakPolarHBondContact CB-O 2.94Å; S126-G140 PolarHBondContact OG-O 2.99Å; G140-D154 WeakPolarHBondContact CA-O 3.49Å; G140-D154 PolarHBondContact N-OD2 2.95Å; G140-H190 WeakPolarHBondContact O-CB 3.04Å | ||
| 141 | A | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -132 | 121 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E139 Y143 H190 | E139-A141 HydrophobicContact CG-CB 3.89Å; A141-Y143 HydrophobicContact CB-CD1 4.12Å; A141-Y143 HydrophobicContact CB-CE1 4.05Å; A141-Y143 WeakPolarHBondContact O-CD1 3.35Å; A141-Y143 PolarHBondContact O-N 2.77Å; A141-H190 HydrophobicContact CB-CB 3.94Å |
| 142 | L | 95.2 | Very high | 93.3 | Very high | 56 Ų | 56 | 47 Ų | 47 | 29% | 0.293 | 23% | 0.231 | S | C | . | . | trans | -88.2 | 110.8 | -177.6 | -174.8 | 63.6 | 0 | 0 | 0 | 111.3 | D155 H190 I191 | L142-D155 HydrophobicContact CB-CB 3.99Å; L142-D155 HydrophobicContact CD1-CB 3.83Å; L142-H190 PolarHBondContact N-O 3.18Å; L142-H190 VanDerWaalsContact N-O 3.17Å; L142-I191 HydrophobicContact CD2-CG2 4.43Å | ||
| 143 | Y | 96.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.02 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -156.6 | 166.7 | 171.6 | 62.1 | -83.8 | 0 | 0 | 0 | 111.6 | K136 E139 A141 D145 K152 T1039 W1040 L1041 T1057 | K136-Y143 PolarHBondContact NZ-OH 2.83Å; E139-Y143 PolarHBondContact OE1-OH 2.78Å; E139-Y143 PolarHBondContact OE2-OH 3.32Å; A141-Y143 HydrophobicContact CB-CD1 4.12Å; A141-Y143 HydrophobicContact CB-CE1 4.05Å; A141-Y143 WeakPolarHBondContact O-CD1 3.35Å; A141-Y143 PolarHBondContact O-N 2.77Å; Y143-D145 VanDerWaalsContact C-N 3.33Å; Y143-D145 HydrophobicContact CD2-CB 3.89Å; Y143-D145 HydrophobicContact CE2-CB 3.47Å; Y143-D145 VanDerWaalsContact CE2-CB 3.47Å; Y143-D145 PolarHBondContact O-N 2.78Å; Y143-K152 PolarHBondContact O-NZ 2.86Å; Y143-T1039 PolarHBondContact OH-O 2.82Å; Y143-W1040 WeakPolarHBondContact OH-CA 3.22Å; Y143-L1041 HydrophobicContact CD1-CB 4.27Å; Y143-L1041 HydrophobicContact CD1-CD2 4.31Å; Y143-L1041 HydrophobicContact CD2-CB 4.23Å; Y143-L1041 HydrophobicContact CD2-CD1 4Å; Y143-L1041 HydrophobicContact CE1-CB 3.98Å; Y143-L1041 HydrophobicContact CE2-CB 3.92Å; Y143-L1041 HydrophobicContact CE2-CD1 4.45Å; Y143-L1041 HydrophobicContact CG-CB 4.41Å; Y143-L1041 HydrophobicContact CG-CD1 4.14Å; Y143-L1041 HydrophobicContact CG-CD2 4.48Å; Y143-L1041 PolarHBondContact OH-N 3.46Å; Y143-T1057 HydrophobicContact CD2-CG2 4.25Å; Y143-T1057 HydrophobicContact CE2-CG2 4.17Å |
| 144 | P | 95.9 | Very high | 93.2 | Very high | 10 Ų | 10 | 52.4 Ų | 52.4 | 7% | 0.065 | 26% | 0.256 | C | S | . | . | trans | -70.5 | 84.3 | 177.8 | -17.1 | 30.3 | 0 | 0 | 0 | 112.5 | W752 E755 K756 | P144-W752 HydrophobicContact CB-CG 4.19Å; P144-W752 HydrophobicContact CG-CD2 4.04Å; P144-W752 HydrophobicContact CG-CG 3.97Å; P144-W752 WeakPolarHBondContact CG-O 3.2Å; P144-W752 PolarHBondContact O-NE1 3.02Å; P144-E755 HydrophobicContact CB-CB 4.5Å; P144-E755 HydrophobicContact CB-CG 4.22Å; P144-E755 HydrophobicContact CG-CB 3.82Å; P144-E755 HydrophobicContact CG-CG 3.84Å; P144-K756 HydrophobicContact CG-CB 4.19Å | ||
| 145 | D | 94.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | trans | -103.7 | -3.4 | -174.5 | 63.1 | -3.4 | 0 | 0 | 0 | 113.7 | K136 Y143 T147 K152 T1039 | K136-D145 WeakPolarHBondContact CE-OD2 3.47Å; K136-D145 IonicContact NZ-OD2 3.37Å; K136-D145 PolarHBondContact NZ-OD2 3.47Å; Y143-D145 VanDerWaalsContact C-N 3.33Å; Y143-D145 HydrophobicContact CD2-CB 3.89Å; Y143-D145 HydrophobicContact CE2-CB 3.47Å; Y143-D145 VanDerWaalsContact CE2-CB 3.47Å; Y143-D145 PolarHBondContact O-N 2.78Å; D145-T147 VanDerWaalsContact C-N 3.26Å; D145-T147 HydrophobicContact CB-CG2 4.41Å; D145-T147 PolarHBondContact O-N 2.81Å; D145-T147 PolarHBondContact OD1-N 3Å; D145-T147 PolarHBondContact OD1-OG1 2.88Å; D145-T147 WeakPolarHBondContact OD2-CG2 3.38Å; D145-T147 PolarHBondContact OD2-OG1 3.25Å; D145-K152 VanDerWaalsContact CG-NZ 3.31Å; D145-K152 WeakPolarHBondContact OD1-CE 3.32Å; D145-K152 IonicContact OD1-NZ 2.86Å; D145-K152 PolarHBondContact OD1-NZ 3.06Å; D145-K152 IonicContact OD2-NZ 2.82Å; D145-K152 PolarHBondContact OD2-NZ 2.79Å; D145-T1039 VanDerWaalsContact O-CB 3.24Å; D145-T1039 WeakPolarHBondContact O-CB 3.28Å; D145-T1039 PolarHBondContact O-OG1 2.82Å | ||
| 146 | K | 91.6 | Very high | 93.3 | Very high | 171 Ų | 171 | 48.1 Ų | 48.1 | 74% | 0.743 | 24% | 0.242 | S | C | * | . | trans | 64.8 | 22.2 | -176.2 | -49.8 | 175.9 | -178.6 | 174 | 0 | 114.2 | ||||
| 147 | T | 91.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | trans | -79 | 151.8 | 172.7 | 59.9 | 0 | 0 | 0 | 0 | 111.5 | K136 D145 W151 K152 | K136-T147 HydrophobicContact CB-CG2 4.07Å; K136-T147 HydrophobicContact CD-CG2 4.35Å; K136-T147 VanDerWaalsContact CE-CG2 3.46Å; K136-T147 HydrophobicContact CG-CG2 4.1Å; D145-T147 VanDerWaalsContact C-N 3.26Å; D145-T147 HydrophobicContact CB-CG2 4.41Å; D145-T147 PolarHBondContact O-N 2.81Å; D145-T147 PolarHBondContact OD1-N 3Å; D145-T147 PolarHBondContact OD1-OG1 2.88Å; D145-T147 WeakPolarHBondContact OD2-CG2 3.38Å; D145-T147 PolarHBondContact OD2-OG1 3.25Å; T147-W151 HydrophobicContact CG2-CE3 4.49Å; T147-K152 VanDerWaalsContact OG1-CE 3.28Å; T147-K152 WeakPolarHBondContact OG1-CE 3.16Å; T147-K152 PolarHBondContact OG1-NZ 3.29Å | ||
| 148 | P | 88.9 | Confident | 93.6 | Very high | 80 Ų | 80 | 48 Ų | 48 | 52% | 0.519 | 25% | 0.245 | S | C | . | . | trans | -65.8 | 152.5 | 171.9 | -17.3 | 31.1 | 0 | 0 | 0 | 111.7 | D150 W151 | P148-D150 VanDerWaalsContact C-N 3.26Å; P148-D150 PolarHBondContact O-N 3.16Å; P148-D150 VanDerWaalsContact O-N 3.13Å; P148-W151 WeakPolarHBondContact O-CA 3.4Å; P148-W151 WeakPolarHBondContact O-CB 3.49Å; P148-W151 PolarHBondContact O-N 2.81Å | ||
| 149 | N | 84.1 | Confident | 93.7 | Very high | 131 Ų | 131 | 50.4 Ų | 50.4 | 70% | 0.701 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -54.1 | -36.1 | -178.6 | -68.3 | -7.4 | 0 | 0 | 0 | 114.6 | W151 K152 | N149-W151 PolarHBondContact O-N 2.9Å; N149-W151 VanDerWaalsContact O-N 3.14Å; N149-K152 WeakPolarHBondContact O-CB 3.19Å; N149-K152 PolarHBondContact O-N 3.48Å |
| 150 | D | 84.3 | Confident | 93.7 | Very high | 132 Ų | 132 | 53 Ų | 53 | 71% | 0.706 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -64.9 | -16.4 | 178.4 | -59.8 | -9 | 0 | 0 | 0 | 112.7 | P148 | P148-D150 VanDerWaalsContact C-N 3.26Å; P148-D150 PolarHBondContact O-N 3.16Å; P148-D150 VanDerWaalsContact O-N 3.13Å |
| 151 | W | 85.5 | Confident | 93.7 | Very high | 130 Ų | 130 | 55.9 Ų | 55.9 | 49% | 0.492 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -96.6 | 5.4 | 176 | -73.7 | 30.2 | 0 | 0 | 0 | 112.6 | K136 N137 T147 P148 N149 | K136-W151 HydrophobicContact CB-CE3 3.97Å; K136-W151 HydrophobicContact CB-CZ3 4.23Å; N137-W151 HydrophobicContact CB-CB 4.47Å; N137-W151 HydrophobicContact CB-CG 4.48Å; T147-W151 HydrophobicContact CG2-CE3 4.49Å; P148-W151 WeakPolarHBondContact O-CA 3.4Å; P148-W151 WeakPolarHBondContact O-CB 3.49Å; P148-W151 PolarHBondContact O-N 2.81Å; N149-W151 PolarHBondContact O-N 2.9Å; N149-W151 VanDerWaalsContact O-N 3.14Å |
| 152 | K | 91.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 59.8 Ų | 59.8 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | trans | -106.1 | 7.4 | 179.8 | -60.3 | -165.2 | 156 | -70.5 | 0 | 113.4 | Y143 D145 T147 N149 D154 D155 | Y143-K152 PolarHBondContact O-NZ 2.86Å; D145-K152 VanDerWaalsContact CG-NZ 3.31Å; D145-K152 WeakPolarHBondContact OD1-CE 3.32Å; D145-K152 IonicContact OD1-NZ 2.86Å; D145-K152 PolarHBondContact OD1-NZ 3.06Å; D145-K152 IonicContact OD2-NZ 2.82Å; D145-K152 PolarHBondContact OD2-NZ 2.79Å; T147-K152 VanDerWaalsContact OG1-CE 3.28Å; T147-K152 WeakPolarHBondContact OG1-CE 3.16Å; T147-K152 PolarHBondContact OG1-NZ 3.29Å; N149-K152 WeakPolarHBondContact O-CB 3.19Å; N149-K152 PolarHBondContact O-N 3.48Å; K152-D154 PolarHBondContact O-N 3.4Å; K152-D155 HydrophobicContact CB-CB 4.36Å; K152-D155 WeakPolarHBondContact CB-OD2 3.48Å; K152-D155 WeakPolarHBondContact CG-OD2 3.44Å; K152-D155 IonicContact NZ-OD2 3.58Å; K152-D155 PolarHBondContact NZ-OD2 2.74Å; K152-D155 WeakPolarHBondContact O-CB 3.48Å; K152-D155 PolarHBondContact O-N 2.97Å | ||
| 153 | E | 93.8 | Very high | 93.8 | Very high | 122 Ų | 122 | 58.9 Ų | 58.9 | 57% | 0.57 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.4 | 176.5 | -69 | -173 | 174.2 | 0 | 0 | 112.5 | Y163 | E153-Y163 HydrophobicContact CB-CD2 3.93Å; E153-Y163 HydrophobicContact CB-CE2 3.48Å; E153-Y163 VanDerWaalsContact CB-CE2 3.48Å; E153-Y163 WeakPolarHBondContact O-CD2 3.26Å |
| 154 | D | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -34.5 | 173.2 | 65.4 | -56.8 | 0 | 0 | 0 | 112.4 | N137 S138 E139 G140 K152 S156 Y163 Y165 | N137-D154 VanDerWaalsContact C-OD2 3.24Å; N137-D154 WeakPolarHBondContact CA-OD1 3.33Å; S138-D154 WeakPolarHBondContact CA-OD2 3.22Å; S138-D154 PolarHBondContact N-OD2 3.13Å; E139-D154 PolarHBondContact N-OD2 3.29Å; G140-D154 WeakPolarHBondContact CA-O 3.49Å; G140-D154 PolarHBondContact N-OD2 2.95Å; K152-D154 PolarHBondContact O-N 3.4Å; D154-S156 PolarHBondContact O-N 2.76Å; D154-Y163 HydrophobicContact CB-CD1 3.92Å; D154-Y163 HydrophobicContact CB-CE1 3.37Å; D154-Y163 HydrophobicContact CB-CE2 4.36Å; D154-Y165 HydrophobicContact CB-CD1 4.3Å; D154-Y165 HydrophobicContact CB-CE1 3.65Å; D154-Y165 PolarHBondContact O-OH 2.94Å |
| 155 | D | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -29.8 | -178.8 | -63.8 | -7.9 | 0 | 0 | 0 | 112.6 | S126 L142 K152 | S126-D155 WeakPolarHBondContact CB-O 3.41Å; L142-D155 HydrophobicContact CB-CB 3.99Å; L142-D155 HydrophobicContact CD1-CB 3.83Å; K152-D155 HydrophobicContact CB-CB 4.36Å; K152-D155 WeakPolarHBondContact CB-OD2 3.48Å; K152-D155 WeakPolarHBondContact CG-OD2 3.44Å; K152-D155 IonicContact NZ-OD2 3.58Å; K152-D155 PolarHBondContact NZ-OD2 2.74Å; K152-D155 WeakPolarHBondContact O-CB 3.48Å; K152-D155 PolarHBondContact O-N 2.97Å |
| 156 | S | 96.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 65.8 Ų | 65.8 | 24% | 0.238 | 36% | 0.359 | C | S | . | . | trans | -152.9 | 113.1 | -178.6 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | S124 D154 P158 I191 | S124-S156 VanDerWaalsContact CB-OG 3.31Å; S124-S156 WeakPolarHBondContact CB-OG 3.12Å; D154-S156 PolarHBondContact O-N 2.76Å; S156-P158 WeakPolarHBondContact O-CD 3.49Å; S156-I191 WeakPolarHBondContact OG-CD1 3.31Å | ||
| 157 | V | 97.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -98.6 | 109.6 | 177.3 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | L117 N119 S124 Y125 C161 Y163 Y165 | L117-V157 HydrophobicContact CD2-CG2 4.08Å; N119-V157 HydrophobicContact CB-CG1 4.05Å; N119-V157 PolarHBondContact ND2-O 3.34Å; S124-V157 WeakPolarHBondContact CA-O 3.33Å; Y125-V157 PolarHBondContact N-O 3.3Å; Y125-V157 WeakPolarHBondContact O-CA 3.39Å; Y125-V157 VanDerWaalsContact O-CB 3.29Å; Y125-V157 WeakPolarHBondContact O-CB 3.46Å; Y125-V157 PolarHBondContact O-N 2.68Å; V157-C161 HydrophobicContact CG1-CB 4.22Å; V157-Y163 HydrophobicContact CG2-CG 4.48Å; V157-Y165 VanDerWaalsContact CG2-OH 3.3Å; V157-Y165 WeakPolarHBondContact CG2-OH 3.25Å |
| 158 | P | 97.8 | Very high | 94.7 | Very high | 58 Ų | 58 | 58.1 Ų | 58.1 | 38% | 0.377 | 32% | 0.324 | S | S | . | . | trans | -68.2 | 163.1 | -176.8 | -21.6 | 34.5 | 0 | 0 | 0 | 114 | S156 G160 C161 | S156-P158 WeakPolarHBondContact O-CD 3.49Å; P158-G160 PolarHBondContact O-N 2.68Å; P158-C161 HydrophobicContact CB-CB 4.45Å; P158-C161 VanDerWaalsContact O-CB 3.32Å; P158-C161 WeakPolarHBondContact O-CB 3.37Å; P158-C161 PolarHBondContact O-N 3.14Å | ||
| 159 | P | 98.4 | Very high | 94.9 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | 129.8 | 173.3 | -30.5 | 38.4 | 0 | 0 | 0 | 113.3 | A121 N122 C161 | A121-P159 WeakPolarHBondContact O-CB 3.25Å; N122-P159 VanDerWaalsContact C-CG 3.46Å; N122-P159 WeakPolarHBondContact O-CG 3.49Å; P159-C161 PolarHBondContact O-N 2.81Å |
| 160 | G | 97.3 | Very high | 95.3 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | -11.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | N119 P158 | N119-G160 VanDerWaalsContact O-CA 3.31Å; N119-G160 WeakPolarHBondContact O-CA 3.41Å; N119-G160 PolarHBondContact O-N 3.48Å; P158-G160 PolarHBondContact O-N 2.68Å |
| 161 | C | 97.8 | Very high | 95.6 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | trans | -84.5 | 166.9 | 178.8 | -66.1 | 0 | 0 | 0 | 0 | 112 | N119 V157 P158 P159 | N119-C161 PolarHBondContact N-O 3.32Å; V157-C161 HydrophobicContact CG1-CB 4.22Å; P158-C161 HydrophobicContact CB-CB 4.45Å; P158-C161 VanDerWaalsContact O-CB 3.32Å; P158-C161 WeakPolarHBondContact O-CB 3.37Å; P158-C161 PolarHBondContact O-N 3.14Å; P159-C161 PolarHBondContact O-N 2.81Å | ||
| 162 | S | 97.3 | Very high | 95.7 | Very high | 82 Ų | 82 | 48.8 Ų | 48.8 | 57% | 0.573 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 145.3 | 176.7 | 59.4 | 0 | 0 | 0 | 0 | 110.9 | L117 | L117-S162 CarbonylContact O-C 3.44Å; L117-S162 WeakPolarHBondContact O-CA 3.42Å; L117-S162 WeakPolarHBondContact O-CB 3.41Å |
| 163 | Y | 97.9 | Very high | 95.7 | Very high | 36 Ų | 36 | 47 Ų | 47 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154.9 | 174.4 | -164.9 | -95 | 0 | 0 | 0 | 110.4 | L117 N137 E153 D154 V157 Y165 | L117-Y163 PolarHBondContact N-O 2.74Å; L117-Y163 PolarHBondContact O-N 2.78Å; N137-Y163 PolarHBondContact O-OH 3.21Å; E153-Y163 HydrophobicContact CB-CD2 3.93Å; E153-Y163 HydrophobicContact CB-CE2 3.48Å; E153-Y163 VanDerWaalsContact CB-CE2 3.48Å; E153-Y163 WeakPolarHBondContact O-CD2 3.26Å; D154-Y163 HydrophobicContact CB-CD1 3.92Å; D154-Y163 HydrophobicContact CB-CE1 3.37Å; D154-Y163 HydrophobicContact CB-CE2 4.36Å; V157-Y163 HydrophobicContact CG2-CG 4.48Å; Y163-Y165 HydrophobicContact CD1-CD1 4.18Å; Y163-Y165 AromaticContact CD1-CD2 3.77Å; Y163-Y165 HydrophobicContact CD1-CD2 3.77Å; Y163-Y165 AromaticContact CD1-CE1 3.99Å; Y163-Y165 HydrophobicContact CD1-CE1 3.99Å; Y163-Y165 AromaticContact CD1-CE2 3.52Å; Y163-Y165 HydrophobicContact CD1-CE2 3.52Å; Y163-Y165 HydrophobicContact CD1-CG 4.06Å; Y163-Y165 AromaticContact CD1-CZ 3.64Å; Y163-Y165 HydrophobicContact CE1-CD1 4.34Å; Y163-Y165 HydrophobicContact CE1-CE1 4.33Å; Y163-Y165 HydrophobicContact CE1-CG 4.45Å; Y163-Y165 HydrophobicContact CG-CE2 4.16Å |
| 164 | T | 98.1 | Very high | 95.6 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 41% | 0.411 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 112.3 | 175.9 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | I114 I115 H116 | I114-T164 HydrophobicContact CG2-CG2 3.7Å; I115-T164 CarbonylContact O-C 3.59Å; I115-T164 VanDerWaalsContact O-CA 3.23Å; I115-T164 WeakPolarHBondContact O-CA 3.44Å; H116-T164 PolarHBondContact ND1-OG1 3.08Å |
| 165 | Y | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 143.2 | 176.7 | -60 | -100 | 0 | 0 | 0 | 110.1 | I114 I115 L117 I127 D154 V157 Y163 W167 | I114-Y165 WeakPolarHBondContact CA-O 3.42Å; I115-Y165 PolarHBondContact N-O 3.02Å; I115-Y165 PolarHBondContact O-N 3Å; L117-Y165 HydrophobicContact CB-CD2 4.17Å; L117-Y165 HydrophobicContact CB-CE2 3.83Å; L117-Y165 HydrophobicContact CD2-CE2 3.71Å; L117-Y165 HydrophobicContact CG-CE2 4.43Å; I127-Y165 HydrophobicContact CG2-CD1 3.9Å; I127-Y165 HydrophobicContact CG2-CD2 3.37Å; I127-Y165 HydrophobicContact CG2-CE1 3.79Å; I127-Y165 HydrophobicContact CG2-CE2 3.26Å; I127-Y165 HydrophobicContact CG2-CG 3.71Å; I127-Y165 VanDerWaalsContact CG2-CZ 3.49Å; I127-Y165 WeakPolarHBondContact O-CE1 3.33Å; D154-Y165 HydrophobicContact CB-CD1 4.3Å; D154-Y165 HydrophobicContact CB-CE1 3.65Å; D154-Y165 PolarHBondContact O-OH 2.94Å; V157-Y165 VanDerWaalsContact CG2-OH 3.3Å; V157-Y165 WeakPolarHBondContact CG2-OH 3.25Å; Y163-Y165 HydrophobicContact CD1-CD1 4.18Å; Y163-Y165 AromaticContact CD1-CD2 3.77Å; Y163-Y165 HydrophobicContact CD1-CD2 3.77Å; Y163-Y165 AromaticContact CD1-CE1 3.99Å; Y163-Y165 HydrophobicContact CD1-CE1 3.99Å; Y163-Y165 AromaticContact CD1-CE2 3.52Å; Y163-Y165 HydrophobicContact CD1-CE2 3.52Å; Y163-Y165 HydrophobicContact CD1-CG 4.06Å; Y163-Y165 AromaticContact CD1-CZ 3.64Å; Y163-Y165 HydrophobicContact CE1-CD1 4.34Å; Y163-Y165 HydrophobicContact CE1-CE1 4.33Å; Y163-Y165 HydrophobicContact CE1-CG 4.45Å; Y163-Y165 HydrophobicContact CG-CE2 4.16Å; Y165-W167 HydrophobicContact CD1-CZ2 4.42Å; Y165-W167 HydrophobicContact CG-CZ2 4.37Å |
| 166 | R | 97.6 | Very high | 95.6 | Very high | 96 Ų | 96 | 43.2 Ų | 43.2 | 36% | 0.362 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 114.4 | 177.4 | 179.8 | 171.8 | 179.8 | -65.9 | -3.8 | 111 | V112 I113 I114 S138 E168 | V112-R166 HydrophobicContact CG1-CG 3.8Å; I113-R166 WeakPolarHBondContact O-CA 3.22Å; I114-R166 HydrophobicContact CD1-CB 3.91Å; I114-R166 HydrophobicContact CD1-CG 3.55Å; S138-R166 PolarHBondContact OG-N 3.36Å; R166-E168 IonicContact CZ-OE1 3.43Å; R166-E168 IonicContact NH1-OE1 3.22Å; R166-E168 PolarHBondContact NH1-OE1 3.18Å; R166-E168 IonicContact NH2-OE1 3.67Å; R166-E168 PolarHBondContact NH2-OE1 3.4Å |
| 167 | W | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 139.1 | -178.9 | -49.1 | -34.4 | 0 | 0 | 0 | 110.9 | L105 V112 I113 I115 I127 P129 L132 F133 S138 Y165 | L105-W167 HydrophobicContact CD1-CZ3 3.92Å; V112-W167 CarbonylContact C-O 3.55Å; V112-W167 WeakPolarHBondContact CA-O 3.45Å; I113-W167 HydrophobicContact CB-CB 4.38Å; I113-W167 HydrophobicContact CB-CE3 4.38Å; I113-W167 HydrophobicContact CG2-CE3 4.12Å; I113-W167 PolarHBondContact N-O 3.14Å; I113-W167 PolarHBondContact O-N 2.93Å; I115-W167 HydrophobicContact CD1-CD2 4.49Å; I115-W167 HydrophobicContact CD1-CE3 3.8Å; I115-W167 HydrophobicContact CD1-CH2 3.26Å; I115-W167 HydrophobicContact CD1-CZ2 4Å; I115-W167 HydrophobicContact CD1-CZ3 3.14Å; I115-W167 HydrophobicContact CG1-CH2 4.48Å; I115-W167 HydrophobicContact CG1-CZ3 4.26Å; I127-W167 HydrophobicContact CD1-CH2 3.91Å; I127-W167 HydrophobicContact CG1-CH2 3.94Å; I127-W167 HydrophobicContact CG1-CZ2 4.37Å; I127-W167 HydrophobicContact CG2-CH2 4.44Å; I127-W167 HydrophobicContact CG2-CZ2 4.16Å; P129-W167 HydrophobicContact CB-CD2 3.82Å; P129-W167 HydrophobicContact CB-CE3 3.77Å; P129-W167 HydrophobicContact CB-CH2 3.69Å; P129-W167 HydrophobicContact CB-CZ2 3.8Å; P129-W167 HydrophobicContact CB-CZ3 3.67Å; P129-W167 VanDerWaalsContact CD-CZ2 3.5Å; P129-W167 HydrophobicContact CG-CD2 3.68Å; P129-W167 HydrophobicContact CG-CE3 4.17Å; P129-W167 HydrophobicContact CG-CG 4.05Å; P129-W167 HydrophobicContact CG-CH2 4.09Å; P129-W167 HydrophobicContact CG-CZ2 3.64Å; P129-W167 HydrophobicContact CG-CZ3 4.33Å; L132-W167 HydrophobicContact CB-CB 4.34Å; L132-W167 HydrophobicContact CD1-CB 3.82Å; L132-W167 HydrophobicContact CD1-CD2 4.21Å; L132-W167 HydrophobicContact CD1-CE3 3.71Å; L132-W167 HydrophobicContact CD1-CG 4.3Å; F133-W167 WeakPolarHBondContact O-CA 3.44Å; S138-W167 PolarHBondContact O-NE1 2.93Å; Y165-W167 HydrophobicContact CD1-CZ2 4.42Å; Y165-W167 HydrophobicContact CG-CZ2 4.37Å |
| 168 | E | 95.6 | Very high | 95.2 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 16% | 0.159 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 136.1 | -177.1 | -54.3 | -174.5 | 165.8 | 0 | 0 | 111 | V112 F133 R166 R170 | V112-E168 HydrophobicContact CG2-CG 4.26Å; F133-E168 HydrophobicContact CB-CB 4.34Å; F133-E168 WeakPolarHBondContact CB-O 3.34Å; F133-E168 HydrophobicContact CD1-CB 4.11Å; F133-E168 HydrophobicContact CD1-CG 4.27Å; F133-E168 PolarHBondContact N-O 3.49Å; F133-E168 VanDerWaalsContact N-O 3.1Å; F133-E168 PolarHBondContact O-N 3.39Å; R166-E168 IonicContact CZ-OE1 3.43Å; R166-E168 IonicContact NH1-OE1 3.22Å; R166-E168 PolarHBondContact NH1-OE1 3.18Å; R166-E168 IonicContact NH2-OE1 3.67Å; R166-E168 PolarHBondContact NH2-OE1 3.4Å; E168-R170 HydrophobicContact CB-CG 4.14Å; E168-R170 PolarHBondContact O-N 3.27Å; E168-R170 IonicContact OE2-CZ 3.17Å; E168-R170 VanDerWaalsContact OE2-CZ 3.22Å; E168-R170 IonicContact OE2-NE 3.49Å; E168-R170 PolarHBondContact OE2-NE 2.94Å; E168-R170 IonicContact OE2-NH2 2.71Å; E168-R170 PolarHBondContact OE2-NH2 3.35Å |
| 169 | V | 93.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | trans | -92.4 | 83 | 170.8 | -167.9 | 0 | 0 | 0 | 0 | 109.5 | A107 E108 D110 D111 L132 V174 T207 | A107-V169 HydrophobicContact CB-CG2 3.4Å; E108-V169 VanDerWaalsContact O-CB 3.22Å; E108-V169 WeakPolarHBondContact O-CB 3.43Å; E108-V169 WeakPolarHBondContact O-CG1 3.37Å; D110-V169 PolarHBondContact N-O 3.28Å; D111-V169 HydrophobicContact CB-CG2 4.49Å; D111-V169 PolarHBondContact O-N 3.31Å; L132-V169 HydrophobicContact CD2-CB 4.44Å; L132-V169 HydrophobicContact CD2-CG2 3.65Å; V169-V174 HydrophobicContact CG1-CG1 3.36Å; V169-T207 HydrophobicContact CG1-CG2 4.39Å | ||
| 170 | R | 92.9 | Very high | 94.9 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 33% | 0.332 | 28% | 0.277 | S | S | . | . | trans | -76.4 | 160.4 | 178.3 | -66.2 | -176.1 | 176.7 | -166.1 | -2.8 | 111.6 | F133 E168 R172 F173 | F133-R170 HydrophobicContact CB-CG 4.02Å; F133-R170 VanDerWaalsContact CD1-CZ 3.5Å; F133-R170 VanDerWaalsContact CD1-NE 3.29Å; F133-R170 VanDerWaalsContact CE2-NH1 3.29Å; F133-R170 HydrophobicContact CG-CG 4.2Å; F133-R170 VanDerWaalsContact CZ-NH1 3.25Å; E168-R170 HydrophobicContact CB-CG 4.14Å; E168-R170 PolarHBondContact O-N 3.27Å; E168-R170 IonicContact OE2-CZ 3.17Å; E168-R170 VanDerWaalsContact OE2-CZ 3.22Å; E168-R170 IonicContact OE2-NE 3.49Å; E168-R170 PolarHBondContact OE2-NE 2.94Å; E168-R170 IonicContact OE2-NH2 2.71Å; E168-R170 PolarHBondContact OE2-NH2 3.35Å; R170-R172 PolarHBondContact O-N 2.99Å; R170-F173 HydrophobicContact CB-CD2 3.84Å; R170-F173 HydrophobicContact CB-CE2 4.39Å; R170-F173 PolarHBondContact O-N 3.25Å | ||
| 171 | P | 90.8 | Very high | 94.8 | Very high | 87 Ų | 87 | 49.4 Ų | 49.4 | 57% | 0.565 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -24.8 | 177.5 | -27.2 | 32.1 | 0 | 0 | 0 | 115.9 | L109 V174 | L109-P171 HydrophobicContact CD1-CB 4.14Å; L109-P171 HydrophobicContact CD1-CG 3.96Å; P171-V174 VanDerWaalsContact O-CG2 3.27Å; P171-V174 WeakPolarHBondContact O-CG2 3.2Å |
| 172 | R | 88.2 | Confident | 94.7 | Very high | 101 Ų | 101 | 46.5 Ų | 46.5 | 38% | 0.381 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -2.2 | 176.6 | -63.1 | -173.5 | -172.7 | 167.2 | 5.5 | 114 | R170 T1006 R1016 V1033 | R170-R172 PolarHBondContact O-N 2.99Å; R172-T1006 PolarHBondContact O-OG1 3.18Å; R172-R1016 PolarHBondContact O-NE 3.15Å; R172-R1016 PolarHBondContact O-NH1 3.33Å; R172-R1016 PolarHBondContact O-NH2 2.65Å; R172-V1033 VanDerWaalsContact NH1-CG1 3.3Å; R172-V1033 PolarHBondContact NH1-O 3.21Å |
| 173 | F | 91.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -118.5 | 5.2 | -175.9 | -66.8 | -99.4 | 0 | 0 | 0 | 112.1 | L132 F133 R170 T207 A1004 T1006 | L132-F173 VanDerWaalsContact C-CE1 3.42Å; L132-F173 VanDerWaalsContact O-CE1 3.28Å; L132-F173 WeakPolarHBondContact O-CE1 3.37Å; F133-F173 HydrophobicContact CB-CD1 4.43Å; F133-F173 HydrophobicContact CB-CD2 3.96Å; F133-F173 HydrophobicContact CB-CE1 4.21Å; F133-F173 HydrophobicContact CB-CE2 3.71Å; F133-F173 HydrophobicContact CB-CG 4.31Å; F133-F173 HydrophobicContact CB-CZ 3.84Å; F133-F173 AromaticContact CD2-CE2 3.89Å; F133-F173 HydrophobicContact CD2-CE2 3.89Å; F133-F173 AromaticContact CD2-CZ 3.91Å; F133-F173 HydrophobicContact CD2-CZ 3.91Å; F133-F173 HydrophobicContact CG-CE2 4.28Å; F133-F173 HydrophobicContact CG-CZ 4.39Å; R170-F173 HydrophobicContact CB-CD2 3.84Å; R170-F173 HydrophobicContact CB-CE2 4.39Å; R170-F173 PolarHBondContact O-N 3.25Å; F173-T207 PolarHBondContact O-OG1 2.88Å; F173-A1004 WeakPolarHBondContact CZ-O 3.36Å; F173-T1006 HydrophobicContact CD1-CG2 3.59Å; F173-T1006 HydrophobicContact CE1-CG2 4.01Å; F173-T1006 HydrophobicContact CG-CG2 4.42Å |
| 174 | V | 92.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -95.3 | 157.3 | 175 | -66.2 | 0 | 0 | 0 | 0 | 111.2 | L109 V169 P171 T176 R1016 | L109-V174 HydrophobicContact CB-CG1 3.85Å; L109-V174 HydrophobicContact CD1-CG1 3.74Å; L109-V174 HydrophobicContact CD1-CG2 4.08Å; L109-V174 HydrophobicContact CG-CG1 4.37Å; V169-V174 HydrophobicContact CG1-CG1 3.36Å; P171-V174 VanDerWaalsContact O-CG2 3.27Å; P171-V174 WeakPolarHBondContact O-CG2 3.2Å; V174-T176 PolarHBondContact O-N 2.9Å; V174-R1016 WeakPolarHBondContact O-CD 3.4Å; V174-R1016 PolarHBondContact O-NE 3.03Å |
| 175 | P | 95.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | trans | -50.5 | 142 | 174.7 | -23.8 | 31.9 | 0 | 0 | 0 | 111.9 | D179 A180 L183 T207 K209 | P175-D179 HydrophobicContact CB-CB 3.73Å; P175-A180 VanDerWaalsContact CB-O 3.27Å; P175-A180 WeakPolarHBondContact CB-O 3.46Å; P175-L183 HydrophobicContact CB-CD1 3.88Å; P175-L183 HydrophobicContact CB-CG 3.89Å; P175-L183 HydrophobicContact CG-CB 4.21Å; P175-L183 HydrophobicContact CG-CD1 3.97Å; P175-L183 HydrophobicContact CG-CG 3.75Å; P175-T207 WeakPolarHBondContact CG-O 3.47Å; P175-K209 HydrophobicContact CB-CG 4.21Å; P175-K209 HydrophobicContact CG-CG 4.41Å | ||
| 176 | T | 95.3 | Very high | 94.6 | Very high | 19 Ų | 19 | 38.9 Ų | 38.9 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | trans | -65.7 | 176.4 | 172.6 | 74.9 | 0 | 0 | 0 | 0 | 110.7 | V174 D178 D179 K209 I1008 V1014 R1016 | V174-T176 PolarHBondContact O-N 2.9Å; T176-D178 PolarHBondContact O-N 3.34Å; T176-D178 PolarHBondContact OG1-N 2.63Å; T176-D179 WeakPolarHBondContact CG2-OD2 3.39Å; T176-D179 PolarHBondContact N-OD2 2.92Å; T176-D179 PolarHBondContact O-N 3.1Å; T176-D179 PolarHBondContact OG1-N 2.73Å; T176-D179 PolarHBondContact OG1-OD2 3.35Å; T176-D179 VanDerWaalsContact OG1-OD2 3.09Å; T176-K209 WeakPolarHBondContact O-CE 3.26Å; T176-K209 PolarHBondContact O-NZ 3.48Å; T176-I1008 HydrophobicContact CG2-CD1 3.68Å; T176-V1014 WeakPolarHBondContact CB-O 3.05Å; T176-V1014 HydrophobicContact CG2-CG1 4.31Å; T176-V1014 PolarHBondContact OG1-O 2.73Å; T176-R1016 HydrophobicContact CG2-CB 4.1Å | ||
| 177 | N | 93.1 | Very high | 94.6 | Very high | 151 Ų | 151 | 34.3 Ų | 34.3 | 81% | 0.807 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -61.9 | -35 | 174.6 | -71.2 | -28.6 | 0 | 0 | 0 | 112.5 | K209 | N177-K209 PolarHBondContact O-NZ 3.48Š|
| 178 | D | 92.7 | Very high | 94.7 | Very high | 80 Ų | 80 | 34.3 Ų | 34.3 | 43% | 0.428 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -88.3 | -19.1 | -175.1 | -51.8 | -41.3 | 0 | 0 | 0 | 112.5 | T176 H1013 V1014 | T176-D178 PolarHBondContact O-N 3.34Å; T176-D178 PolarHBondContact OG1-N 2.63Å; D178-H1013 HydrophobicContact CB-CB 3.57Å; D178-V1014 PolarHBondContact OD2-N 3.27Å |
| 179 | D | 94.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 32.7 Ų | 32.7 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -66.5 | 160.8 | 170.2 | -71.1 | -33.7 | 0 | 0 | 0 | 112.3 | P175 T176 L183 K209 H1015 R1016 | P175-D179 HydrophobicContact CB-CB 3.73Å; T176-D179 WeakPolarHBondContact CG2-OD2 3.39Å; T176-D179 PolarHBondContact N-OD2 2.92Å; T176-D179 PolarHBondContact O-N 3.1Å; T176-D179 PolarHBondContact OG1-N 2.73Å; T176-D179 PolarHBondContact OG1-OD2 3.35Å; T176-D179 VanDerWaalsContact OG1-OD2 3.09Å; D179-L183 HydrophobicContact CB-CD1 4.39Å; D179-L183 HydrophobicContact CB-CD2 4.11Å; D179-L183 HydrophobicContact CB-CG 4.37Å; D179-K209 PolarHBondContact O-NZ 3.34Å; D179-H1015 WeakPolarHBondContact OD1-CA 3.42Å; D179-H1015 IonicContact OD1-CE1 2.95Å; D179-H1015 IonicContact OD1-CG 2.96Å; D179-H1015 IonicContact OD1-ND1 3.29Å; D179-H1015 PolarHBondContact OD1-ND1 3.17Å; D179-R1016 PolarHBondContact OD2-N 3.16Å; D179-R1016 VanDerWaalsContact OD2-N 3.1Å |
| 180 | A | 94.2 | Very high | 95 | Very high | 41 Ų | 41 | 33.1 Ų | 33.1 | 34% | 0.339 | 17% | 0.174 | S | C | . | . | trans | -53.8 | 158.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P175 C182 T337 | P175-A180 VanDerWaalsContact CB-O 3.27Å; P175-A180 WeakPolarHBondContact CB-O 3.46Å; A180-C182 WeakPolarHBondContact CB-O 3.48Å; A180-C182 PolarHBondContact O-N 3.42Å; A180-C182 VanDerWaalsContact O-N 3.11Å; A180-T337 HydrophobicContact CB-CG2 4.13Å | ||
| 181 | N | 95.5 | Very high | 95.1 | Very high | 55 Ų | 55 | 30.6 Ų | 30.6 | 29% | 0.294 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -59.3 | -26.4 | -179.5 | -75.6 | -30.1 | 0 | 0 | 0 | 113.6 | C208 K209 I212 D227 | N181-C208 CarbonylContact O-C 3.6Å; N181-C208 VanDerWaalsContact O-CA 3.3Å; N181-C208 WeakPolarHBondContact O-CA 3.37Å; N181-K209 PolarHBondContact O-N 2.04Å; N181-I212 HydrophobicContact CB-CD1 3.88Å; N181-I212 HydrophobicContact CB-CG1 4.02Å; N181-I212 HydrophobicContact CB-CG2 4.16Å; N181-D227 WeakPolarHBondContact CB-OD2 3.37Å; N181-D227 PolarHBondContact ND2-OD2 2.62Å |
| 182 | C | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 143.2 | 171 | -58 | 0 | 0 | 0 | 0 | 108.8 | A180 I206 T207 C208 | A180-C182 WeakPolarHBondContact CB-O 3.48Å; A180-C182 PolarHBondContact O-N 3.42Å; A180-C182 VanDerWaalsContact O-N 3.11Å; C182-I206 HydrophobicContact CB-CD1 4.33Å; C182-T207 CarbonylContact C-O 3.59Å; C182-T207 VanDerWaalsContact CA-O 3.23Å; C182-T207 WeakPolarHBondContact CA-O 3.47Å; C182-C208 HydrophobicContact CB-CB 4.07Å; C182-C208 WeakPolarHBondContact CB-SG 3.13Å; C182-C208 WeakPolarHBondContact SG-CB 3.25Å; C182-C208 CovalentContact SG-SG 2.04Å; C182-C208 PolarHBondContact SG-SG 3.44Å |
| 183 | L | 96.8 | Very high | 95.6 | Very high | 19 Ų | 19 | 23.5 Ų | 23.5 | 10% | 0.099 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 144.8 | 172.5 | -73.8 | 172.4 | 0 | 0 | 0 | 110.5 | P175 D179 W185 I206 T207 R1016 | P175-L183 HydrophobicContact CB-CD1 3.88Å; P175-L183 HydrophobicContact CB-CG 3.89Å; P175-L183 HydrophobicContact CG-CB 4.21Å; P175-L183 HydrophobicContact CG-CD1 3.97Å; P175-L183 HydrophobicContact CG-CG 3.75Å; D179-L183 HydrophobicContact CB-CD1 4.39Å; D179-L183 HydrophobicContact CB-CD2 4.11Å; D179-L183 HydrophobicContact CB-CG 4.37Å; L183-W185 HydrophobicContact CB-CZ2 3.75Å; L183-W185 HydrophobicContact CD1-CH2 4.18Å; L183-W185 HydrophobicContact CD1-CZ2 3.64Å; L183-W185 HydrophobicContact CG-CZ2 4.35Å; L183-I206 VanDerWaalsContact O-CA 3.26Å; L183-I206 WeakPolarHBondContact O-CA 3.4Å; L183-I206 WeakPolarHBondContact O-CB 3.05Å; L183-I206 WeakPolarHBondContact O-CG2 3.06Å; L183-T207 PolarHBondContact N-O 3.42Å; L183-T207 PolarHBondContact O-N 3.43Å; L183-R1016 HydrophobicContact CD1-CB 4.01Å |
| 184 | T | 97.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 134.8 | 171.9 | -50.5 | 0 | 0 | 0 | 0 | 110.1 | H298 F300 F335 A336 T337 | T184-H298 HydrophobicContact CG2-CB 4Å; T184-H298 WeakPolarHBondContact OG1-CA 3.34Å; T184-H298 WeakPolarHBondContact OG1-CB 3.24Å; T184-H298 PolarHBondContact OG1-ND1 3.16Å; T184-F300 HydrophobicContact CG2-CD1 4.16Å; T184-F335 WeakPolarHBondContact O-CB 3.4Å; T184-A336 PolarHBondContact OG1-O 2.81Å; T184-T337 PolarHBondContact N-OG1 3.12Å; T184-T337 PolarHBondContact OG1-OG1 3.05Å |
| 185 | W | 97.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 177.3 | 169 | -49.9 | 111.2 | 0 | 0 | 0 | 108.1 | H130 L183 L205 T207 F335 R1016 D1018 | H130-W185 HydrophobicContact CB-CB 4.06Å; H130-W185 HydrophobicContact CB-CE3 4.47Å; L183-W185 HydrophobicContact CB-CZ2 3.75Å; L183-W185 HydrophobicContact CD1-CH2 4.18Å; L183-W185 HydrophobicContact CD1-CZ2 3.64Å; L183-W185 HydrophobicContact CG-CZ2 4.35Å; W185-L205 CarbonylContact C-O 3.55Å; W185-L205 WeakPolarHBondContact CA-O 3.27Å; W185-L205 HydrophobicContact CB-CB 4.02Å; W185-L205 HydrophobicContact CB-CD2 3.82Å; W185-L205 HydrophobicContact CB-CG 4.15Å; W185-L205 HydrophobicContact CG-CD2 4.35Å; W185-L205 PolarHBondContact N-O 3.19Å; W185-L205 PolarHBondContact O-N 2.93Å; W185-T207 PolarHBondContact NE1-OG1 2.57Å; W185-F335 AromaticContact CE3-CD2 3.79Å; W185-F335 HydrophobicContact CE3-CD2 3.79Å; W185-F335 HydrophobicContact CE3-CE2 4.2Å; W185-F335 HydrophobicContact CZ3-CD2 4.16Å; W185-R1016 HydrophobicContact CH2-CG 4.33Å; W185-D1018 HydrophobicContact CZ3-CB 4.48Å; W185-D1018 VanDerWaalsContact CZ3-OD1 3.31Å; W185-D1018 WeakPolarHBondContact CZ3-OD1 3.41Å |
| 186 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 172.4 | 172.3 | 65.3 | 173.3 | 0 | 0 | 0 | 111 | H130 I202 G203 F300 M302 F335 | H130-I186 HydrophobicContact CB-CG1 4.44Å; H130-I186 WeakPolarHBondContact CB-O 3.32Å; H130-I186 PolarHBondContact N-O 3.06Å; I186-I202 HydrophobicContact CD1-CD1 4.06Å; I186-G203 CarbonylContact C-O 3.55Å; I186-G203 VanDerWaalsContact CA-O 3.31Å; I186-G203 WeakPolarHBondContact CA-O 3.44Å; I186-F300 HydrophobicContact CG2-CB 4.3Å; I186-F300 HydrophobicContact CG2-CD1 4.26Å; I186-F300 HydrophobicContact CG2-CD2 3.58Å; I186-F300 HydrophobicContact CG2-CE2 3.84Å; I186-F300 HydrophobicContact CG2-CG 3.8Å; I186-F300 HydrophobicContact CG2-CZ 4.31Å; I186-M302 HydrophobicContact CD1-CE 3.3Å; I186-F335 HydrophobicContact CB-CE1 4.2Å; I186-F335 HydrophobicContact CD1-CE1 3.77Å; I186-F335 HydrophobicContact CD1-CZ 3.93Å; I186-F335 HydrophobicContact CG1-CE1 3.64Å; I186-F335 HydrophobicContact CG1-CZ 3.66Å; I186-F335 HydrophobicContact CG2-CD1 4.16Å; I186-F335 HydrophobicContact CG2-CE1 3.67Å; I186-F335 HydrophobicContact CG2-CZ 4.5Å |
| 187 | Y | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 149.2 | 157.8 | 63.1 | -88.6 | 0 | 0 | 0 | 109.2 | Y80 G102 P103 L105 I127 H128 I202 G203 P204 L205 | Y80-Y187 HydrophobicContact CD2-CD2 4.31Å; Y80-Y187 AromaticContact CD2-CE2 3.67Å; Y80-Y187 HydrophobicContact CD2-CE2 3.67Å; Y80-Y187 HydrophobicContact CE2-CD2 4.04Å; Y80-Y187 AromaticContact CE2-CE2 3.86Å; Y80-Y187 HydrophobicContact CE2-CE2 3.86Å; Y80-Y187 HydrophobicContact CG-CE2 4.05Å; G102-Y187 VanDerWaalsContact C-OH 3.27Å; G102-Y187 WeakPolarHBondContact CA-OH 3.42Å; P103-Y187 WeakPolarHBondContact CD-OH 3.17Å; P103-Y187 WeakPolarHBondContact CG-OH 3.39Å; P103-Y187 VanDerWaalsContact N-OH 3.09Å; P103-Y187 WeakPolarHBondContact O-CE1 3.29Å; P103-Y187 PolarHBondContact O-OH 3.32Å; L105-Y187 HydrophobicContact CB-CE1 4.32Å; L105-Y187 HydrophobicContact CD1-CD1 3.57Å; L105-Y187 HydrophobicContact CD1-CE1 3.48Å; L105-Y187 VanDerWaalsContact CD1-CE1 3.48Å; L105-Y187 HydrophobicContact CD1-CG 4.21Å; L105-Y187 HydrophobicContact CG-CD1 4.06Å; L105-Y187 HydrophobicContact CG-CE1 3.53Å; I127-Y187 HydrophobicContact CD1-CD2 3.44Å; I127-Y187 VanDerWaalsContact CD1-CD2 3.44Å; I127-Y187 HydrophobicContact CD1-CE2 3.77Å; I127-Y187 HydrophobicContact CD1-CG 4.17Å; I127-Y187 HydrophobicContact CG1-CD2 3.56Å; I127-Y187 HydrophobicContact CG1-CE2 4.31Å; I127-Y187 HydrophobicContact CG1-CG 4.24Å; H128-Y187 CarbonylContact O-C 3.51Å; H128-Y187 WeakPolarHBondContact O-CA 3.4Å; H128-Y187 VanDerWaalsContact O-CB 3.25Å; H128-Y187 WeakPolarHBondContact O-CB 3.29Å; Y187-I202 CarbonylContact O-C 3.57Å; Y187-I202 WeakPolarHBondContact O-CA 3.45Å; Y187-G203 VanDerWaalsContact CD1-O 3.28Å; Y187-G203 WeakPolarHBondContact CD1-O 3.44Å; Y187-G203 PolarHBondContact N-O 3.02Å; Y187-G203 PolarHBondContact O-N 2.8Å; Y187-P204 WeakPolarHBondContact CE1-O 3.34Å; Y187-L205 HydrophobicContact CD1-CB 4.23Å |
| 188 | H | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 166.9 | -179.8 | 61.1 | 88.1 | 0 | 0 | 0 | 111.7 | I127 H128 H130 H190 T193 I197 L201 I202 H1045 | I127-H188 CarbonylContact C-O 3.6Å; I127-H188 WeakPolarHBondContact CA-O 3.41Å; H128-H188 WeakPolarHBondContact CB-O 3.26Å; H128-H188 AromaticContact CD2-NE2 3.89Å; H128-H188 PolarHBondContact N-O 3.1Å; H128-H188 PolarHBondContact O-N 2.89Å; H130-H188 AromaticContact NE2-CD2 3.84Å; H130-H188 AromaticContact NE2-NE2 3.41Å; H130-H188 PolarHBondContact NE2-NE2 3.13Å; H188-H190 AromaticContact CE1-CD2 3.41Å; H188-H190 PolarHBondContact CE1-CD2 2.97Å; H188-H190 VanDerWaalsContact CE1-CD2 3.41Å; H188-T193 VanDerWaalsContact CE1-CG2 3.42Å; H188-T193 WeakPolarHBondContact CE1-CG2 3.33Å; H188-I197 HydrophobicContact CB-CD1 4.06Å; H188-I197 HydrophobicContact CB-CG1 3.89Å; H188-L201 VanDerWaalsContact CA-O 3.22Å; H188-L201 WeakPolarHBondContact CA-O 3.33Å; H188-L201 VanDerWaalsContact CB-O 3.22Å; H188-L201 WeakPolarHBondContact CB-O 3.15Å; H188-I202 HydrophobicContact CB-CB 4.42Å; H188-H1045 AromaticContact CE1-NE2 3.92Å; H188-H1045 AromaticContact NE2-CE1 3.6Å; H188-H1045 AromaticContact NE2-NE2 3.27Å; H188-H1045 PolarHBondContact NE2-NE2 3.14Å |
| 189 | S | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -74.3 | 146.5 | 168.7 | 176.2 | 0 | 0 | 0 | 0 | 109.5 | Y80 S126 D196 L201 | Y80-S189 PolarHBondContact OH-N 2.74Å; S126-S189 PolarHBondContact N-OG 2.88Å; S126-S189 WeakPolarHBondContact O-CA 3.35Å; S126-S189 WeakPolarHBondContact O-CB 3.39Å; S189-D196 WeakPolarHBondContact CB-OD2 3.39Å; S189-D196 PolarHBondContact OG-OD2 3.24Å; S189-L201 PolarHBondContact N-O 2.77Å | ||
| 190 | H | 97.4 | Very high | 97 | Very high | 11 Ų | 11 | 13.2 Ų | 13.2 | 5% | 0.051 | 7% | 0.074 | C | C | . | . | B | Isolated β-bridge | trans | -140.5 | 43.3 | -168.6 | -160.4 | -48.4 | 0 | 0 | 0 | 111.6 | S126 H128 G140 A141 L142 H188 T193 H1003 H1043 | S126-H190 PolarHBondContact OG-N 3.45Å; H128-H190 HydrophobicContact CB-CB 3.77Å; H128-H190 AromaticContact CD2-CD2 3.77Å; H128-H190 AromaticContact CG-CD2 3.97Å; G140-H190 WeakPolarHBondContact O-CB 3.04Å; A141-H190 HydrophobicContact CB-CB 3.94Å; L142-H190 PolarHBondContact N-O 3.18Å; L142-H190 VanDerWaalsContact N-O 3.17Å; H188-H190 AromaticContact CE1-CD2 3.41Å; H188-H190 PolarHBondContact CE1-CD2 2.97Å; H188-H190 VanDerWaalsContact CE1-CD2 3.41Å; H190-T193 PolarHBondContact CD2-OG1 3.01Å; H190-T193 PolarHBondContact CE1-OG1 2.95Å; H190-T193 PolarHBondContact ND1-OG1 3.34Å; H190-T193 VanDerWaalsContact ND1-OG1 3.08Å; H190-T193 PolarHBondContact NE2-OG1 3.3Å; H190-H1003 AromaticContact CD2-CE1 3.94Å; H190-H1003 AromaticContact NE2-CE1 3.51Å; H190-H1003 AromaticContact NE2-NE2 3.58Å; H190-H1043 AromaticContact NE2-NE2 3.94Å |
| 191 | I | 94.7 | Very high | 97.2 | Very high | 35 Ų | 35 | 11.3 Ų | 11.3 | 18% | 0.179 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -86.2 | -55.6 | 167.5 | -62.3 | -176.2 | 0 | 0 | 0 | 108.9 | S124 Y125 L142 S156 D196 | S124-I191 WeakPolarHBondContact O-CD1 3.46Å; Y125-I191 VanDerWaalsContact CA-CD1 3.48Å; L142-I191 HydrophobicContact CD2-CG2 4.43Å; S156-I191 WeakPolarHBondContact OG-CD1 3.31Å; I191-D196 PolarHBondContact N-OD2 3.2Å |
| 192 | D | 95.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 8.7 Ų | 8.7 | 18% | 0.176 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -130.7 | 91.5 | 168.1 | -173.2 | -27.3 | 0 | 0 | 0 | 106 | P194 K195 D196 W245 H1051 | D192-P194 WeakPolarHBondContact OD1-CD 3.32Å; D192-K195 HydrophobicContact CB-CB 4.32Å; D192-K195 PolarHBondContact O-N 2.93Å; D192-K195 VanDerWaalsContact O-N 3.16Å; D192-K195 WeakPolarHBondContact OD2-CD 3.45Å; D192-D196 PolarHBondContact N-OD2 3.27Å; D192-D196 VanDerWaalsContact O-CB 3.23Å; D192-D196 WeakPolarHBondContact O-CB 2.98Å; D192-D196 PolarHBondContact O-N 3.28Å; D192-W245 HydrophobicContact CB-CZ2 3.75Å; D192-H1051 IonicContact OD1-CD2 2.78Å; D192-H1051 IonicContact OD1-CE1 3.04Å; D192-H1051 IonicContact OD1-NE2 3.01Å; D192-H1051 PolarHBondContact OD1-NE2 3.5Å; D192-H1051 IonicContact OD2-NE2 3.48Å |
| 193 | T | 95.1 | Very high | 97.4 | Very high | 6 Ų | 6 | 8.7 Ų | 8.7 | 4% | 0.037 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -53 | -49.7 | -165.4 | -60.8 | 0 | 0 | 0 | 0 | 113 | H188 H190 K195 D196 I197 | H188-T193 VanDerWaalsContact CE1-CG2 3.42Å; H188-T193 WeakPolarHBondContact CE1-CG2 3.33Å; H190-T193 PolarHBondContact CD2-OG1 3.01Å; H190-T193 PolarHBondContact CE1-OG1 2.95Å; H190-T193 PolarHBondContact ND1-OG1 3.34Å; H190-T193 VanDerWaalsContact ND1-OG1 3.08Å; H190-T193 PolarHBondContact NE2-OG1 3.3Å; T193-K195 PolarHBondContact O-N 3.48Å; T193-D196 PolarHBondContact O-N 2.03Å; T193-I197 HydrophobicContact CG2-CD1 3.62Å; T193-I197 HydrophobicContact CG2-CG1 4.4Å; T193-I197 WeakPolarHBondContact O-CB 3.39Å; T193-I197 VanDerWaalsContact O-CG1 3.29Å; T193-I197 WeakPolarHBondContact O-CG1 2.98Å; T193-I197 PolarHBondContact O-N 2.78Å |
| 194 | P | 95.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.006 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -55.4 | -52.1 | 176 | -30.9 | 40.1 | 0 | 0 | 0 | 113.5 | D192 D196 I197 A198 F1047 I1050 H1051 | D192-P194 WeakPolarHBondContact OD1-CD 3.32Å; P194-D196 PolarHBondContact O-N 3.41Å; P194-I197 PolarHBondContact O-N 3.16Å; P194-A198 VanDerWaalsContact O-CB 3.24Å; P194-A198 WeakPolarHBondContact O-CB 2.98Å; P194-A198 PolarHBondContact O-N 2.85Å; P194-F1047 HydrophobicContact CB-CB 3.79Å; P194-F1047 HydrophobicContact CB-CD1 3.95Å; P194-F1047 HydrophobicContact CB-CD2 3.83Å; P194-F1047 HydrophobicContact CB-CE2 4.41Å; P194-F1047 HydrophobicContact CB-CG 3.57Å; P194-F1047 HydrophobicContact CG-CB 3.87Å; P194-F1047 HydrophobicContact CG-CD1 3.92Å; P194-F1047 HydrophobicContact CG-CG 3.88Å; P194-I1050 HydrophobicContact CG-CB 4.41Å; P194-I1050 HydrophobicContact CG-CD1 4.35Å; P194-H1051 WeakPolarHBondContact CG-NE2 3.43Å |
| 195 | K | 97.4 | Very high | 97.5 | Very high | 57 Ų | 57 | 7.7 Ų | 7.7 | 25% | 0.248 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -69.1 | -38.8 | -175.7 | -58 | -169.4 | 69.7 | 163 | 0 | 112.5 | D192 T193 S199 L243 W245 | D192-K195 HydrophobicContact CB-CB 4.32Å; D192-K195 PolarHBondContact O-N 2.93Å; D192-K195 VanDerWaalsContact O-N 3.16Å; D192-K195 WeakPolarHBondContact OD2-CD 3.45Å; T193-K195 PolarHBondContact O-N 3.48Å; K195-S199 VanDerWaalsContact O-CB 3.29Å; K195-S199 WeakPolarHBondContact O-CB 3.32Å; K195-S199 PolarHBondContact O-N 3.32Å; K195-S199 PolarHBondContact O-OG 2.67Å; K195-L243 WeakPolarHBondContact CB-O 3.34Å; K195-L243 WeakPolarHBondContact CE-O 3.5Å; K195-L243 WeakPolarHBondContact CG-O 3.41Å; K195-W245 HydrophobicContact CB-CD2 4.16Å; K195-W245 VanDerWaalsContact CB-CE2 3.49Å; K195-W245 HydrophobicContact CB-CG 4.42Å; K195-W245 HydrophobicContact CB-CZ2 3.79Å; K195-W245 HydrophobicContact CD-CD2 4.43Å; K195-W245 HydrophobicContact CD-CE3 4.47Å; K195-W245 HydrophobicContact CD-CH2 3.73Å; K195-W245 HydrophobicContact CD-CZ2 3.67Å; K195-W245 HydrophobicContact CD-CZ3 4.15Å; K195-W245 HydrophobicContact CG-CZ2 4.29Å |
| 196 | D | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -64.3 | -43.1 | 178.8 | -75.6 | -4.2 | 0 | 0 | 0 | 111.4 | R123 Y125 S189 I191 D192 T193 P194 G200 L201 W245 | R123-D196 IonicContact NH1-OD1 2.7Å; R123-D196 PolarHBondContact NH1-OD1 3.4Å; Y125-D196 HydrophobicContact CE1-CB 4.5Å; Y125-D196 WeakPolarHBondContact CE1-OD1 3.47Å; S189-D196 WeakPolarHBondContact CB-OD2 3.39Å; S189-D196 PolarHBondContact OG-OD2 3.24Å; I191-D196 PolarHBondContact N-OD2 3.2Å; D192-D196 PolarHBondContact N-OD2 3.27Å; D192-D196 VanDerWaalsContact O-CB 3.23Å; D192-D196 WeakPolarHBondContact O-CB 2.98Å; D192-D196 PolarHBondContact O-N 3.28Å; T193-D196 PolarHBondContact O-N 2.03Å; P194-D196 PolarHBondContact O-N 3.41Å; D196-G200 PolarHBondContact O-N 3.31Å; D196-L201 WeakPolarHBondContact O-CB 3.29Å; D196-L201 PolarHBondContact O-N 2.87Å; D196-W245 PolarHBondContact OD1-NE1 2.87Å |
| 197 | I | 98.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 7.5 Ų | 7.5 | 5% | 0.046 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -72.4 | -45.7 | 177.9 | -66.4 | 174.6 | 0 | 0 | 0 | 111.2 | H188 T193 P194 S199 G200 I202 M302 F1047 | H188-I197 HydrophobicContact CB-CD1 4.06Å; H188-I197 HydrophobicContact CB-CG1 3.89Å; T193-I197 HydrophobicContact CG2-CD1 3.62Å; T193-I197 HydrophobicContact CG2-CG1 4.4Å; T193-I197 WeakPolarHBondContact O-CB 3.39Å; T193-I197 VanDerWaalsContact O-CG1 3.29Å; T193-I197 WeakPolarHBondContact O-CG1 2.98Å; T193-I197 PolarHBondContact O-N 2.78Å; P194-I197 PolarHBondContact O-N 3.16Å; I197-S199 PolarHBondContact O-N 2.87Å; I197-G200 WeakPolarHBondContact O-CA 3.27Å; I197-G200 PolarHBondContact O-N 3.37Å; I197-I202 HydrophobicContact CG2-CD1 4.49Å; I197-M302 HydrophobicContact CD1-CE 4.37Å; I197-M302 HydrophobicContact CD1-CG 4.24Å; I197-M302 HydrophobicContact CD1-SD 3.76Å; I197-M302 HydrophobicContact CG2-CG 3.56Å; I197-M302 HydrophobicContact CG2-SD 4.44Å; I197-F1047 HydrophobicContact CB-CE1 4.45Å; I197-F1047 HydrophobicContact CB-CZ 3.78Å; I197-F1047 HydrophobicContact CD1-CE1 4.1Å; I197-F1047 HydrophobicContact CD1-CZ 4.24Å; I197-F1047 HydrophobicContact CG2-CZ 3.73Å |
| 198 | A | 97.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 7.5 Ų | 7.5 | 3% | 0.033 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -53.9 | -38.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K77 P194 G200 D240 L243 | K77-A198 PolarHBondContact NZ-O 3.17Å; P194-A198 VanDerWaalsContact O-CB 3.24Å; P194-A198 WeakPolarHBondContact O-CB 2.98Å; P194-A198 PolarHBondContact O-N 2.85Å; A198-G200 PolarHBondContact O-N 2.79Å; A198-D240 WeakPolarHBondContact CB-O 3.45Å; A198-L243 HydrophobicContact CB-CB 3.85Å |
| 199 | S | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14.6 | 174.7 | -57.3 | 0 | 0 | 0 | 0 | 114.3 | K77 A78 K195 I197 W245 | K77-S199 CarbonylContact C-O 3.58Å; K77-S199 WeakPolarHBondContact CA-O 3.29Å; K77-S199 VanDerWaalsContact CB-O 3.25Å; K77-S199 WeakPolarHBondContact CB-O 3.5Å; A78-S199 PolarHBondContact N-O 3.03Å; K195-S199 VanDerWaalsContact O-CB 3.29Å; K195-S199 WeakPolarHBondContact O-CB 3.32Å; K195-S199 PolarHBondContact O-N 3.32Å; K195-S199 PolarHBondContact O-OG 2.67Å; I197-S199 PolarHBondContact O-N 2.87Å; S199-W245 VanDerWaalsContact OG-CD1 3.25Å; S199-W245 PolarHBondContact OG-N 3.34Å |
| 200 | G | 97.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 116.6 | 3.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | A78 D196 I197 A198 I202 | A78-G200 CarbonylContact O-C 3.56Å; A78-G200 VanDerWaalsContact O-CA 3.28Å; A78-G200 WeakPolarHBondContact O-CA 3.35Å; D196-G200 PolarHBondContact O-N 3.31Å; I197-G200 WeakPolarHBondContact O-CA 3.27Å; I197-G200 PolarHBondContact O-N 3.37Å; A198-G200 PolarHBondContact O-N 2.79Å; G200-I202 PolarHBondContact O-N 3Å |
| 201 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -86.9 | 73.3 | -173.5 | -67.3 | 178.7 | 0 | 0 | 0 | 113.8 | I34 A78 Y80 Y125 H188 S189 D196 | I34-L201 HydrophobicContact CG1-CD2 4.29Å; I34-L201 HydrophobicContact CG2-CD1 4.32Å; I34-L201 HydrophobicContact CG2-CD2 3.8Å; A78-L201 HydrophobicContact CB-CD1 4.13Å; A78-L201 HydrophobicContact CB-CD2 3.96Å; A78-L201 HydrophobicContact CB-CG 3.87Å; A78-L201 WeakPolarHBondContact O-CD2 3.48Å; A78-L201 PolarHBondContact O-N 2.91Å; Y80-L201 HydrophobicContact CD1-CD2 4.3Å; Y80-L201 HydrophobicContact CD2-CB 4.44Å; Y80-L201 HydrophobicContact CD2-CD2 4.13Å; Y80-L201 HydrophobicContact CE1-CD2 4.24Å; Y80-L201 VanDerWaalsContact CE2-C 3.47Å; Y80-L201 HydrophobicContact CE2-CB 3.8Å; Y80-L201 HydrophobicContact CE2-CD2 4.07Å; Y80-L201 HydrophobicContact CG-CD2 4.25Å; Y125-L201 HydrophobicContact CD1-CD1 3.2Å; Y125-L201 HydrophobicContact CD2-CD1 3.69Å; Y125-L201 HydrophobicContact CE1-CD1 3.39Å; Y125-L201 HydrophobicContact CE2-CD1 3.84Å; Y125-L201 HydrophobicContact CG-CD1 3.33Å; H188-L201 VanDerWaalsContact CA-O 3.22Å; H188-L201 WeakPolarHBondContact CA-O 3.33Å; H188-L201 VanDerWaalsContact CB-O 3.22Å; H188-L201 WeakPolarHBondContact CB-O 3.15Å; S189-L201 PolarHBondContact N-O 2.77Å; D196-L201 WeakPolarHBondContact O-CB 3.29Å; D196-L201 PolarHBondContact O-N 2.87Å | ||
| 202 | I | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 145.5 | 175.5 | -176.2 | 166.5 | 0 | 0 | 0 | 110.7 | F100 L101 G102 I186 Y187 H188 I197 G200 L235 F300 M302 | F100-I202 HydrophobicContact CE2-CG2 3.92Å; L101-I202 HydrophobicContact CD2-CG2 3.8Å; G102-I202 PolarHBondContact N-O 3.04Å; I186-I202 HydrophobicContact CD1-CD1 4.06Å; Y187-I202 CarbonylContact O-C 3.57Å; Y187-I202 WeakPolarHBondContact O-CA 3.45Å; H188-I202 HydrophobicContact CB-CB 4.42Å; I197-I202 HydrophobicContact CG2-CD1 4.49Å; G200-I202 PolarHBondContact O-N 3Å; I202-L235 HydrophobicContact CD1-CD1 4.39Å; I202-L235 HydrophobicContact CD1-CD2 4.49Å; I202-L235 HydrophobicContact CG2-CD2 4Å; I202-F300 HydrophobicContact CD1-CD2 4.37Å; I202-F300 HydrophobicContact CD1-CE2 3.98Å; I202-F300 HydrophobicContact CG1-CE2 4.34Å; I202-M302 HydrophobicContact CD1-CB 4.23Å; I202-M302 HydrophobicContact CD1-CE 3.94Å; I202-M302 HydrophobicContact CD1-CG 3.99Å |
| 203 | G | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 158.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I186 Y187 | I186-G203 CarbonylContact C-O 3.55Å; I186-G203 VanDerWaalsContact CA-O 3.31Å; I186-G203 WeakPolarHBondContact CA-O 3.44Å; Y187-G203 VanDerWaalsContact CD1-O 3.28Å; Y187-G203 WeakPolarHBondContact CD1-O 3.44Å; Y187-G203 PolarHBondContact N-O 3.02Å; Y187-G203 PolarHBondContact O-N 2.8Å |
| 204 | P | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 144 | -176.9 | 31.9 | -32.8 | 0 | 0 | 0 | 112.6 | L98 G102 I104 L105 Y187 Y233 F300 | L98-P204 HydrophobicContact CD1-CG 4.28Å; G102-P204 WeakPolarHBondContact O-CD 3.18Å; I104-P204 HydrophobicContact CB-CG 4.22Å; I104-P204 HydrophobicContact CG1-CG 3.71Å; I104-P204 HydrophobicContact CG2-CG 4.32Å; L105-P204 PolarHBondContact N-O 3.25Å; Y187-P204 WeakPolarHBondContact CE1-O 3.34Å; P204-Y233 HydrophobicContact CB-CD1 3.6Å; P204-Y233 HydrophobicContact CB-CE1 4.3Å; P204-Y233 HydrophobicContact CB-CG 4.23Å; P204-Y233 HydrophobicContact CG-CD1 4.06Å; P204-Y233 HydrophobicContact CG-CG 4.27Å; P204-F300 HydrophobicContact CB-CE1 4.14Å; P204-F300 HydrophobicContact CB-CZ 4.38Å |
| 205 | L | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 141.8 | 174.9 | 173.3 | 80.5 | 0 | 0 | 0 | 108.9 | L105 I113 H130 L132 W185 Y187 | L105-L205 HydrophobicContact CB-CB 4.41Å; L105-L205 HydrophobicContact CB-CD1 3.41Å; L105-L205 VanDerWaalsContact CB-CD1 3.41Å; L105-L205 HydrophobicContact CD1-CD1 4.28Å; L105-L205 HydrophobicContact CG-CD1 4.5Å; L105-L205 CarbonylContact O-C 3.56Å; L105-L205 WeakPolarHBondContact O-CA 3.38Å; I113-L205 HydrophobicContact CD1-CD1 3.73Å; H130-L205 WeakPolarHBondContact O-CD2 3.39Å; L132-L205 HydrophobicContact CD1-CD1 4.02Å; L132-L205 HydrophobicContact CD1-CD2 3.49Å; L132-L205 VanDerWaalsContact CD1-CD2 3.49Å; L132-L205 HydrophobicContact CD1-CG 4.37Å; L132-L205 HydrophobicContact CG-CD2 3.84Å; W185-L205 CarbonylContact C-O 3.55Å; W185-L205 WeakPolarHBondContact CA-O 3.27Å; W185-L205 HydrophobicContact CB-CB 4.02Å; W185-L205 HydrophobicContact CB-CD2 3.82Å; W185-L205 HydrophobicContact CB-CG 4.15Å; W185-L205 HydrophobicContact CG-CD2 4.35Å; W185-L205 PolarHBondContact N-O 3.19Å; W185-L205 PolarHBondContact O-N 2.93Å; Y187-L205 HydrophobicContact CD1-CB 4.23Å |
| 206 | I | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139 | 168.3 | 57.5 | 165 | 0 | 0 | 0 | 112 | L105 R106 A107 C182 L183 Y233 | L105-I206 PolarHBondContact O-N 2.9Å; R106-I206 HydrophobicContact CB-CD1 4.39Å; R106-I206 HydrophobicContact CB-CG1 4.04Å; R106-I206 HydrophobicContact CG-CD1 3.93Å; R106-I206 HydrophobicContact CG-CG1 3.72Å; A107-I206 PolarHBondContact N-O 2.82Å; A107-I206 VanDerWaalsContact N-O 3.09Å; C182-I206 HydrophobicContact CB-CD1 4.33Å; L183-I206 VanDerWaalsContact O-CA 3.26Å; L183-I206 WeakPolarHBondContact O-CA 3.4Å; L183-I206 WeakPolarHBondContact O-CB 3.05Å; L183-I206 WeakPolarHBondContact O-CG2 3.06Å; I206-Y233 WeakPolarHBondContact CD1-OH 3.45Å; I206-Y233 HydrophobicContact CG2-CE1 3.73Å |
| 207 | T | 95.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 132.9 | 166.6 | 66.8 | 0 | 0 | 0 | 0 | 109.9 | A107 L132 V169 F173 P175 C182 L183 W185 | A107-T207 CarbonylContact O-C 3.56Å; A107-T207 WeakPolarHBondContact O-CA 3.38Å; L132-T207 HydrophobicContact CD2-CG2 3.51Å; L132-T207 HydrophobicContact CG-CG2 4.25Å; V169-T207 HydrophobicContact CG1-CG2 4.39Å; F173-T207 PolarHBondContact O-OG1 2.88Å; P175-T207 WeakPolarHBondContact CG-O 3.47Å; C182-T207 CarbonylContact C-O 3.59Å; C182-T207 VanDerWaalsContact CA-O 3.23Å; C182-T207 WeakPolarHBondContact CA-O 3.47Å; L183-T207 PolarHBondContact N-O 3.42Å; L183-T207 PolarHBondContact O-N 3.43Å; W185-T207 PolarHBondContact NE1-OG1 2.57Å |
| 208 | C | 95.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 155.3 | -173.9 | -60 | 0 | 0 | 0 | 0 | 112.6 | A107 E108 L109 N181 C182 I212 L213 | A107-C208 PolarHBondContact O-N 3.03Å; E108-C208 VanDerWaalsContact CA-O 3.31Å; E108-C208 WeakPolarHBondContact CA-O 3.39Å; E108-C208 HydrophobicContact CG-CB 4.23Å; L109-C208 PolarHBondContact N-O 2.79Å; L109-C208 VanDerWaalsContact N-O 3.17Å; N181-C208 CarbonylContact O-C 3.6Å; N181-C208 VanDerWaalsContact O-CA 3.3Å; N181-C208 WeakPolarHBondContact O-CA 3.37Å; C182-C208 HydrophobicContact CB-CB 4.07Å; C182-C208 WeakPolarHBondContact CB-SG 3.13Å; C182-C208 WeakPolarHBondContact SG-CB 3.25Å; C182-C208 CovalentContact SG-SG 2.04Å; C182-C208 PolarHBondContact SG-SG 3.44Å; C208-I212 HydrophobicContact CB-CB 4.31Å; C208-L213 HydrophobicContact CB-CG 4.4Å |
| 209 | K | 95.2 | Very high | 84 | Confident | 46 Ų | 46 | 46.2 Ų | 46.2 | 20% | 0.2 | 24% | 0.242 | C | C | . | . | trans | -60.3 | 153 | 163.9 | -61.4 | 178.4 | -170.7 | 174.5 | 0 | 109.4 | P175 T176 N177 D179 N181 G211 I212 | P175-K209 HydrophobicContact CB-CG 4.21Å; P175-K209 HydrophobicContact CG-CG 4.41Å; T176-K209 WeakPolarHBondContact O-CE 3.26Å; T176-K209 PolarHBondContact O-NZ 3.48Å; N177-K209 PolarHBondContact O-NZ 3.48Å; D179-K209 PolarHBondContact O-NZ 3.34Å; N181-K209 PolarHBondContact O-N 2.04Å; K209-G211 PolarHBondContact O-N 3.35Å; K209-I212 HydrophobicContact CB-CG1 4.01Å; K209-I212 VanDerWaalsContact O-CG1 3.29Å; K209-I212 WeakPolarHBondContact O-CG1 3.26Å | ||
| 210 | K | 92.7 | Very high | 81.7 | Confident | 127 Ų | 127 | 50.6 Ų | 50.6 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 129.2 | -176.2 | -163.6 | 162.9 | -170.6 | 157.9 | 0 | 112.3 | L109 D110 | L109-K210 HydrophobicContact CB-CB 4.07Å; L109-K210 HydrophobicContact CD2-CB 4.42Å; L109-K210 HydrophobicContact CD2-CD 4.49Å; D110-K210 IonicContact OD2-NZ 3.07Å; D110-K210 PolarHBondContact OD2-NZ 3.42Å |
| 211 | G | 90 | Very high | 79 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 6.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116 | E108 K209 K226 | E108-G211 VanDerWaalsContact CD-N 3.3Å; E108-G211 PolarHBondContact OE1-N 2.75Å; E108-G211 PolarHBondContact OE2-N 2.72Å; E108-G211 VanDerWaalsContact OE2-N 3.1Å; K209-G211 PolarHBondContact O-N 3.35Å; G211-K226 WeakPolarHBondContact O-CD 3.45Å; G211-K226 PolarHBondContact O-NZ 2.8Å |
| 212 | I | 91.9 | Very high | 76.9 | Confident | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.138 | 33% | 0.331 | C | S | . | . | trans | -76.5 | -41.7 | 175.6 | -63.2 | -61.3 | 0 | 0 | 0 | 111.7 | E108 N181 C208 K209 R225 K226 | E108-I212 WeakPolarHBondContact OE1-CA 3.26Å; E108-I212 PolarHBondContact OE1-N 2.92Å; N181-I212 HydrophobicContact CB-CD1 3.88Å; N181-I212 HydrophobicContact CB-CG1 4.02Å; N181-I212 HydrophobicContact CB-CG2 4.16Å; C208-I212 HydrophobicContact CB-CB 4.31Å; K209-I212 HydrophobicContact CB-CG1 4.01Å; K209-I212 VanDerWaalsContact O-CG1 3.29Å; K209-I212 WeakPolarHBondContact O-CG1 3.26Å; I212-R225 HydrophobicContact CG2-CB 4.31Å; I212-R225 HydrophobicContact CG2-CG 4.09Å; I212-R225 WeakPolarHBondContact O-CA 3.49Å; I212-K226 WeakPolarHBondContact O-CB 3.36Å; I212-K226 WeakPolarHBondContact O-CG 3.46Å; I212-K226 PolarHBondContact O-N 2.83Å | ||
| 213 | L | 88.9 | Confident | 75.1 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 139.7 | 177.4 | -61.6 | -174.3 | 0 | 0 | 0 | 110.8 | R106 E108 C208 A224 R225 K226 | R106-L213 HydrophobicContact CB-CD1 3.91Å; E108-L213 HydrophobicContact CG-CB 3.94Å; E108-L213 HydrophobicContact CG-CD1 3.54Å; E108-L213 HydrophobicContact CG-CG 3.6Å; E108-L213 PolarHBondContact OE1-N 3.35Å; C208-L213 HydrophobicContact CB-CG 4.4Å; L213-A224 CarbonylContact C-O 3.57Å; L213-A224 WeakPolarHBondContact CA-O 3.24Å; L213-R225 HydrophobicContact CD2-CG 3.75Å; L213-K226 WeakPolarHBondContact O-CE 3.29Å |
| 214 | K | 83 | Confident | 74 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 154 | 171.2 | -67.6 | -177.3 | -174.2 | 150.4 | 0 | 109.8 | S223 A224 R225 K226 | K214-S223 VanDerWaalsContact CD-O 3.26Å; K214-S223 WeakPolarHBondContact CD-O 3.09Å; K214-S223 VanDerWaalsContact CE-O 3.32Å; K214-S223 WeakPolarHBondContact CE-O 3.36Å; K214-S223 PolarHBondContact NZ-O 3.35Å; K214-A224 PolarHBondContact N-O 2.77Å; K214-R225 WeakPolarHBondContact CE-O 3.41Å; K214-R225 PolarHBondContact NZ-O 3.01Å; K214-K226 HydrophobicContact CG-CG 3.76Å |
| 215 | N | 66.2 | Low | 73.6 | Confident | 128 Ų | 128 | 64.1 Ų | 64.1 | 68% | 0.684 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 140.1 | 167.7 | -77.8 | -32.5 | 0 | 0 | 0 | 108.8 | R26 G217 | R26-N215 PolarHBondContact NH1-OD1 3.05Å; N215-G217 PolarHBondContact O-N 3.03Å |
| 216 | P | 54.9 | Low | 73.2 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 64% | 0.636 | 38% | 0.377 | S | S | * | . | trans | -66.8 | 93.6 | -172.9 | 26.8 | -33 | 0 | 0 | 0 | 109.9 | ||||
| 217 | G | 45.9 | Very low | 72.9 | Confident | 62 Ų | 62 | 72.9 Ų | 72.9 | 64% | 0.639 | 39% | 0.39 | S | S | * | . | trans | -83.6 | 128 | 147.1 | 0 | 0 | 0 | 0 | 0 | 107 | N215 Q219 | N215-G217 PolarHBondContact O-N 3.03Å; G217-Q219 PolarHBondContact O-N 2.73Å | ||
| 218 | R | 41.3 | Very low | 72.8 | Confident | 236 Ų | 236 | 73.7 Ų | 73.7 | 89% | 0.891 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -65.9 | 39.7 | -177.1 | -101.5 | 180 | 175.1 | -178.5 | -2.8 | 114.3 | ||
| 219 | Q | 40.5 | Very low | 72.5 | Confident | 131 Ų | 131 | 76 Ų | 76 | 61% | 0.612 | 41% | 0.408 | S | S | * | . | trans | -112 | 124.1 | 176.7 | -72.5 | -164.2 | -10.2 | 0 | 0 | 111.1 | G217 S221 | G217-Q219 PolarHBondContact O-N 2.73Å; Q219-S221 PolarHBondContact O-N 2.8Å | ||
| 220 | V | 49.1 | Very low | 72.3 | Confident | 91 Ų | 91 | 76.1 Ų | 76.1 | 55% | 0.552 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 111.9 | A93 | A93-V220 HydrophobicContact CB-CG2 3.63Š|
| 221 | S | 41.6 | Very low | 72.2 | Confident | 106 Ų | 106 | 70.8 Ų | 70.8 | 74% | 0.741 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -1.8 | -171.6 | 74.9 | 0 | 0 | 0 | 0 | 116 | Q219 | Q219-S221 PolarHBondContact O-N 2.8Š|
| 222 | E | 55.2 | Low | 72.5 | Confident | 125 Ų | 125 | 69.2 Ų | 69.2 | 58% | 0.584 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -109.9 | 134.6 | 171.5 | -70 | -171.6 | 172.7 | 0 | 0 | 108.8 | A224 | E222-A224 PolarHBondContact O-N 2.75Š|
| 223 | S | 59.5 | Low | 72.8 | Confident | 13 Ų | 13 | 68 Ų | 68 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | trans | -50.3 | 135.2 | 175.3 | 163.5 | 0 | 0 | 0 | 0 | 110.1 | K214 R225 V228 D229 D231 | K214-S223 VanDerWaalsContact CD-O 3.26Å; K214-S223 WeakPolarHBondContact CD-O 3.09Å; K214-S223 VanDerWaalsContact CE-O 3.32Å; K214-S223 WeakPolarHBondContact CE-O 3.36Å; K214-S223 PolarHBondContact NZ-O 3.35Å; S223-R225 PolarHBondContact O-N 2.85Å; S223-R225 VanDerWaalsContact O-N 3.14Å; S223-R225 PolarHBondContact OG-N 3.13Å; S223-R225 PolarHBondContact OG-O 2.86Å; S223-V228 WeakPolarHBondContact CB-O 3.33Å; S223-V228 PolarHBondContact OG-O 3.21Å; S223-D229 WeakPolarHBondContact CB-O 3.22Å; S223-D231 PolarHBondContact OG-OD2 2.98Å | ||
| 224 | A | 76.4 | Confident | 73.2 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 29% | 0.289 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -67.2 | -8.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L213 K214 E222 | L213-A224 CarbonylContact C-O 3.57Å; L213-A224 WeakPolarHBondContact CA-O 3.24Å; K214-A224 PolarHBondContact N-O 2.77Å; E222-A224 PolarHBondContact O-N 2.75Å |
| 225 | R | 88.5 | Confident | 73.9 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -110.7 | 157.2 | 179.7 | -69.5 | 165.9 | 63.8 | 174.3 | 1.9 | 112 | I212 L213 K214 S223 D227 V228 D231 H298 | I212-R225 HydrophobicContact CG2-CB 4.31Å; I212-R225 HydrophobicContact CG2-CG 4.09Å; I212-R225 WeakPolarHBondContact O-CA 3.49Å; L213-R225 HydrophobicContact CD2-CG 3.75Å; K214-R225 WeakPolarHBondContact CE-O 3.41Å; K214-R225 PolarHBondContact NZ-O 3.01Å; S223-R225 PolarHBondContact O-N 2.85Å; S223-R225 VanDerWaalsContact O-N 3.14Å; S223-R225 PolarHBondContact OG-N 3.13Å; S223-R225 PolarHBondContact OG-O 2.86Å; R225-D227 WeakPolarHBondContact CB-OD1 3.33Å; R225-D227 IonicContact CZ-OD1 2.85Å; R225-D227 IonicContact CZ-OD2 3.41Å; R225-D227 IonicContact NE-OD1 3.75Å; R225-D227 PolarHBondContact NE-OD1 2.9Å; R225-D227 IonicContact NE-OD2 2.85Å; R225-D227 IonicContact NH2-OD1 3.88Å; R225-D227 PolarHBondContact NH2-OD1 2.02Å; R225-D227 IonicContact NH2-OD2 3.05Å; R225-D227 PolarHBondContact NH2-OD2 3.3Å; R225-V228 HydrophobicContact CB-CG2 3.97Å; R225-D231 WeakPolarHBondContact CD-OD1 3.18Å; R225-D231 WeakPolarHBondContact CD-OD2 3.45Å; R225-D231 IonicContact CZ-OD1 3.54Å; R225-D231 IonicContact NE-OD1 3.95Å; R225-D231 IonicContact NH1-OD1 3.74Å; R225-D231 PolarHBondContact NH1-OD1 3.38Å; R225-H298 PolarHBondContact NH1-NE2 3.43Å |
| 226 | K | 88.3 | Confident | 75.5 | Confident | 130 Ų | 130 | 58.2 Ų | 58.2 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -89.6 | -19.6 | 179.5 | -66 | 172.9 | -167.5 | 160.5 | 0 | 113.8 | G211 I212 L213 K214 | G211-K226 WeakPolarHBondContact O-CD 3.45Å; G211-K226 PolarHBondContact O-NZ 2.8Å; I212-K226 WeakPolarHBondContact O-CB 3.36Å; I212-K226 WeakPolarHBondContact O-CG 3.46Å; I212-K226 PolarHBondContact O-N 2.83Å; L213-K226 WeakPolarHBondContact O-CE 3.29Å; K214-K226 HydrophobicContact CG-CG 3.76Å |
| 227 | D | 91.5 | Very high | 77.5 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -94.6 | -16.3 | -172.5 | 62.2 | -40.9 | 0 | 0 | 0 | 114.1 | N181 R225 | N181-D227 WeakPolarHBondContact CB-OD2 3.37Å; N181-D227 PolarHBondContact ND2-OD2 2.62Å; R225-D227 WeakPolarHBondContact CB-OD1 3.33Å; R225-D227 IonicContact CZ-OD1 2.85Å; R225-D227 IonicContact CZ-OD2 3.41Å; R225-D227 IonicContact NE-OD1 3.75Å; R225-D227 PolarHBondContact NE-OD1 2.9Å; R225-D227 IonicContact NE-OD2 2.85Å; R225-D227 IonicContact NH2-OD1 3.88Å; R225-D227 PolarHBondContact NH2-OD1 2.02Å; R225-D227 IonicContact NH2-OD2 3.05Å; R225-D227 PolarHBondContact NH2-OD2 3.3Å |
| 228 | V | 92 | Very high | 80 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 11% | 0.109 | 26% | 0.258 | C | S | . | . | trans | -128.2 | 155.1 | 179.1 | -62 | 0 | 0 | 0 | 0 | 111.7 | S223 R225 P294 A296 | S223-V228 WeakPolarHBondContact CB-O 3.33Å; S223-V228 PolarHBondContact OG-O 3.21Å; R225-V228 HydrophobicContact CB-CG2 3.97Å; V228-P294 HydrophobicContact CG1-CB 4.43Å; V228-A296 HydrophobicContact CG1-CB 4.09Å; V228-A296 HydrophobicContact CG2-CB 4.29Å | ||
| 229 | D | 90.3 | Very high | 82.7 | Confident | 47 Ų | 47 | 40.2 Ų | 40.2 | 25% | 0.251 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -79.6 | -34.4 | 175.8 | -170.9 | 82.7 | 0 | 0 | 0 | 110.9 | S223 R293 P294 | S223-D229 WeakPolarHBondContact CB-O 3.22Å; D229-R293 HydrophobicContact CB-CB 3.86Å; D229-R293 VanDerWaalsContact OD1-CD 3.24Å; D229-R293 WeakPolarHBondContact OD1-CD 3.31Å; D229-R293 IonicContact OD1-CZ 2.63Å; D229-R293 IonicContact OD1-NH1 3.1Å; D229-R293 PolarHBondContact OD1-NH1 3.1Å; D229-P294 WeakPolarHBondContact CB-O 3Å; D229-P294 PolarHBondContact N-O 3.21Å |
| 230 | Q | 90.1 | Very high | 85.5 | Confident | 50 Ų | 50 | 35.4 Ų | 35.4 | 23% | 0.234 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 151.3 | 178.9 | -61.7 | -173.6 | 29.4 | 0 | 0 | 112.5 | K288 V295 A296 | Q230-K288 PolarHBondContact NE2-O 3.01Å; Q230-K288 PolarHBondContact OE1-O 3.43Å; Q230-K288 VanDerWaalsContact OE1-O 3.12Å; Q230-V295 HydrophobicContact CB-CG1 4.47Å; Q230-V295 WeakPolarHBondContact O-CA 2.98Å; Q230-A296 PolarHBondContact O-N 2.79Å |
| 231 | D | 91.6 | Very high | 87.8 | Confident | 15 Ų | 15 | 31 Ų | 31 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.3 | 171.8 | -65.3 | -84.7 | 0 | 0 | 0 | 108.6 | S223 R225 Y233 A296 H298 | S223-D231 PolarHBondContact OG-OD2 2.98Å; R225-D231 WeakPolarHBondContact CD-OD1 3.18Å; R225-D231 WeakPolarHBondContact CD-OD2 3.45Å; R225-D231 IonicContact CZ-OD1 3.54Å; R225-D231 IonicContact NE-OD1 3.95Å; R225-D231 IonicContact NH1-OD1 3.74Å; R225-D231 PolarHBondContact NH1-OD1 3.38Å; D231-Y233 HydrophobicContact CB-CE2 3.76Å; D231-A296 WeakPolarHBondContact CA-O 3.34Å; D231-H298 IonicContact OD1-NE2 2.75Å; D231-H298 PolarHBondContact OD1-NE2 3.38Å |
| 232 | I | 96 | Very high | 90.4 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.2 | 179.6 | -53.2 | -61.9 | 0 | 0 | 0 | 109.1 | W97 L234 I287 L289 V295 A296 W297 H298 | W97-I232 HydrophobicContact CE3-CG2 4.4Å; W97-I232 HydrophobicContact CZ2-CD1 4.03Å; I232-L234 HydrophobicContact CG2-CD2 4.05Å; I232-L234 HydrophobicContact CG2-CG 4.12Å; I232-I287 HydrophobicContact CD1-CG2 4.05Å; I232-I287 HydrophobicContact CG1-CG2 4.28Å; I232-I287 HydrophobicContact CG2-CD1 4.1Å; I232-L289 HydrophobicContact CG1-CD2 4.39Å; I232-V295 HydrophobicContact CG1-CG1 4.13Å; I232-A296 PolarHBondContact N-O 3.27Å; I232-W297 HydrophobicContact CB-CD2 4.3Å; I232-W297 HydrophobicContact CB-CE3 3.69Å; I232-W297 HydrophobicContact CB-CZ3 3.86Å; I232-W297 HydrophobicContact CG1-CE3 4.36Å; I232-W297 HydrophobicContact CG1-CZ3 4.25Å; I232-W297 HydrophobicContact CG2-CE3 3.69Å; I232-W297 HydrophobicContact CG2-CH2 4.4Å; I232-W297 HydrophobicContact CG2-CZ3 3.48Å; I232-W297 VanDerWaalsContact CG2-CZ3 3.48Å; I232-H298 PolarHBondContact O-N 3.18Å |
| 233 | Y | 97.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.2 | -176.2 | -57.1 | -104.3 | 0 | 0 | 0 | 109.2 | W97 I104 P204 I206 D231 N277 H298 | W97-Y233 AromaticContact CH2-CD2 3.7Å; W97-Y233 HydrophobicContact CH2-CD2 3.7Å; W97-Y233 HydrophobicContact CH2-CE2 4.47Å; W97-Y233 HydrophobicContact CZ3-CD2 4.03Å; I104-Y233 HydrophobicContact CD1-CD2 3.71Å; I104-Y233 HydrophobicContact CD1-CE2 3.7Å; I104-Y233 HydrophobicContact CD1-CG 4.44Å; I104-Y233 HydrophobicContact CG1-CD2 4.18Å; I104-Y233 HydrophobicContact CG1-CE2 4.24Å; I104-Y233 HydrophobicContact CG1-CG 4.45Å; I104-Y233 HydrophobicContact CG2-CD1 4.31Å; I104-Y233 HydrophobicContact CG2-CD2 4.46Å; I104-Y233 HydrophobicContact CG2-CE1 3.69Å; I104-Y233 HydrophobicContact CG2-CE2 3.87Å; I104-Y233 VanDerWaalsContact CG2-CZ 3.42Å; P204-Y233 HydrophobicContact CB-CD1 3.6Å; P204-Y233 HydrophobicContact CB-CE1 4.3Å; P204-Y233 HydrophobicContact CB-CG 4.23Å; P204-Y233 HydrophobicContact CG-CD1 4.06Å; P204-Y233 HydrophobicContact CG-CG 4.27Å; I206-Y233 WeakPolarHBondContact CD1-OH 3.45Å; I206-Y233 HydrophobicContact CG2-CE1 3.73Å; D231-Y233 HydrophobicContact CB-CE2 3.76Å; Y233-N277 PolarHBondContact O-ND2 2.82Å; Y233-H298 CarbonylContact C-O 3.59Å; Y233-H298 VanDerWaalsContact CA-O 3.3Å; Y233-H298 WeakPolarHBondContact CA-O 3.15Å; Y233-H298 HydrophobicContact CD1-CB 3.42Å; Y233-H298 VanDerWaalsContact CD1-CB 3.42Å; Y233-H298 AromaticContact CD1-CG 3.85Å; Y233-H298 HydrophobicContact CE1-CB 3.77Å; Y233-H298 AromaticContact CE1-CD2 3.55Å; Y233-H298 AromaticContact CE1-CG 3.63Å; Y233-H298 HydrophobicContact CG-CB 4.03Å; Y233-H298 AromaticContact CZ-CD2 3.68Å |
| 234 | L | 98.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.1 | -177.2 | -55.8 | 179.4 | 0 | 0 | 0 | 110.8 | I232 F236 I276 N277 L284 I287 W297 H298 L299 F300 L350 | I232-L234 HydrophobicContact CG2-CD2 4.05Å; I232-L234 HydrophobicContact CG2-CG 4.12Å; L234-F236 HydrophobicContact CB-CD2 4.39Å; L234-F236 HydrophobicContact CB-CE2 3.97Å; L234-F236 HydrophobicContact CD1-CE2 4.23Å; L234-I276 HydrophobicContact CB-CG2 4.23Å; L234-I276 HydrophobicContact CD1-CG2 4.45Å; L234-I276 HydrophobicContact CD2-CG2 3.98Å; L234-I276 HydrophobicContact CG-CG2 4.46Å; L234-N277 WeakPolarHBondContact CA-OD1 3.12Å; L234-L284 HydrophobicContact CD2-CD2 4.03Å; L234-I287 HydrophobicContact CD2-CD1 4.2Å; L234-W297 HydrophobicContact CD1-CE3 3.94Å; L234-W297 HydrophobicContact CD1-CZ3 3.79Å; L234-W297 HydrophobicContact CG-CE3 4.49Å; L234-W297 HydrophobicContact CG-CZ3 4.49Å; L234-H298 PolarHBondContact N-O 2.82Å; L234-L299 HydrophobicContact CB-CD2 3.81Å; L234-L299 HydrophobicContact CD1-CD2 3.88Å; L234-L299 HydrophobicContact CG-CD2 4.12Å; L234-L299 WeakPolarHBondContact O-CA 3.24Å; L234-F300 WeakPolarHBondContact O-CD1 3.19Å; L234-F300 PolarHBondContact O-N 2.92Å; L234-L350 HydrophobicContact CD1-CD2 3.27Å |
| 235 | L | 98.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 125.7 | 163.9 | 172.4 | 61.2 | 0 | 0 | 0 | 108.4 | F100 L101 I202 I276 N277 F300 M302 | F100-L235 HydrophobicContact CE2-CD2 4.1Å; F100-L235 HydrophobicContact CZ-CD2 4.09Å; L101-L235 HydrophobicContact CD1-CB 4.19Å; L101-L235 HydrophobicContact CD2-CB 3.89Å; L101-L235 HydrophobicContact CD2-CD2 3.65Å; L101-L235 HydrophobicContact CD2-CG 4.41Å; I202-L235 HydrophobicContact CD1-CD1 4.39Å; I202-L235 HydrophobicContact CD1-CD2 4.49Å; I202-L235 HydrophobicContact CG2-CD2 4Å; L235-I276 CarbonylContact O-C 3.58Å; L235-I276 VanDerWaalsContact O-CA 3.31Å; L235-I276 WeakPolarHBondContact O-CA 3.47Å; L235-N277 PolarHBondContact N-OD1 2.96Å; L235-N277 PolarHBondContact O-N 3.19Å; L235-F300 WeakPolarHBondContact CA-O 3.41Å; L235-F300 HydrophobicContact CB-CD2 4.11Å; L235-F300 HydrophobicContact CB-CE2 3.51Å; L235-F300 HydrophobicContact CB-CZ 3.78Å; L235-F300 HydrophobicContact CD1-CD2 3.48Å; L235-F300 VanDerWaalsContact CD1-CD2 3.48Å; L235-F300 HydrophobicContact CD1-CE2 3.51Å; L235-F300 HydrophobicContact CD2-CE2 4.39Å; L235-F300 HydrophobicContact CG-CD2 4.36Å; L235-F300 HydrophobicContact CG-CE2 3.96Å; L235-M302 HydrophobicContact CD1-CB 3.55Å |
| 236 | F | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.5 | 164 | -73.9 | -108.5 | 0 | 0 | 0 | 107.7 | L234 I276 L299 F300 G301 M302 H309 A311 L330 L350 M362 | L234-F236 HydrophobicContact CB-CD2 4.39Å; L234-F236 HydrophobicContact CB-CE2 3.97Å; L234-F236 HydrophobicContact CD1-CE2 4.23Å; F236-I276 HydrophobicContact CD1-CD1 4.4Å; F236-I276 HydrophobicContact CD1-CG1 4.11Å; F236-I276 HydrophobicContact CE1-CD1 3.68Å; F236-I276 HydrophobicContact CE1-CG1 3.87Å; F236-I276 HydrophobicContact CZ-CD1 3.86Å; F236-I276 HydrophobicContact CZ-CG1 4.18Å; F236-L299 HydrophobicContact CE2-CD2 4.42Å; F236-F300 PolarHBondContact N-O 2.87Å; F236-G301 WeakPolarHBondContact O-CA 3.34Å; F236-M302 PolarHBondContact O-N 3Å; F236-M302 VanDerWaalsContact O-N 3.11Å; F236-H309 HydrophobicContact CB-CB 3.93Å; F236-H309 HydrophobicContact CD1-CB 4.25Å; F236-H309 HydrophobicContact CG-CB 4.36Å; F236-A311 HydrophobicContact CD1-CB 4.43Å; F236-A311 HydrophobicContact CE1-CB 3.78Å; F236-A311 HydrophobicContact CE2-CB 3.93Å; F236-A311 HydrophobicContact CZ-CB 3.5Å; F236-L330 HydrophobicContact CB-CD1 4.14Å; F236-L330 HydrophobicContact CD2-CD1 3.57Å; F236-L330 HydrophobicContact CE2-CD1 4.21Å; F236-L330 HydrophobicContact CG-CD1 3.95Å; F236-L350 HydrophobicContact CZ-CD1 4.23Å; F236-L350 HydrophobicContact CZ-CD2 4.21Å; F236-L350 HydrophobicContact CZ-CG 4.24Å; F236-M362 HydrophobicContact CB-SD 4.47Å; F236-M362 HydrophobicContact CD1-CG 4.4Å; F236-M362 HydrophobicContact CD1-SD 3.77Å |
| 237 | S | 98 | Very high | 96.1 | Very high | 7 Ų | 7 | 20 Ų | 20 | 5% | 0.049 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 135 | -176.5 | -175.6 | 0 | 0 | 0 | 0 | 110.8 | V239 A275 M302 D307 | S237-V239 PolarHBondContact O-N 3.45Å; S237-A275 PolarHBondContact N-O 2.78Å; S237-A275 PolarHBondContact O-N 3Å; S237-M302 WeakPolarHBondContact CA-O 3.47Å; S237-M302 WeakPolarHBondContact CB-O 3.46Å; S237-M302 PolarHBondContact OG-O 2.74Å; S237-D307 WeakPolarHBondContact CA-OD1 3.23Å |
| 238 | V | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 94.1 | 157.3 | -172.2 | 0 | 0 | 0 | 0 | 106.4 | D240 L272 H274 V306 D307 M362 | V238-D240 PolarHBondContact O-N 2.8Å; V238-L272 HydrophobicContact CG1-CB 3.79Å; V238-L272 HydrophobicContact CG1-CD2 4.46Å; V238-H274 VanDerWaalsContact CG2-CD2 3.49Å; V238-H274 WeakPolarHBondContact CG2-CD2 3.47Å; V238-V306 HydrophobicContact CB-CG2 4.08Å; V238-V306 HydrophobicContact CG1-CG2 4.23Å; V238-V306 HydrophobicContact CG2-CG2 4.08Å; V238-D307 PolarHBondContact N-OD1 3.05Å; V238-M362 HydrophobicContact CG2-CE 4.05Å |
| 239 | V | 98.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 4% | 0.036 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 96 | -176.7 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | Y41 F100 S237 E241 M273 A275 | Y41-V239 HydrophobicContact CE1-CB 4.29Å; Y41-V239 HydrophobicContact CE1-CG2 4.45Å; Y41-V239 VanDerWaalsContact OH-CG1 3.23Å; Y41-V239 WeakPolarHBondContact OH-CG1 3.24Å; F100-V239 HydrophobicContact CE1-CG2 4.19Å; F100-V239 HydrophobicContact CZ-CG2 4.08Å; S237-V239 PolarHBondContact O-N 3.45Å; V239-E241 PolarHBondContact O-N 2.77Å; V239-M273 HydrophobicContact CB-CB 4.2Å; V239-M273 PolarHBondContact N-O 3.2Å; V239-M273 PolarHBondContact O-N 3.26Å; V239-A275 HydrophobicContact CG2-CB 4.45Å |
| 240 | D | 97.8 | Very high | 96.7 | Very high | 30 Ų | 30 | 22.4 Ų | 22.4 | 16% | 0.16 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 102 | 178.4 | -175.9 | -4.1 | 0 | 0 | 0 | 111.3 | A198 V238 N242 L243 L272 | A198-D240 WeakPolarHBondContact CB-O 3.45Å; V238-D240 PolarHBondContact O-N 2.8Å; D240-N242 PolarHBondContact O-N 2.96Å; D240-N242 WeakPolarHBondContact OD1-CA 3.28Å; D240-N242 WeakPolarHBondContact OD1-CB 3.35Å; D240-N242 PolarHBondContact OD1-N 3.21Å; D240-N242 PolarHBondContact OD1-ND2 2.71Å; D240-L243 HydrophobicContact CB-CD1 4.26Å; D240-L243 HydrophobicContact CB-CG 4.43Å; D240-L243 PolarHBondContact O-N 2.6Å; D240-L243 WeakPolarHBondContact OD2-CG 3.33Å; D240-L272 HydrophobicContact CB-CD2 3.65Å; D240-L272 VanDerWaalsContact CG-CD2 3.4Å; D240-L272 WeakPolarHBondContact OD1-CD2 3.41Å |
| 241 | E | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -10 | 177.3 | -67.2 | -76.9 | -173.7 | 0 | 0 | 113.1 | Y41 Y75 K77 V239 L243 S244 N271 | Y41-E241 PolarHBondContact OH-OE1 3.31Å; Y75-E241 WeakPolarHBondContact CB-OE1 3.47Å; Y75-E241 HydrophobicContact CD1-CB 3.58Å; Y75-E241 HydrophobicContact CD1-CG 3.44Å; Y75-E241 VanDerWaalsContact CD1-CG 3.44Å; Y75-E241 HydrophobicContact CD2-CG 4.24Å; Y75-E241 HydrophobicContact CE1-CB 3.5Å; Y75-E241 VanDerWaalsContact CE1-CB 3.5Å; Y75-E241 HydrophobicContact CE1-CG 3.67Å; Y75-E241 HydrophobicContact CE2-CG 4.43Å; Y75-E241 HydrophobicContact CG-CB 4.41Å; Y75-E241 HydrophobicContact CG-CG 3.77Å; K77-E241 IonicContact NZ-OE1 3.91Å; K77-E241 PolarHBondContact NZ-OE1 3.18Å; K77-E241 IonicContact NZ-OE2 2.84Å; V239-E241 PolarHBondContact O-N 2.77Å; E241-L243 VanDerWaalsContact C-N 3.31Å; E241-S244 WeakPolarHBondContact O-CB 3.08Å; E241-S244 PolarHBondContact O-N 2.9Å; E241-S244 VanDerWaalsContact OE2-CB 3.23Å; E241-S244 WeakPolarHBondContact OE2-CB 3.49Å; E241-S244 PolarHBondContact OE2-OG 3.39Å; E241-N271 HydrophobicContact CB-CB 4.24Å; E241-N271 PolarHBondContact N-O 3.49Å; E241-N271 VanDerWaalsContact N-O 3.1Å |
| 242 | N | 96.7 | Very high | 97 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 20% | 0.198 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -32.7 | 171.6 | -49.7 | -67.6 | 0 | 0 | 0 | 110.9 | D240 S244 E268 N271 | D240-N242 PolarHBondContact O-N 2.96Å; D240-N242 WeakPolarHBondContact OD1-CA 3.28Å; D240-N242 WeakPolarHBondContact OD1-CB 3.35Å; D240-N242 PolarHBondContact OD1-N 3.21Å; D240-N242 PolarHBondContact OD1-ND2 2.71Å; N242-S244 VanDerWaalsContact C-N 3.34Å; N242-E268 PolarHBondContact ND2-O 3.15Å; N242-N271 WeakPolarHBondContact OD1-CB 3.42Å; N242-N271 PolarHBondContact OD1-ND2 2.85Å |
| 243 | L | 96.2 | Very high | 96.6 | Very high | 41 Ų | 41 | 29.8 Ų | 29.8 | 22% | 0.215 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -79.4 | -15.7 | 174.5 | -67.4 | 176.3 | 0 | 0 | 0 | 113.7 | K195 A198 D240 E241 F1047 | K195-L243 WeakPolarHBondContact CB-O 3.34Å; K195-L243 WeakPolarHBondContact CE-O 3.5Å; K195-L243 WeakPolarHBondContact CG-O 3.41Å; A198-L243 HydrophobicContact CB-CB 3.85Å; D240-L243 HydrophobicContact CB-CD1 4.26Å; D240-L243 HydrophobicContact CB-CG 4.43Å; D240-L243 PolarHBondContact O-N 2.6Å; D240-L243 WeakPolarHBondContact OD2-CG 3.33Å; E241-L243 VanDerWaalsContact C-N 3.31Å; L243-F1047 HydrophobicContact CD1-CD2 3.95Å |
| 244 | S | 97.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 30 Ų | 30 | 4% | 0.035 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -58.9 | 140.5 | -177.5 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | E241 N242 Y246 L247 | E241-S244 WeakPolarHBondContact O-CB 3.08Å; E241-S244 PolarHBondContact O-N 2.9Å; E241-S244 VanDerWaalsContact OE2-CB 3.23Å; E241-S244 WeakPolarHBondContact OE2-CB 3.49Å; E241-S244 PolarHBondContact OE2-OG 3.39Å; N242-S244 VanDerWaalsContact C-N 3.34Å; S244-Y246 PolarHBondContact O-N 3.22Å; S244-Y246 PolarHBondContact OG-N 3.07Å; S244-L247 PolarHBondContact O-N 2.93Å |
| 245 | W | 97.6 | Very high | 95.8 | Very high | 79 Ų | 79 | 35.1 Ų | 35.1 | 30% | 0.299 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -17.6 | 171.8 | -72.9 | 113.4 | 0 | 0 | 0 | 112.9 | R123 Y125 D192 K195 D196 S199 | R123-W245 VanDerWaalsContact CZ-CD2 3.46Å; Y125-W245 AromaticContact CE1-CD1 3.96Å; D192-W245 HydrophobicContact CB-CZ2 3.75Å; K195-W245 HydrophobicContact CB-CD2 4.16Å; K195-W245 VanDerWaalsContact CB-CE2 3.49Å; K195-W245 HydrophobicContact CB-CG 4.42Å; K195-W245 HydrophobicContact CB-CZ2 3.79Å; K195-W245 HydrophobicContact CD-CD2 4.43Å; K195-W245 HydrophobicContact CD-CE3 4.47Å; K195-W245 HydrophobicContact CD-CH2 3.73Å; K195-W245 HydrophobicContact CD-CZ2 3.67Å; K195-W245 HydrophobicContact CD-CZ3 4.15Å; K195-W245 HydrophobicContact CG-CZ2 4.29Å; D196-W245 PolarHBondContact OD1-NE1 2.87Å; S199-W245 VanDerWaalsContact OG-CD1 3.25Å; S199-W245 PolarHBondContact OG-N 3.34Å |
| 246 | Y | 97.9 | Very high | 95.4 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 9.4 | -173.9 | -55.9 | -67.6 | 0 | 0 | 0 | 114 | E36 K76 A78 Y125 S244 E248 D249 N250 | E36-Y246 VanDerWaalsContact CD-OH 3.24Å; E36-Y246 HydrophobicContact CG-CE1 4.17Å; E36-Y246 VanDerWaalsContact CG-OH 3.26Å; E36-Y246 WeakPolarHBondContact CG-OH 3.4Å; E36-Y246 WeakPolarHBondContact OE1-CE1 3.38Å; E36-Y246 PolarHBondContact OE1-OH 2.88Å; K76-Y246 HydrophobicContact CD-CD1 3.92Å; K76-Y246 HydrophobicContact CD-CE1 4.5Å; K76-Y246 HydrophobicContact CD-CG 4.29Å; K76-Y246 HydrophobicContact CG-CD1 4.27Å; K76-Y246 HydrophobicContact CG-CG 4.21Å; K76-Y246 WeakPolarHBondContact O-CB 3.49Å; A78-Y246 HydrophobicContact CB-CE2 3.72Å; Y125-Y246 PolarHBondContact OH-OH 3.37Å; Y125-Y246 VanDerWaalsContact OH-OH 3.08Å; S244-Y246 PolarHBondContact O-N 3.22Å; S244-Y246 PolarHBondContact OG-N 3.07Å; Y246-E248 VanDerWaalsContact C-N 3.34Å; Y246-E248 PolarHBondContact O-N 3.07Å; Y246-D249 WeakPolarHBondContact O-CA 3.49Å; Y246-D249 WeakPolarHBondContact O-CB 3.29Å; Y246-D249 PolarHBondContact O-N 3.41Å; Y246-N250 WeakPolarHBondContact O-CB 3.33Å; Y246-N250 VanDerWaalsContact O-CG 3.28Å; Y246-N250 PolarHBondContact O-N 2.93Å; Y246-N250 PolarHBondContact O-ND2 3.01Å; Y246-N250 VanDerWaalsContact O-ND2 3.14Å |
| 247 | L | 97.1 | Very high | 94.9 | Very high | 21 Ų | 21 | 39.7 Ų | 39.7 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -50.4 | -51.6 | 179.5 | 179.2 | 62.6 | 0 | 0 | 0 | 112.2 | I71 S244 D249 N250 I251 L262 F267 | I71-L247 HydrophobicContact CD1-CD1 4.24Å; S244-L247 PolarHBondContact O-N 2.93Å; L247-D249 VanDerWaalsContact C-N 3.29Å; L247-D249 PolarHBondContact O-N 2.98Å; L247-N250 CarbonylContact O-C 3.6Å; L247-N250 WeakPolarHBondContact O-CA 3.22Å; L247-N250 WeakPolarHBondContact O-CB 3.12Å; L247-N250 PolarHBondContact O-N 2.97Å; L247-I251 HydrophobicContact CD1-CD1 4.14Å; L247-I251 HydrophobicContact CD1-CG1 4.21Å; L247-I251 HydrophobicContact CD2-CD1 4.48Å; L247-I251 HydrophobicContact CG-CD1 3.9Å; L247-I251 HydrophobicContact CG-CG1 4.39Å; L247-I251 WeakPolarHBondContact O-CG1 3.49Å; L247-I251 PolarHBondContact O-N 3.34Å; L247-L262 HydrophobicContact CD2-CD2 4.13Å; L247-F267 HydrophobicContact CD1-CZ 4.35Å |
| 248 | E | 95.3 | Very high | 94.5 | Very high | 114 Ų | 114 | 47.6 Ų | 47.6 | 53% | 0.533 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.6 | -33.3 | 178.1 | -69.4 | -62.6 | 154.1 | 0 | 0 | 113.8 | Y246 N250 K252 | Y246-E248 VanDerWaalsContact C-N 3.34Å; Y246-E248 PolarHBondContact O-N 3.07Å; E248-N250 VanDerWaalsContact C-N 3.33Å; E248-K252 VanDerWaalsContact O-CE 3.3Å; E248-K252 WeakPolarHBondContact O-CE 3.43Å; E248-K252 WeakPolarHBondContact O-CG 3.1Å |
| 249 | D | 95.2 | Very high | 93.8 | Very high | 53 Ų | 53 | 55.9 Ų | 55.9 | 28% | 0.283 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -71.1 | -32.6 | 173.5 | -82.1 | -16.1 | 0 | 0 | 0 | 111.4 | K76 Y246 L247 K252 | K76-D249 HydrophobicContact CD-CB 4.14Å; K76-D249 IonicContact NZ-OD2 3.45Å; K76-D249 PolarHBondContact NZ-OD2 3.29Å; Y246-D249 WeakPolarHBondContact O-CA 3.49Å; Y246-D249 WeakPolarHBondContact O-CB 3.29Å; Y246-D249 PolarHBondContact O-N 3.41Å; L247-D249 VanDerWaalsContact C-N 3.29Å; L247-D249 PolarHBondContact O-N 2.98Å; D249-K252 IonicContact OD1-NZ 3.4Å; D249-K252 PolarHBondContact OD1-NZ 3.1Å |
| 250 | N | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -80 | -35.4 | -179.4 | -68.8 | -34.1 | 0 | 0 | 0 | 112.7 | I71 Y75 K76 Y246 L247 E248 K252 R253 | I71-N250 HydrophobicContact CD1-CB 3.93Å; I71-N250 HydrophobicContact CG2-CB 4.27Å; Y75-N250 HydrophobicContact CD1-CB 4.08Å; K76-N250 VanDerWaalsContact CB-OD1 3.23Å; K76-N250 WeakPolarHBondContact CB-OD1 3.16Å; K76-N250 PolarHBondContact N-OD1 3.2Å; K76-N250 PolarHBondContact O-ND2 3.26Å; Y246-N250 WeakPolarHBondContact O-CB 3.33Å; Y246-N250 VanDerWaalsContact O-CG 3.28Å; Y246-N250 PolarHBondContact O-N 2.93Å; Y246-N250 PolarHBondContact O-ND2 3.01Å; Y246-N250 VanDerWaalsContact O-ND2 3.14Å; L247-N250 CarbonylContact O-C 3.6Å; L247-N250 WeakPolarHBondContact O-CA 3.22Å; L247-N250 WeakPolarHBondContact O-CB 3.12Å; L247-N250 PolarHBondContact O-N 2.97Å; E248-N250 VanDerWaalsContact C-N 3.33Å; N250-K252 PolarHBondContact O-N 2.79Å; N250-R253 WeakPolarHBondContact O-CA 3.46Å; N250-R253 WeakPolarHBondContact O-CB 3.38Å; N250-R253 WeakPolarHBondContact O-CG 3.28Å; N250-R253 PolarHBondContact O-N 3.41Å |
| 251 | I | 95.8 | Very high | 93 | Very high | 12 Ų | 12 | 58.5 Ų | 58.5 | 6% | 0.062 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.2 | -32.7 | 174.4 | -73.1 | 169 | 0 | 0 | 0 | 111.6 | I71 L247 R253 C254 P257 V260 L262 F267 | I71-I251 HydrophobicContact CD1-CG1 4.27Å; L247-I251 HydrophobicContact CD1-CD1 4.14Å; L247-I251 HydrophobicContact CD1-CG1 4.21Å; L247-I251 HydrophobicContact CD2-CD1 4.48Å; L247-I251 HydrophobicContact CG-CD1 3.9Å; L247-I251 HydrophobicContact CG-CG1 4.39Å; L247-I251 WeakPolarHBondContact O-CG1 3.49Å; L247-I251 PolarHBondContact O-N 3.34Å; I251-R253 PolarHBondContact O-N 2.93Å; I251-C254 VanDerWaalsContact O-CB 3.27Å; I251-C254 WeakPolarHBondContact O-CB 3.26Å; I251-C254 PolarHBondContact O-N 3.32Å; I251-C254 PolarHBondContact O-SG 3.15Å; I251-P257 HydrophobicContact CG2-CB 4.05Å; I251-P257 WeakPolarHBondContact O-CB 3.36Å; I251-P257 WeakPolarHBondContact O-CG 3.5Å; I251-V260 HydrophobicContact CD1-CG1 4.3Å; I251-V260 HydrophobicContact CG1-CG1 4.46Å; I251-V260 HydrophobicContact CG2-CB 4.25Å; I251-V260 HydrophobicContact CG2-CG2 4.14Å; I251-L262 HydrophobicContact CD1-CD2 3.67Å; I251-F267 HydrophobicContact CD1-CZ 4.2Å; I251-F267 HydrophobicContact CG1-CZ 3.98Å |
| 252 | K | 92.4 | Very high | 92.5 | Very high | 137 Ų | 137 | 62 Ų | 62 | 60% | 0.596 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -14.1 | 174.2 | -63.8 | 165 | -164.9 | 158.8 | 0 | 113.3 | E248 D249 N250 | E248-K252 VanDerWaalsContact O-CE 3.3Å; E248-K252 WeakPolarHBondContact O-CE 3.43Å; E248-K252 WeakPolarHBondContact O-CG 3.1Å; D249-K252 IonicContact OD1-NZ 3.4Å; D249-K252 PolarHBondContact OD1-NZ 3.1Å; N250-K252 PolarHBondContact O-N 2.79Å |
| 253 | R | 87.4 | Confident | 91.9 | Very high | 74 Ų | 74 | 67.1 Ų | 67.1 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -17.6 | 174.3 | -56.4 | 178 | 175.8 | -113.9 | -13.6 | 112.6 | D38 R66 N250 I251 | D38-R253 IonicContact OD1-CZ 3.76Å; D38-R253 IonicContact OD1-NH1 2.77Å; D38-R253 IonicContact OD1-NH2 3.67Å; D38-R253 PolarHBondContact OD1-NH2 3.14Å; D38-R253 IonicContact OD2-CZ 3.49Å; D38-R253 VanDerWaalsContact OD2-CZ 3.26Å; D38-R253 IonicContact OD2-NH1 3.99Å; D38-R253 PolarHBondContact OD2-NH1 3.49Å; D38-R253 IonicContact OD2-NH2 3.63Å; D38-R253 PolarHBondContact OD2-NH2 3.32Å; R66-R253 PolarHBondContact NE-O 3.25Å; R66-R253 PolarHBondContact NH2-O 3.08Å; N250-R253 WeakPolarHBondContact O-CA 3.46Å; N250-R253 WeakPolarHBondContact O-CB 3.38Å; N250-R253 WeakPolarHBondContact O-CG 3.28Å; N250-R253 PolarHBondContact O-N 3.41Å; I251-R253 PolarHBondContact O-N 2.93Å |
| 254 | C | 89.6 | Confident | 91.7 | Very high | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.034 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -58.4 | 156.1 | 173.1 | -62.4 | 0 | 0 | 0 | 0 | 110.9 | K68 R70 I251 E256 P257 V260 | K68-C254 WeakPolarHBondContact O-CB 3.22Å; R70-C254 VanDerWaalsContact C-SG 3.55Å; I251-C254 VanDerWaalsContact O-CB 3.27Å; I251-C254 WeakPolarHBondContact O-CB 3.26Å; I251-C254 PolarHBondContact O-N 3.32Å; I251-C254 PolarHBondContact O-SG 3.15Å; C254-E256 VanDerWaalsContact C-N 3.3Å; C254-P257 HydrophobicContact CB-CG 4.33Å; C254-P257 WeakPolarHBondContact O-CD 3.2Å; C254-V260 HydrophobicContact CB-CG2 4.33Å |
| 255 | L | 88.6 | Confident | 91.3 | Very high | 107 Ų | 107 | 71 Ų | 71 | 56% | 0.56 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -71.8 | -27.8 | 177.8 | -55.8 | 169.5 | 0 | 0 | 0 | 112 | G67 | G67-L255 WeakPolarHBondContact O-CG 3.16Å; G67-L255 PolarHBondContact O-N 2.72Å |
| 256 | E | 91.2 | Very high | 91 | Very high | 56 Ų | 56 | 73.3 Ų | 73.3 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -134.1 | 70.6 | 177.1 | -61.4 | -176.8 | -148.4 | 0 | 0 | 111.2 | K68 C254 D258 R259 | K68-E256 HydrophobicContact CB-CB 4.35Å; K68-E256 HydrophobicContact CB-CG 4.34Å; K68-E256 VanDerWaalsContact CD-OE1 3.28Å; K68-E256 WeakPolarHBondContact CD-OE1 3.41Å; K68-E256 VanDerWaalsContact CE-OE1 3.28Å; K68-E256 WeakPolarHBondContact CE-OE1 3.47Å; K68-E256 HydrophobicContact CG-CG 4.3Å; K68-E256 IonicContact NZ-OE1 3.98Å; K68-E256 CarbonylContact O-C 3.58Å; K68-E256 WeakPolarHBondContact O-CA 3.42Å; K68-E256 PolarHBondContact O-N 2.87Å; C254-E256 VanDerWaalsContact C-N 3.3Å; E256-D258 VanDerWaalsContact C-N 3.26Å; E256-D258 PolarHBondContact O-N 3.29Å; E256-D258 VanDerWaalsContact O-N 3.15Å; E256-R259 HydrophobicContact CB-CB 4.47Å; E256-R259 HydrophobicContact CB-CG 4.46Å; E256-R259 PolarHBondContact O-N 3.27Å; E256-R259 IonicContact OE1-NH1 2.98Å; E256-R259 WeakPolarHBondContact OE2-CD 3.14Å; E256-R259 IonicContact OE2-CZ 3.96Å; E256-R259 IonicContact OE2-NE 2.86Å; E256-R259 PolarHBondContact OE2-NE 3.02Å; E256-R259 IonicContact OE2-NH1 3.76Å; E256-R259 PolarHBondContact OE2-NH1 3.29Å; E256-R259 IonicContact OE2-NH2 3.37Å |
| 257 | P | 87.9 | Confident | 90.9 | Very high | 43 Ų | 43 | 73.3 Ų | 73.3 | 28% | 0.279 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -55 | -35.5 | -174.4 | -26.4 | 35.5 | 0 | 0 | 0 | 114.6 | I251 C254 R259 V260 | I251-P257 HydrophobicContact CG2-CB 4.05Å; I251-P257 WeakPolarHBondContact O-CB 3.36Å; I251-P257 WeakPolarHBondContact O-CG 3.5Å; C254-P257 HydrophobicContact CB-CG 4.33Å; C254-P257 WeakPolarHBondContact O-CD 3.2Å; P257-R259 PolarHBondContact O-N 2.89Å; P257-R259 VanDerWaalsContact O-N 3.1Å; P257-V260 PolarHBondContact O-N 2.86Å |
| 258 | D | 88.8 | Confident | 90.8 | Very high | 172 Ų | 172 | 76.4 Ų | 76.4 | 92% | 0.92 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -67.5 | -8.7 | -179 | -59.2 | -33.9 | 0 | 0 | 0 | 113.8 | E256 | E256-D258 VanDerWaalsContact C-N 3.26Å; E256-D258 PolarHBondContact O-N 3.29Å; E256-D258 VanDerWaalsContact O-N 3.15Å |
| 259 | R | 84.3 | Confident | 90.7 | Very high | 179 Ų | 179 | 74.8 Ų | 74.8 | 68% | 0.675 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -103.4 | -5.1 | 178.1 | -69 | -164.3 | 177.4 | 159 | 5.2 | 114 | E256 P257 S261 | E256-R259 HydrophobicContact CB-CB 4.47Å; E256-R259 HydrophobicContact CB-CG 4.46Å; E256-R259 PolarHBondContact O-N 3.27Å; E256-R259 IonicContact OE1-NH1 2.98Å; E256-R259 WeakPolarHBondContact OE2-CD 3.14Å; E256-R259 IonicContact OE2-CZ 3.96Å; E256-R259 IonicContact OE2-NE 2.86Å; E256-R259 PolarHBondContact OE2-NE 3.02Å; E256-R259 IonicContact OE2-NH1 3.76Å; E256-R259 PolarHBondContact OE2-NH1 3.29Å; E256-R259 IonicContact OE2-NH2 3.37Å; P257-R259 PolarHBondContact O-N 2.89Å; P257-R259 VanDerWaalsContact O-N 3.1Å; R259-S261 PolarHBondContact O-N 3.43Å |
| 260 | V | 88.4 | Confident | 90.7 | Very high | 28 Ų | 28 | 72.4 Ų | 72.4 | 17% | 0.17 | 37% | 0.368 | C | S | . | . | trans | -67.7 | 126.2 | 177.8 | 174.9 | 0 | 0 | 0 | 0 | 108.6 | D69 I251 C254 P257 L262 F267 | D69-V260 HydrophobicContact CB-CG2 4.46Å; I251-V260 HydrophobicContact CD1-CG1 4.3Å; I251-V260 HydrophobicContact CG1-CG1 4.46Å; I251-V260 HydrophobicContact CG2-CB 4.25Å; I251-V260 HydrophobicContact CG2-CG2 4.14Å; C254-V260 HydrophobicContact CB-CG2 4.33Å; P257-V260 PolarHBondContact O-N 2.86Å; V260-L262 HydrophobicContact CG1-CD2 4.46Å; V260-F267 HydrophobicContact CG1-CD1 4.05Å; V260-F267 HydrophobicContact CG1-CD2 4.03Å; V260-F267 HydrophobicContact CG1-CE1 3.75Å; V260-F267 HydrophobicContact CG1-CE2 3.7Å; V260-F267 HydrophobicContact CG1-CG 4.18Å; V260-F267 HydrophobicContact CG1-CZ 3.55Å | ||
| 261 | S | 89.6 | Confident | 90.8 | Very high | 63 Ų | 63 | 72.4 Ų | 72.4 | 44% | 0.441 | 37% | 0.368 | S | S | . | . | trans | -102.4 | 125.9 | 168.4 | -174.6 | 0 | 0 | 0 | 0 | 106.8 | R259 D263 N264 | R259-S261 PolarHBondContact O-N 3.43Å; S261-D263 VanDerWaalsContact C-N 3.35Å; S261-N264 WeakPolarHBondContact O-CB 3.26Å; S261-N264 PolarHBondContact O-N 3.12Å | ||
| 262 | L | 88.1 | Confident | 90.9 | Very high | 72 Ų | 72 | 73.2 Ų | 73.2 | 38% | 0.377 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -40.4 | 178.5 | -62 | 179.9 | 0 | 0 | 0 | 110.3 | L247 I251 V260 N264 F267 E268 | L247-L262 HydrophobicContact CD2-CD2 4.13Å; I251-L262 HydrophobicContact CD1-CD2 3.67Å; V260-L262 HydrophobicContact CG1-CD2 4.46Å; L262-N264 PolarHBondContact O-N 3.17Å; L262-F267 HydrophobicContact CD2-CE1 3.88Å; L262-E268 WeakPolarHBondContact O-CG 3.49Å; L262-E268 VanDerWaalsContact O-OE1 3.12Å |
| 263 | D | 84.8 | Confident | 91.1 | Very high | 145 Ų | 145 | 66.7 Ų | 66.7 | 78% | 0.775 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 16 | 179.6 | -39.5 | -32.1 | 0 | 0 | 0 | 114.1 | S261 | S261-D263 VanDerWaalsContact C-N 3.35Š|
| 264 | N | 91.4 | Very high | 91.6 | Very high | 57 Ų | 57 | 63.5 Ų | 63.5 | 31% | 0.305 | 33% | 0.332 | S | S | . | . | trans | -91.9 | 113.7 | 177.7 | 178.3 | -66.9 | 0 | 0 | 0 | 109.3 | S261 L262 E266 F267 E268 | S261-N264 WeakPolarHBondContact O-CB 3.26Å; S261-N264 PolarHBondContact O-N 3.12Å; L262-N264 PolarHBondContact O-N 3.17Å; N264-E266 VanDerWaalsContact C-N 3.27Å; N264-E266 PolarHBondContact O-N 3.11Å; N264-E266 WeakPolarHBondContact OD1-CA 3.44Å; N264-E266 WeakPolarHBondContact OD1-CB 3.5Å; N264-E266 PolarHBondContact OD1-N 3.29Å; N264-F267 HydrophobicContact CB-CB 4.06Å; N264-F267 WeakPolarHBondContact O-CA 2.97Å; N264-F267 WeakPolarHBondContact O-CB 3.48Å; N264-F267 PolarHBondContact O-N 2.87Å; N264-F267 PolarHBondContact OD1-N 2.88Å; N264-E268 PolarHBondContact O-N 2.95Å | ||
| 265 | A | 89.9 | Confident | 92 | Very high | 72 Ų | 72 | 63.3 Ų | 63.3 | 60% | 0.595 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -54.7 | -37.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F267 E268 E269 | A265-F267 VanDerWaalsContact C-N 3.33Å; A265-F267 PolarHBondContact O-N 3.06Å; A265-E268 PolarHBondContact O-N 2.61Å; A265-E269 WeakPolarHBondContact O-CB 3.24Å; A265-E269 PolarHBondContact O-N 3.04Å |
| 266 | E | 91.4 | Very high | 92.5 | Very high | 126 Ų | 126 | 58.2 Ų | 58.2 | 59% | 0.589 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -70.9 | -28.7 | 177.6 | -52.7 | -178.3 | 161 | 0 | 0 | 112.9 | R70 N264 S270 | R70-E266 PolarHBondContact NE-O 3.36Å; R70-E266 IonicContact NH2-OE2 3.37Å; R70-E266 PolarHBondContact NH2-OE2 2.91Å; N264-E266 VanDerWaalsContact C-N 3.27Å; N264-E266 PolarHBondContact O-N 3.11Å; N264-E266 WeakPolarHBondContact OD1-CA 3.44Å; N264-E266 WeakPolarHBondContact OD1-CB 3.5Å; N264-E266 PolarHBondContact OD1-N 3.29Å; E266-S270 VanDerWaalsContact O-CB 3.31Å; E266-S270 WeakPolarHBondContact O-CB 3.49Å; E266-S270 PolarHBondContact O-N 3.24Å; E266-S270 VanDerWaalsContact O-N 3.15Å; E266-S270 PolarHBondContact O-OG 3.23Å |
| 267 | F | 94.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 1% | 0.013 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.6 | -46.8 | 173.3 | 172.5 | -105.5 | 0 | 0 | 0 | 110.5 | D69 I71 L247 I251 V260 L262 N264 A265 S270 N271 | D69-F267 WeakPolarHBondContact O-CD2 3.24Å; I71-F267 HydrophobicContact CD1-CE2 4.25Å; I71-F267 HydrophobicContact CD1-CZ 4.19Å; I71-F267 HydrophobicContact CG1-CE2 4.3Å; L247-F267 HydrophobicContact CD1-CZ 4.35Å; I251-F267 HydrophobicContact CD1-CZ 4.2Å; I251-F267 HydrophobicContact CG1-CZ 3.98Å; V260-F267 HydrophobicContact CG1-CD1 4.05Å; V260-F267 HydrophobicContact CG1-CD2 4.03Å; V260-F267 HydrophobicContact CG1-CE1 3.75Å; V260-F267 HydrophobicContact CG1-CE2 3.7Å; V260-F267 HydrophobicContact CG1-CG 4.18Å; V260-F267 HydrophobicContact CG1-CZ 3.55Å; L262-F267 HydrophobicContact CD2-CE1 3.88Å; N264-F267 HydrophobicContact CB-CB 4.06Å; N264-F267 WeakPolarHBondContact O-CA 2.97Å; N264-F267 WeakPolarHBondContact O-CB 3.48Å; N264-F267 PolarHBondContact O-N 2.87Å; N264-F267 PolarHBondContact OD1-N 2.88Å; A265-F267 VanDerWaalsContact C-N 3.33Å; A265-F267 PolarHBondContact O-N 3.06Å; F267-S270 PolarHBondContact O-N 3.37Å; F267-S270 PolarHBondContact O-OG 3.18Å; F267-N271 WeakPolarHBondContact CE1-ND2 3.46Å; F267-N271 WeakPolarHBondContact CE2-ND2 3.49Å; F267-N271 WeakPolarHBondContact CZ-ND2 3.26Å; F267-N271 PolarHBondContact O-N 3.49Å; F267-N271 PolarHBondContact O-ND2 3.33Å; F267-N271 VanDerWaalsContact O-ND2 3.13Å |
| 268 | E | 94.3 | Very high | 93.3 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 41% | 0.407 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.4 | -51.3 | 176.4 | -68.7 | -179.3 | 164.1 | 0 | 0 | 110.8 | N242 L262 N264 A265 S270 N271 | N242-E268 PolarHBondContact ND2-O 3.15Å; L262-E268 WeakPolarHBondContact O-CG 3.49Å; L262-E268 VanDerWaalsContact O-OE1 3.12Å; N264-E268 PolarHBondContact O-N 2.95Å; A265-E268 PolarHBondContact O-N 2.61Å; E268-S270 VanDerWaalsContact C-N 3.32Å; E268-S270 PolarHBondContact O-N 3.07Å; E268-N271 WeakPolarHBondContact O-CB 3.34Å; E268-N271 PolarHBondContact O-N 3.5Å |
| 269 | E | 94.3 | Very high | 93.8 | Very high | 80 Ų | 80 | 46.6 Ų | 46.6 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.3 | -43.6 | 177.6 | -178.3 | 58.3 | -150.6 | 0 | 0 | 111.7 | F63 A265 N271 L272 | F63-E269 HydrophobicContact CE1-CG 4.25Å; F63-E269 WeakPolarHBondContact CE1-O 3.35Å; F63-E269 WeakPolarHBondContact CE1-OE1 3.47Å; A265-E269 WeakPolarHBondContact O-CB 3.24Å; A265-E269 PolarHBondContact O-N 3.04Å; E269-N271 PolarHBondContact O-N 2.71Å; E269-L272 WeakPolarHBondContact O-CB 3.43Å; E269-L272 PolarHBondContact O-N 3.25Å; E269-L272 WeakPolarHBondContact OE2-CD1 3.21Å |
| 270 | S | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -18.3 | 179.1 | 75.5 | 0 | 0 | 0 | 0 | 114.1 | I62 R70 E266 F267 E268 M273 | I62-S270 VanDerWaalsContact O-CB 3.31Å; I62-S270 WeakPolarHBondContact O-CB 3.42Å; R70-S270 VanDerWaalsContact CD-CB 3.43Å; R70-S270 WeakPolarHBondContact CD-OG 2.99Å; E266-S270 VanDerWaalsContact O-CB 3.31Å; E266-S270 WeakPolarHBondContact O-CB 3.49Å; E266-S270 PolarHBondContact O-N 3.24Å; E266-S270 VanDerWaalsContact O-N 3.15Å; E266-S270 PolarHBondContact O-OG 3.23Å; F267-S270 PolarHBondContact O-N 3.37Å; F267-S270 PolarHBondContact O-OG 3.18Å; E268-S270 VanDerWaalsContact C-N 3.32Å; E268-S270 PolarHBondContact O-N 3.07Å; S270-M273 VanDerWaalsContact O-CE 3.22Å; S270-M273 WeakPolarHBondContact O-CE 3.4Å |
| 271 | N | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -0.4 | 178.8 | -64.4 | -35.8 | 0 | 0 | 0 | 113 | Y75 E241 N242 F267 E268 E269 M273 | Y75-N271 PolarHBondContact OH-OD1 2.75Å; E241-N271 HydrophobicContact CB-CB 4.24Å; E241-N271 PolarHBondContact N-O 3.49Å; E241-N271 VanDerWaalsContact N-O 3.1Å; N242-N271 WeakPolarHBondContact OD1-CB 3.42Å; N242-N271 PolarHBondContact OD1-ND2 2.85Å; F267-N271 WeakPolarHBondContact CE1-ND2 3.46Å; F267-N271 WeakPolarHBondContact CE2-ND2 3.49Å; F267-N271 WeakPolarHBondContact CZ-ND2 3.26Å; F267-N271 PolarHBondContact O-N 3.49Å; F267-N271 PolarHBondContact O-ND2 3.33Å; F267-N271 VanDerWaalsContact O-ND2 3.13Å; E268-N271 WeakPolarHBondContact O-CB 3.34Å; E268-N271 PolarHBondContact O-N 3.5Å; E269-N271 PolarHBondContact O-N 2.71Å; N271-M273 PolarHBondContact O-N 3.29Å |
| 272 | L | 97.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 34.1 Ų | 34.1 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 96 | 174.5 | -60.5 | -172.4 | 0 | 0 | 0 | 110.6 | F63 V238 D240 E269 H274 | F63-L272 WeakPolarHBondContact CD1-O 3.25Å; V238-L272 HydrophobicContact CG1-CB 3.79Å; V238-L272 HydrophobicContact CG1-CD2 4.46Å; D240-L272 HydrophobicContact CB-CD2 3.65Å; D240-L272 VanDerWaalsContact CG-CD2 3.4Å; D240-L272 WeakPolarHBondContact OD1-CD2 3.41Å; E269-L272 WeakPolarHBondContact O-CB 3.43Å; E269-L272 PolarHBondContact O-N 3.25Å; E269-L272 WeakPolarHBondContact OE2-CD1 3.21Å; L272-H274 PolarHBondContact O-N 3.25Å; L272-H274 PolarHBondContact O-ND1 3.48Å |
| 273 | M | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 96.7 | -173.7 | -62.3 | -76.6 | 153.1 | 0 | 0 | 111.3 | Y41 F63 L64 Y75 V239 S270 N271 A275 | Y41-M273 HydrophobicContact CD1-CB 3.71Å; Y41-M273 HydrophobicContact CD1-CG 4.05Å; Y41-M273 HydrophobicContact CD1-SD 4.3Å; Y41-M273 HydrophobicContact CD2-CB 4.39Å; Y41-M273 HydrophobicContact CD2-CG 3.8Å; Y41-M273 HydrophobicContact CD2-SD 3.71Å; Y41-M273 HydrophobicContact CE1-CB 3.48Å; Y41-M273 VanDerWaalsContact CE1-CB 3.48Å; Y41-M273 HydrophobicContact CE1-CG 3.9Å; Y41-M273 HydrophobicContact CE2-CB 4.17Å; Y41-M273 HydrophobicContact CE2-CG 3.62Å; Y41-M273 HydrophobicContact CE2-SD 4.15Å; Y41-M273 HydrophobicContact CG-CB 4.19Å; Y41-M273 HydrophobicContact CG-CG 4.03Å; Y41-M273 HydrophobicContact CG-SD 3.81Å; F63-M273 WeakPolarHBondContact O-CE 3.31Å; L64-M273 HydrophobicContact CD2-SD 4.28Å; Y75-M273 HydrophobicContact CD2-CE 4.47Å; Y75-M273 HydrophobicContact CE2-CE 3.38Å; Y75-M273 HydrophobicContact CE2-SD 4.35Å; Y75-M273 VanDerWaalsContact OH-CE 3.28Å; Y75-M273 WeakPolarHBondContact OH-CE 3.41Å; V239-M273 HydrophobicContact CB-CB 4.2Å; V239-M273 PolarHBondContact N-O 3.2Å; V239-M273 PolarHBondContact O-N 3.26Å; S270-M273 VanDerWaalsContact O-CE 3.22Å; S270-M273 WeakPolarHBondContact O-CE 3.4Å; N271-M273 PolarHBondContact O-N 3.29Å; M273-A275 WeakPolarHBondContact O-CB 3.42Å; M273-A275 PolarHBondContact O-N 2.88Å |
| 274 | H | 97.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 24.6 Ų | 24.6 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 82.3 | -179.3 | -66.4 | 82.7 | 0 | 0 | 0 | 112.8 | V238 L272 T280 H357 A360 M362 | V238-H274 VanDerWaalsContact CG2-CD2 3.49Å; V238-H274 WeakPolarHBondContact CG2-CD2 3.47Å; L272-H274 PolarHBondContact O-N 3.25Å; L272-H274 PolarHBondContact O-ND1 3.48Å; H274-T280 WeakPolarHBondContact O-CG2 3.43Å; H274-H357 AromaticContact CD2-CD2 3.35Å; H274-H357 PolarHBondContact CD2-CD2 3.24Å; H274-H357 AromaticContact NE2-CD2 3.6Å; H274-A360 HydrophobicContact CB-CB 3.77Å; H274-A360 VanDerWaalsContact ND1-CB 3.29Å; H274-A360 WeakPolarHBondContact ND1-CB 3.34Å; H274-M362 HydrophobicContact CB-CB 4.21Å; H274-M362 HydrophobicContact CB-CE 3.92Å; H274-M362 VanDerWaalsContact O-CA 3.3Å; H274-M362 WeakPolarHBondContact O-CA 3.49Å; H274-M362 WeakPolarHBondContact O-CB 3.48Å |
| 275 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 150 | -158.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y41 S237 V239 M273 Y279 T280 | Y41-A275 HydrophobicContact CD1-CB 4.16Å; Y41-A275 HydrophobicContact CE1-CB 4.28Å; S237-A275 PolarHBondContact N-O 2.78Å; S237-A275 PolarHBondContact O-N 3Å; V239-A275 HydrophobicContact CG2-CB 4.45Å; M273-A275 WeakPolarHBondContact O-CB 3.42Å; M273-A275 PolarHBondContact O-N 2.88Å; A275-Y279 WeakPolarHBondContact CA-O 3.42Å; A275-T280 HydrophobicContact CB-CG2 3.9Å |
| 276 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.1 | 164.6 | -56.7 | 174 | 0 | 0 | 0 | 108.2 | L234 L235 F236 G278 Y279 L284 L350 M362 A364 | L234-I276 HydrophobicContact CB-CG2 4.23Å; L234-I276 HydrophobicContact CD1-CG2 4.45Å; L234-I276 HydrophobicContact CD2-CG2 3.98Å; L234-I276 HydrophobicContact CG-CG2 4.46Å; L235-I276 CarbonylContact O-C 3.58Å; L235-I276 VanDerWaalsContact O-CA 3.31Å; L235-I276 WeakPolarHBondContact O-CA 3.47Å; F236-I276 HydrophobicContact CD1-CD1 4.4Å; F236-I276 HydrophobicContact CD1-CG1 4.11Å; F236-I276 HydrophobicContact CE1-CD1 3.68Å; F236-I276 HydrophobicContact CE1-CG1 3.87Å; F236-I276 HydrophobicContact CZ-CD1 3.86Å; F236-I276 HydrophobicContact CZ-CG1 4.18Å; I276-G278 PolarHBondContact O-N 2.95Å; I276-G278 VanDerWaalsContact O-N 3.1Å; I276-Y279 PolarHBondContact N-O 2.77Å; I276-Y279 PolarHBondContact O-N 3.01Å; I276-L284 HydrophobicContact CG2-CD2 3.95Å; I276-L350 HydrophobicContact CD1-CG 4.46Å; I276-M362 HydrophobicContact CD1-CG 4.45Å; I276-M362 HydrophobicContact CG1-CG 3.92Å; I276-A364 HydrophobicContact CD1-CB 3.84Å |
| 277 | N | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 23.3 | -172.1 | -68.5 | -10.5 | 0 | 0 | 0 | 114.5 | W97 G99 F100 L101 Y233 L234 L235 L284 | W97-N277 PolarHBondContact O-ND2 2.7Å; G99-N277 WeakPolarHBondContact CA-O 3.41Å; F100-N277 PolarHBondContact N-O 3.32Å; L101-N277 HydrophobicContact CD1-CB 4.49Å; L101-N277 WeakPolarHBondContact CD1-OD1 3.41Å; Y233-N277 PolarHBondContact O-ND2 2.82Å; L234-N277 WeakPolarHBondContact CA-OD1 3.12Å; L235-N277 PolarHBondContact N-OD1 2.96Å; L235-N277 PolarHBondContact O-N 3.19Å; N277-L284 HydrophobicContact CB-CD1 4.05Å |
| 278 | G | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87 | 15 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | W39 Y41 I276 | W39-G278 VanDerWaalsContact CE2-O 3.31Å; W39-G278 WeakPolarHBondContact CZ2-O 3.41Å; W39-G278 PolarHBondContact NE1-O 2.89Å; Y41-G278 WeakPolarHBondContact CA-O 3.45Å; Y41-G278 WeakPolarHBondContact CD1-O 3.47Å; I276-G278 PolarHBondContact O-N 2.95Å; I276-G278 VanDerWaalsContact O-N 3.1Å |
| 279 | Y | 98.6 | Very high | 95.8 | Very high | 27 Ų | 27 | 18.1 Ų | 18.1 | 11% | 0.106 | 10% | 0.103 | C | C | . | . | B | Isolated β-bridge | trans | -115.5 | 141.1 | 172 | -65.3 | -74.7 | 0 | 0 | 0 | 112.1 | W39 Y41 P43 A275 I276 N283 L284 P285 | W39-Y279 HydrophobicContact CH2-CD2 4.44Å; W39-Y279 AromaticContact CH2-CE1 3.84Å; W39-Y279 HydrophobicContact CH2-CE1 3.84Å; W39-Y279 AromaticContact CH2-CE2 3.7Å; W39-Y279 HydrophobicContact CH2-CE2 3.7Å; W39-Y279 AromaticContact CH2-CZ 3.34Å; W39-Y279 VanDerWaalsContact CH2-OH 3.28Å; W39-Y279 WeakPolarHBondContact CH2-OH 3.27Å; W39-Y279 HydrophobicContact CZ2-CD1 4.14Å; W39-Y279 HydrophobicContact CZ2-CD2 4.15Å; W39-Y279 AromaticContact CZ2-CE1 3.76Å; W39-Y279 HydrophobicContact CZ2-CE1 3.76Å; W39-Y279 AromaticContact CZ2-CE2 3.85Å; W39-Y279 HydrophobicContact CZ2-CE2 3.85Å; W39-Y279 HydrophobicContact CZ2-CG 4.34Å; W39-Y279 AromaticContact CZ2-CZ 3.64Å; Y41-Y279 WeakPolarHBondContact O-CA 3.3Å; P43-Y279 HydrophobicContact CG-CD1 4.34Å; P43-Y279 HydrophobicContact CG-CE1 3.91Å; A275-Y279 WeakPolarHBondContact CA-O 3.42Å; I276-Y279 PolarHBondContact N-O 2.77Å; I276-Y279 PolarHBondContact O-N 3.01Å; Y279-N283 HydrophobicContact CD1-CB 4.1Å; Y279-L284 HydrophobicContact CD2-CB 4.41Å; Y279-L284 HydrophobicContact CD2-CD1 3.44Å; Y279-L284 VanDerWaalsContact CD2-CD1 3.44Å; Y279-L284 HydrophobicContact CE2-CD1 4.04Å; Y279-L284 HydrophobicContact CG-CD1 4.33Å; Y279-P285 VanDerWaalsContact CE2-CD 3.47Å; Y279-P285 HydrophobicContact CE2-CG 4.22Å |
| 280 | T | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 9% | 0.09 | C | C | . | . | trans | -119.1 | 163.2 | 179.6 | 60.7 | 0 | 0 | 0 | 0 | 111 | Y41 H274 A275 G282 N283 | Y41-T280 HydrophobicContact CD1-CG2 4.36Å; Y41-T280 PolarHBondContact O-N 3.29Å; Y41-T280 VanDerWaalsContact O-N 3.09Å; H274-T280 WeakPolarHBondContact O-CG2 3.43Å; A275-T280 HydrophobicContact CB-CG2 3.9Å; T280-G282 VanDerWaalsContact C-N 3.32Å; T280-G282 PolarHBondContact O-N 2.74Å; T280-N283 VanDerWaalsContact O-CB 3.24Å; T280-N283 WeakPolarHBondContact O-CB 3.41Å; T280-N283 PolarHBondContact O-N 3.05Å; T280-N283 PolarHBondContact O-ND2 3.24Å | ||
| 281 | F | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.018 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 43.7 | 173.9 | -61.1 | -86.6 | 0 | 0 | 0 | 114.7 | N47 L48 H59 A60 F63 L64 N283 A360 G361 | N47-F281 HydrophobicContact CB-CB 4.29Å; N47-F281 HydrophobicContact CB-CD1 4.44Å; L48-F281 PolarHBondContact N-O 3.01Å; H59-F281 HydrophobicContact CB-CE1 4.41Å; A60-F281 HydrophobicContact CB-CD1 4.02Å; A60-F281 HydrophobicContact CB-CD2 4.35Å; A60-F281 HydrophobicContact CB-CE1 3.84Å; A60-F281 HydrophobicContact CB-CE2 4.18Å; A60-F281 HydrophobicContact CB-CG 4.28Å; A60-F281 HydrophobicContact CB-CZ 3.93Å; F63-F281 HydrophobicContact CD2-CE2 4.36Å; F63-F281 HydrophobicContact CD2-CZ 4.12Å; L64-F281 HydrophobicContact CD1-CD2 3.48Å; L64-F281 VanDerWaalsContact CD1-CD2 3.48Å; L64-F281 HydrophobicContact CD1-CE2 3.85Å; L64-F281 HydrophobicContact CD1-CG 4.38Å; L64-F281 HydrophobicContact CG-CD2 4.33Å; L64-F281 HydrophobicContact CG-CE2 4.25Å; F281-N283 VanDerWaalsContact C-N 3.31Å; F281-N283 PolarHBondContact O-N 3.06Å; F281-N283 PolarHBondContact O-ND2 3.01Å; F281-A360 VanDerWaalsContact CE2-O 3.28Å; F281-A360 WeakPolarHBondContact CE2-O 3.42Å; F281-A360 VanDerWaalsContact CZ-C 3.49Å; F281-A360 WeakPolarHBondContact CZ-O 3.32Å; F281-G361 PolarHBondContact N-O 3.4Å |
| 282 | G | 96.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 6.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T280 L284 Q363 | T280-G282 VanDerWaalsContact C-N 3.32Å; T280-G282 PolarHBondContact O-N 2.74Å; G282-L284 VanDerWaalsContact C-N 3.26Å; G282-L284 PolarHBondContact O-N 3.11Å; G282-Q363 VanDerWaalsContact CA-O 3.24Å; G282-Q363 WeakPolarHBondContact CA-O 3.36Å; G282-Q363 PolarHBondContact N-O 3.48Å |
| 283 | N | 97.4 | Very high | 95 | Very high | 10 Ų | 10 | 22.5 Ų | 22.5 | 5% | 0.053 | 12% | 0.12 | C | C | . | . | trans | -73.8 | -7.7 | -176 | -78.6 | -91.8 | 0 | 0 | 0 | 114.9 | S44 K46 Y279 T280 F281 P285 | S44-N283 VanDerWaalsContact CB-OD1 3.22Å; S44-N283 WeakPolarHBondContact CB-OD1 3.48Å; S44-N283 PolarHBondContact N-OD1 3.18Å; S44-N283 PolarHBondContact OG-OD1 3.18Å; K46-N283 PolarHBondContact O-ND2 2.97Å; Y279-N283 HydrophobicContact CD1-CB 4.1Å; T280-N283 VanDerWaalsContact O-CB 3.24Å; T280-N283 WeakPolarHBondContact O-CB 3.41Å; T280-N283 PolarHBondContact O-N 3.05Å; T280-N283 PolarHBondContact O-ND2 3.24Å; F281-N283 VanDerWaalsContact C-N 3.31Å; F281-N283 PolarHBondContact O-N 3.06Å; F281-N283 PolarHBondContact O-ND2 3.01Å; N283-P285 VanDerWaalsContact O-CD 3.27Å; N283-P285 WeakPolarHBondContact O-CD 3.48Å | ||
| 284 | L | 97.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.031 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -59 | 121.2 | 178 | -174.6 | 67.7 | 0 | 0 | 0 | 111.1 | W97 L234 I276 N277 Y279 G282 G286 I287 A364 | W97-L284 HydrophobicContact CB-CD1 4.41Å; W97-L284 WeakPolarHBondContact O-CD1 3.31Å; L234-L284 HydrophobicContact CD2-CD2 4.03Å; I276-L284 HydrophobicContact CG2-CD2 3.95Å; N277-L284 HydrophobicContact CB-CD1 4.05Å; Y279-L284 HydrophobicContact CD2-CB 4.41Å; Y279-L284 HydrophobicContact CD2-CD1 3.44Å; Y279-L284 VanDerWaalsContact CD2-CD1 3.44Å; Y279-L284 HydrophobicContact CE2-CD1 4.04Å; Y279-L284 HydrophobicContact CG-CD1 4.33Å; G282-L284 VanDerWaalsContact C-N 3.26Å; G282-L284 PolarHBondContact O-N 3.11Å; L284-G286 PolarHBondContact O-N 3.44Å; L284-I287 HydrophobicContact CD2-CD1 3.81Å; L284-A364 HydrophobicContact CB-CB 3.69Å; L284-A364 HydrophobicContact CD2-CB 3.54Å; L284-A364 HydrophobicContact CG-CB 4.24Å |
| 285 | P | 93.4 | Very high | 94.6 | Very high | 43 Ų | 43 | 24.8 Ų | 24.8 | 28% | 0.279 | 14% | 0.136 | S | C | . | . | trans | -69.2 | 113.1 | -173.8 | -23.9 | 34.7 | 0 | 0 | 0 | 115 | D96 W97 Y279 N283 I287 | D96-P285 HydrophobicContact CB-CB 4.02Å; D96-P285 HydrophobicContact CB-CG 4.4Å; W97-P285 WeakPolarHBondContact CB-O 3.29Å; Y279-P285 VanDerWaalsContact CE2-CD 3.47Å; Y279-P285 HydrophobicContact CE2-CG 4.22Å; N283-P285 VanDerWaalsContact O-CD 3.27Å; N283-P285 WeakPolarHBondContact O-CD 3.48Å; P285-I287 PolarHBondContact O-N 2.69Å | ||
| 286 | G | 75.9 | Confident | 94.6 | Very high | 56 Ų | 56 | 25 Ų | 25 | 58% | 0.577 | 14% | 0.137 | S | C | * | . | trans | 52.7 | 48.7 | 141.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | L284 K288 | L284-G286 PolarHBondContact O-N 3.44Å; G286-K288 PolarHBondContact O-N 2.9Å | ||
| 287 | I | 94.7 | Very high | 94.5 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 118.7 | 169.5 | -60.9 | 167.9 | 0 | 0 | 0 | 109.3 | W97 I232 L234 L284 P285 L289 W297 Y366 E367 | W97-I287 HydrophobicContact CB-CG1 3.92Å; W97-I287 HydrophobicContact CG-CG1 4.12Å; I232-I287 HydrophobicContact CD1-CG2 4.05Å; I232-I287 HydrophobicContact CG1-CG2 4.28Å; I232-I287 HydrophobicContact CG2-CD1 4.1Å; L234-I287 HydrophobicContact CD2-CD1 4.2Å; L284-I287 HydrophobicContact CD2-CD1 3.81Å; P285-I287 PolarHBondContact O-N 2.69Å; I287-L289 HydrophobicContact CG2-CD2 3.85Å; I287-L289 HydrophobicContact CG2-CG 4.17Å; I287-W297 HydrophobicContact CD1-CZ3 4.35Å; I287-W297 HydrophobicContact CG2-CH2 4.18Å; I287-Y366 CarbonylContact O-C 3.57Å; I287-Y366 WeakPolarHBondContact O-CA 3.39Å; I287-E367 PolarHBondContact O-N 2.85Å |
| 288 | K | 94.4 | Very high | 94.5 | Very high | 109 Ų | 109 | 25 Ų | 25 | 47% | 0.474 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 114.7 | -174.9 | -77.2 | -177.8 | 179.8 | -176.5 | 0 | 111.9 | Q230 G286 E367 M369 | Q230-K288 PolarHBondContact NE2-O 3.01Å; Q230-K288 PolarHBondContact OE1-O 3.43Å; Q230-K288 VanDerWaalsContact OE1-O 3.12Å; G286-K288 PolarHBondContact O-N 2.9Å; K288-E367 HydrophobicContact CG-CB 4.43Å; K288-M369 HydrophobicContact CB-CE 3.78Å; K288-M369 HydrophobicContact CD-CE 4.08Å; K288-M369 HydrophobicContact CD-SD 4.14Å; K288-M369 HydrophobicContact CG-CE 4.2Å; K288-M369 HydrophobicContact CG-SD 4.42Å |
| 289 | L | 94.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 149.5 | -173.9 | -50.7 | -179.4 | 0 | 0 | 0 | 111.4 | I232 I287 V295 W297 P342 Y366 E367 V368 M369 | I232-L289 HydrophobicContact CG1-CD2 4.39Å; I287-L289 HydrophobicContact CG2-CD2 3.85Å; I287-L289 HydrophobicContact CG2-CG 4.17Å; L289-V295 HydrophobicContact CD1-CG2 4.45Å; L289-V295 HydrophobicContact CD2-CG1 4.15Å; L289-V295 HydrophobicContact CD2-CG2 4.04Å; L289-W297 HydrophobicContact CD1-CH2 4.26Å; L289-W297 HydrophobicContact CD1-CZ2 3.65Å; L289-P342 HydrophobicContact CB-CG 4.22Å; L289-P342 HydrophobicContact CD1-CG 4.1Å; L289-Y366 HydrophobicContact CD1-CD2 3.75Å; L289-Y366 HydrophobicContact CD1-CE2 4.34Å; L289-E367 PolarHBondContact N-O 3.12Å; L289-V368 HydrophobicContact CB-CG2 4.44Å; L289-M369 PolarHBondContact O-N 2.85Å |
| 290 | C | 92.7 | Very high | 94.5 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 9% | 0.088 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 126.3 | 173.9 | -73.2 | 0 | 0 | 0 | 0 | 111.1 | H292 R293 C371 | C290-H292 PolarHBondContact O-N 2.64Å; C290-R293 HydrophobicContact CB-CB 3.97Å; C290-R293 HydrophobicContact CB-CG 3.78Å; C290-R293 PolarHBondContact O-N 2.84Å; C290-C371 WeakPolarHBondContact CA-SG 3.45Å; C290-C371 HydrophobicContact CB-CB 3.56Å; C290-C371 WeakPolarHBondContact CB-SG 3.38Å; C290-C371 WeakPolarHBondContact SG-CB 3.06Å; C290-C371 CovalentContact SG-SG 2.03Å; C290-C371 PolarHBondContact SG-SG 3.3Å |
| 291 | Q | 92.1 | Very high | 94.5 | Very high | 31 Ų | 31 | 23.5 Ų | 23.5 | 15% | 0.145 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 135.8 | 173.6 | -168.2 | -171.4 | 26.4 | 0 | 0 | 110.4 | R293 K343 R345 V368 M369 | Q291-R293 PolarHBondContact O-N 2.83Å; Q291-K343 PolarHBondContact NE2-O 2.88Å; Q291-R345 VanDerWaalsContact OE1-CZ 3.3Å; Q291-V368 HydrophobicContact CB-CG1 3.98Å; Q291-V368 HydrophobicContact CG-CG1 4.39Å; Q291-M369 VanDerWaalsContact CB-O 3.32Å; Q291-M369 WeakPolarHBondContact CB-O 3.32Å; Q291-M369 PolarHBondContact N-O 2.86Å |
| 292 | H | 91.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 23.3 Ų | 23.3 | 38% | 0.38 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 7.2 | 179 | -50.6 | -40.7 | 0 | 0 | 0 | 116.4 | C290 P342 | C290-H292 PolarHBondContact O-N 2.64Å; H292-P342 PolarHBondContact N-O 2.8Å |
| 293 | R | 91.8 | Very high | 94.4 | Very high | 76 Ų | 76 | 23.3 Ų | 23.3 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -100.6 | 141.4 | 173.7 | -60.1 | -160.8 | -177.2 | -179.8 | 2 | 111.1 | D229 C290 Q291 P342 D372 | D229-R293 HydrophobicContact CB-CB 3.86Å; D229-R293 VanDerWaalsContact OD1-CD 3.24Å; D229-R293 WeakPolarHBondContact OD1-CD 3.31Å; D229-R293 IonicContact OD1-CZ 2.63Å; D229-R293 IonicContact OD1-NH1 3.1Å; D229-R293 PolarHBondContact OD1-NH1 3.1Å; C290-R293 HydrophobicContact CB-CB 3.97Å; C290-R293 HydrophobicContact CB-CG 3.78Å; C290-R293 PolarHBondContact O-N 2.84Å; Q291-R293 PolarHBondContact O-N 2.83Å; R293-P342 WeakPolarHBondContact O-CD 3.42Å; R293-D372 IonicContact CZ-OD1 3.33Å; R293-D372 IonicContact CZ-OD2 2.82Å; R293-D372 IonicContact NE-OD2 3.56Å; R293-D372 PolarHBondContact NE-OD2 3.19Å; R293-D372 VanDerWaalsContact NH2-CG 3.25Å; R293-D372 IonicContact NH2-OD1 2.92Å; R293-D372 PolarHBondContact NH2-OD1 3.38Å; R293-D372 IonicContact NH2-OD2 3.94Å; R293-D372 PolarHBondContact NH2-OD2 2.8Å |
| 294 | P | 93.9 | Very high | 94.3 | Very high | 56 Ų | 56 | 24.6 Ų | 24.6 | 36% | 0.364 | 14% | 0.137 | S | C | . | . | trans | -70.7 | 136.2 | -178.3 | 27.8 | -33.8 | 0 | 0 | 0 | 111.9 | V228 D229 M340 V341 | V228-P294 HydrophobicContact CG1-CB 4.43Å; D229-P294 WeakPolarHBondContact CB-O 3Å; D229-P294 PolarHBondContact N-O 3.21Å; P294-M340 WeakPolarHBondContact CA-O 3.37Å; P294-V341 HydrophobicContact CB-CG2 4.44Å | ||
| 295 | V | 95.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 135.3 | 177.7 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | Q230 I232 L289 M340 P342 | Q230-V295 HydrophobicContact CB-CG1 4.47Å; Q230-V295 WeakPolarHBondContact O-CA 2.98Å; I232-V295 HydrophobicContact CG1-CG1 4.13Å; L289-V295 HydrophobicContact CD1-CG2 4.45Å; L289-V295 HydrophobicContact CD2-CG1 4.15Å; L289-V295 HydrophobicContact CD2-CG2 4.04Å; V295-M340 HydrophobicContact CB-CB 4.43Å; V295-M340 PolarHBondContact N-O 3.3Å; V295-M340 PolarHBondContact O-N 2.9Å; V295-P342 HydrophobicContact CG2-CG 4.33Å |
| 296 | A | 96.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 3% | 0.025 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V228 Q230 D231 I232 | V228-A296 HydrophobicContact CG1-CB 4.09Å; V228-A296 HydrophobicContact CG2-CB 4.29Å; Q230-A296 PolarHBondContact O-N 2.79Å; D231-A296 WeakPolarHBondContact CA-O 3.34Å; I232-A296 PolarHBondContact N-O 3.27Å |
| 297 | W | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 116.8 | 173.7 | -64 | 92 | 0 | 0 | 0 | 108.7 | I232 L234 I287 L289 L299 F313 T337 A338 M340 Y366 | I232-W297 HydrophobicContact CB-CD2 4.3Å; I232-W297 HydrophobicContact CB-CE3 3.69Å; I232-W297 HydrophobicContact CB-CZ3 3.86Å; I232-W297 HydrophobicContact CG1-CE3 4.36Å; I232-W297 HydrophobicContact CG1-CZ3 4.25Å; I232-W297 HydrophobicContact CG2-CE3 3.69Å; I232-W297 HydrophobicContact CG2-CH2 4.4Å; I232-W297 HydrophobicContact CG2-CZ3 3.48Å; I232-W297 VanDerWaalsContact CG2-CZ3 3.48Å; L234-W297 HydrophobicContact CD1-CE3 3.94Å; L234-W297 HydrophobicContact CD1-CZ3 3.79Å; L234-W297 HydrophobicContact CG-CE3 4.49Å; L234-W297 HydrophobicContact CG-CZ3 4.49Å; I287-W297 HydrophobicContact CD1-CZ3 4.35Å; I287-W297 HydrophobicContact CG2-CH2 4.18Å; L289-W297 HydrophobicContact CD1-CH2 4.26Å; L289-W297 HydrophobicContact CD1-CZ2 3.65Å; W297-L299 HydrophobicContact CB-CD2 4.19Å; W297-L299 HydrophobicContact CB-CG 4.25Å; W297-F313 AromaticContact CD2-CE1 3.66Å; W297-F313 HydrophobicContact CD2-CE1 3.66Å; W297-F313 HydrophobicContact CD2-CZ 4.08Å; W297-F313 AromaticContact CE2-CE1 3.67Å; W297-F313 AromaticContact CE3-CE1 3.73Å; W297-F313 HydrophobicContact CE3-CE1 3.73Å; W297-F313 HydrophobicContact CE3-CZ 4.07Å; W297-F313 HydrophobicContact CG-CE1 4.31Å; W297-F313 HydrophobicContact CG-CZ 4.41Å; W297-F313 HydrophobicContact CH2-CD1 4.48Å; W297-F313 AromaticContact CH2-CE1 3.81Å; W297-F313 HydrophobicContact CH2-CE1 3.81Å; W297-F313 HydrophobicContact CZ2-CD1 4.19Å; W297-F313 AromaticContact CZ2-CE1 3.73Å; W297-F313 HydrophobicContact CZ2-CE1 3.73Å; W297-F313 AromaticContact CZ3-CE1 3.81Å; W297-F313 HydrophobicContact CZ3-CE1 3.81Å; W297-F313 HydrophobicContact CZ3-CZ 4.48Å; W297-T337 WeakPolarHBondContact O-CA 3.1Å; W297-A338 HydrophobicContact CB-CB 4.42Å; W297-A338 PolarHBondContact N-O 2.8Å; W297-A338 PolarHBondContact O-N 2.96Å; W297-M340 HydrophobicContact CZ2-CE 4.34Å; W297-M340 HydrophobicContact CZ2-SD 4.29Å; W297-Y366 HydrophobicContact CH2-CG 4.48Å |
| 298 | H | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 101.1 | 174.5 | -67.9 | -76.5 | 0 | 0 | 0 | 107.7 | T184 R225 D231 I232 Y233 L234 | T184-H298 HydrophobicContact CG2-CB 4Å; T184-H298 WeakPolarHBondContact OG1-CA 3.34Å; T184-H298 WeakPolarHBondContact OG1-CB 3.24Å; T184-H298 PolarHBondContact OG1-ND1 3.16Å; R225-H298 PolarHBondContact NH1-NE2 3.43Å; D231-H298 IonicContact OD1-NE2 2.75Å; D231-H298 PolarHBondContact OD1-NE2 3.38Å; I232-H298 PolarHBondContact O-N 3.18Å; Y233-H298 CarbonylContact C-O 3.59Å; Y233-H298 VanDerWaalsContact CA-O 3.3Å; Y233-H298 WeakPolarHBondContact CA-O 3.15Å; Y233-H298 HydrophobicContact CD1-CB 3.42Å; Y233-H298 VanDerWaalsContact CD1-CB 3.42Å; Y233-H298 AromaticContact CD1-CG 3.85Å; Y233-H298 HydrophobicContact CE1-CB 3.77Å; Y233-H298 AromaticContact CE1-CD2 3.55Å; Y233-H298 AromaticContact CE1-CG 3.63Å; Y233-H298 HydrophobicContact CG-CB 4.03Å; Y233-H298 AromaticContact CZ-CD2 3.68Å; L234-H298 PolarHBondContact N-O 2.82Å |
| 299 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.5 | -173.6 | -50.8 | 177.3 | 0 | 0 | 0 | 109.7 | L234 F236 W297 F313 I328 L330 A336 | L234-L299 HydrophobicContact CB-CD2 3.81Å; L234-L299 HydrophobicContact CD1-CD2 3.88Å; L234-L299 HydrophobicContact CG-CD2 4.12Å; L234-L299 WeakPolarHBondContact O-CA 3.24Å; F236-L299 HydrophobicContact CE2-CD2 4.42Å; W297-L299 HydrophobicContact CB-CD2 4.19Å; W297-L299 HydrophobicContact CB-CG 4.25Å; L299-F313 HydrophobicContact CD1-CE2 4.09Å; L299-F313 HydrophobicContact CD1-CZ 4.13Å; L299-F313 HydrophobicContact CD2-CZ 4.31Å; L299-I328 HydrophobicContact CD1-CB 4.29Å; L299-I328 HydrophobicContact CD1-CD1 3.73Å; L299-I328 HydrophobicContact CD1-CG2 4.35Å; L299-L330 HydrophobicContact CB-CD1 3.92Å; L299-L330 HydrophobicContact CB-CD2 3.98Å; L299-A336 HydrophobicContact CB-CB 4.35Å; L299-A336 PolarHBondContact N-O 2.9Å; L299-A336 PolarHBondContact O-N 2.88Å |
| 300 | F | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 144.5 | 172.9 | 53.2 | -81.8 | 0 | 0 | 0 | 111.5 | L101 T184 I186 I202 P204 L234 L235 F236 T334 F335 | L101-F300 HydrophobicContact CD1-CZ 3.84Å; L101-F300 HydrophobicContact CD2-CE2 4.43Å; L101-F300 HydrophobicContact CD2-CZ 4.24Å; T184-F300 HydrophobicContact CG2-CD1 4.16Å; I186-F300 HydrophobicContact CG2-CB 4.3Å; I186-F300 HydrophobicContact CG2-CD1 4.26Å; I186-F300 HydrophobicContact CG2-CD2 3.58Å; I186-F300 HydrophobicContact CG2-CE2 3.84Å; I186-F300 HydrophobicContact CG2-CG 3.8Å; I186-F300 HydrophobicContact CG2-CZ 4.31Å; I202-F300 HydrophobicContact CD1-CD2 4.37Å; I202-F300 HydrophobicContact CD1-CE2 3.98Å; I202-F300 HydrophobicContact CG1-CE2 4.34Å; P204-F300 HydrophobicContact CB-CE1 4.14Å; P204-F300 HydrophobicContact CB-CZ 4.38Å; L234-F300 WeakPolarHBondContact O-CD1 3.19Å; L234-F300 PolarHBondContact O-N 2.92Å; L235-F300 WeakPolarHBondContact CA-O 3.41Å; L235-F300 HydrophobicContact CB-CD2 4.11Å; L235-F300 HydrophobicContact CB-CE2 3.51Å; L235-F300 HydrophobicContact CB-CZ 3.78Å; L235-F300 HydrophobicContact CD1-CD2 3.48Å; L235-F300 VanDerWaalsContact CD1-CD2 3.48Å; L235-F300 HydrophobicContact CD1-CE2 3.51Å; L235-F300 HydrophobicContact CD2-CE2 4.39Å; L235-F300 HydrophobicContact CG-CD2 4.36Å; L235-F300 HydrophobicContact CG-CE2 3.96Å; F236-F300 PolarHBondContact N-O 2.87Å; F300-T334 WeakPolarHBondContact CA-O 3.49Å; F300-T334 WeakPolarHBondContact CB-O 3.3Å; F300-F335 HydrophobicContact CB-CD1 3.81Å; F300-F335 HydrophobicContact CB-CE1 4.36Å |
| 301 | G | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 153.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F236 F331 A333 T334 | F236-G301 WeakPolarHBondContact O-CA 3.34Å; G301-F331 CarbonylContact C-O 3.54Å; G301-F331 VanDerWaalsContact C-O 3.23Å; G301-F331 VanDerWaalsContact CA-O 3.24Å; G301-F331 WeakPolarHBondContact CA-O 3.43Å; G301-A333 WeakPolarHBondContact O-CA 3.47Å; G301-A333 PolarHBondContact O-N 3.17Å; G301-T334 PolarHBondContact N-O 2.83Å |
| 302 | M | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -157.2 | 140.2 | 174.5 | -168.6 | 54.1 | 62.7 | 0 | 0 | 111.1 | I186 I197 I202 L235 F236 S237 D307 A333 F1047 | I186-M302 HydrophobicContact CD1-CE 3.3Å; I197-M302 HydrophobicContact CD1-CE 4.37Å; I197-M302 HydrophobicContact CD1-CG 4.24Å; I197-M302 HydrophobicContact CD1-SD 3.76Å; I197-M302 HydrophobicContact CG2-CG 3.56Å; I197-M302 HydrophobicContact CG2-SD 4.44Å; I202-M302 HydrophobicContact CD1-CB 4.23Å; I202-M302 HydrophobicContact CD1-CE 3.94Å; I202-M302 HydrophobicContact CD1-CG 3.99Å; L235-M302 HydrophobicContact CD1-CB 3.55Å; F236-M302 PolarHBondContact O-N 3Å; F236-M302 VanDerWaalsContact O-N 3.11Å; S237-M302 WeakPolarHBondContact CA-O 3.47Å; S237-M302 WeakPolarHBondContact CB-O 3.46Å; S237-M302 PolarHBondContact OG-O 2.74Å; M302-D307 VanDerWaalsContact O-OD1 3.06Å; M302-A333 HydrophobicContact CE-CB 3.85Å; M302-F1047 HydrophobicContact CG-CE1 4.38Å; M302-F1047 HydrophobicContact CG-CZ 4.12Å; M302-F1047 HydrophobicContact SD-CE1 3.9Å; M302-F1047 HydrophobicContact SD-CZ 4.24Å | ||
| 303 | G | 95 | Very high | 96.2 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | S | Bend | trans | 143.1 | -136.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D307 P332 F1047 | G303-D307 WeakPolarHBondContact CA-OD2 3.45Å; G303-P332 WeakPolarHBondContact O-CG 2.9Å; G303-F1047 VanDerWaalsContact O-CD1 3.23Å; G303-F1047 WeakPolarHBondContact O-CD1 3.19Å; G303-F1047 VanDerWaalsContact O-CG 3.28Å; G303-F1047 WeakPolarHBondContact O-CG 3.33Å; G303-F1047 PolarHBondContact O-N 2.83Å |
| 304 | N | 94.7 | Very high | 96.4 | Very high | 38 Ų | 38 | 9.5 Ų | 9.5 | 20% | 0.203 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -113.6 | -161.9 | -170.6 | -151.3 | 0 | 0 | 0 | 0 | 113.1 | V306 D307 P332 F1047 D1048 | N304-V306 PolarHBondContact O-N 2.86Å; N304-D307 PolarHBondContact N-OD2 2.77Å; N304-D307 VanDerWaalsContact O-CB 3.31Å; N304-D307 WeakPolarHBondContact O-CB 3.44Å; N304-D307 PolarHBondContact O-N 2.87Å; N304-P332 WeakPolarHBondContact O-CG 3.2Å; N304-F1047 HydrophobicContact CB-CB 4.16Å; N304-D1048 VanDerWaalsContact OD1-CB 3.24Å; N304-D1048 WeakPolarHBondContact OD1-CB 3.4Å; N304-D1048 PolarHBondContact OD1-N 3.4Å |
| 305 | E | 94.2 | Very high | 96.3 | Very high | 45 Ų | 45 | 7 Ų | 7 | 21% | 0.21 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -29.2 | -179.1 | -65.3 | 172.7 | -177.6 | 0 | 0 | 113.2 | D307 I995 M997 V1046 H1049 | E305-D307 PolarHBondContact O-N 3.21Å; E305-I995 VanDerWaalsContact OE2-CG2 3.3Å; E305-I995 WeakPolarHBondContact OE2-CG2 3.15Å; E305-M997 HydrophobicContact CB-CE 4.43Å; E305-M997 WeakPolarHBondContact O-CE 3.43Å; E305-V1046 HydrophobicContact CG-CG1 3.85Å; E305-H1049 IonicContact OE1-CD2 2.83Å; E305-H1049 PolarHBondContact OE1-CD2 3.24Å; E305-H1049 IonicContact OE1-NE2 3.14Å; E305-H1049 PolarHBondContact OE1-NE2 3.08Å; E305-H1049 VanDerWaalsContact OE1-NE2 3.11Å |
| 306 | V | 93.4 | Very high | 96.2 | Very high | 50 Ų | 50 | 7.1 Ų | 7.1 | 30% | 0.303 | 4% | 0.039 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16.8 | 173.7 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | V238 N304 I308 H357 | V238-V306 HydrophobicContact CB-CG2 4.08Å; V238-V306 HydrophobicContact CG1-CG2 4.23Å; V238-V306 HydrophobicContact CG2-CG2 4.08Å; N304-V306 PolarHBondContact O-N 2.86Å; V306-I308 PolarHBondContact O-N 3.01Å; V306-H357 PolarHBondContact O-CE1 3.22Å; V306-H357 PolarHBondContact O-NE2 3.41Å |
| 307 | D | 96.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 7 Ų | 7 | 1% | 0.005 | 4% | 0.038 | C | C | . | . | trans | -78.6 | 56.6 | -172.3 | -77.8 | -87.6 | 0 | 0 | 0 | 114.6 | S237 V238 M302 G303 N304 E305 H309 F331 P332 | S237-D307 WeakPolarHBondContact CA-OD1 3.23Å; V238-D307 PolarHBondContact N-OD1 3.05Å; M302-D307 VanDerWaalsContact O-OD1 3.06Å; G303-D307 WeakPolarHBondContact CA-OD2 3.45Å; N304-D307 PolarHBondContact N-OD2 2.77Å; N304-D307 VanDerWaalsContact O-CB 3.31Å; N304-D307 WeakPolarHBondContact O-CB 3.44Å; N304-D307 PolarHBondContact O-N 2.87Å; E305-D307 PolarHBondContact O-N 3.21Å; D307-H309 WeakPolarHBondContact CA-NE2 3.5Å; D307-H309 WeakPolarHBondContact CB-NE2 3.37Å; D307-H309 IonicContact OD1-CD2 3.86Å; D307-H309 IonicContact OD1-CE1 3.6Å; D307-H309 PolarHBondContact OD1-CE1 3.18Å; D307-H309 IonicContact OD1-NE2 3.15Å; D307-H309 PolarHBondContact OD1-NE2 2.98Å; D307-F331 WeakPolarHBondContact O-CA 3.34Å; D307-P332 HydrophobicContact CB-CG 3.96Å | ||
| 308 | I | 95.9 | Very high | 96 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.038 | C | C | . | . | trans | -94.4 | 113.9 | 164.4 | -63 | 160.1 | 0 | 0 | 0 | 108 | V306 F331 V354 H357 E651 I654 F677 M997 | V306-I308 PolarHBondContact O-N 3.01Å; I308-F331 HydrophobicContact CB-CD1 4.46Å; I308-F331 HydrophobicContact CB-CE1 4.29Å; I308-F331 HydrophobicContact CG1-CD1 3.95Å; I308-F331 HydrophobicContact CG1-CE1 3.94Å; I308-F331 HydrophobicContact CG2-CD1 4.45Å; I308-F331 HydrophobicContact CG2-CE1 3.82Å; I308-V354 HydrophobicContact CG2-CG2 4.31Å; I308-V354 WeakPolarHBondContact O-CG2 3.32Å; I308-H357 PolarHBondContact O-CE1 2.91Å; I308-H357 PolarHBondContact O-ND1 2.91Å; I308-H357 VanDerWaalsContact O-ND1 3.08Å; I308-E651 HydrophobicContact CD1-CB 4.13Å; I308-E651 WeakPolarHBondContact CD1-O 3.22Å; I308-I654 HydrophobicContact CD1-CD1 3.47Å; I308-I654 VanDerWaalsContact CD1-CD1 3.47Å; I308-I654 HydrophobicContact CD1-CG1 3.4Å; I308-I654 VanDerWaalsContact CD1-CG1 3.4Å; I308-I654 HydrophobicContact CG1-CD1 4.47Å; I308-F677 HydrophobicContact CG2-CB 4.35Å; I308-F677 HydrophobicContact CG2-CD1 4.33Å; I308-M997 HydrophobicContact CD1-CE 3.57Å; I308-M997 HydrophobicContact CD1-SD 4.12Å; I308-M997 HydrophobicContact CG1-CE 3.8Å; I308-M997 HydrophobicContact CG1-SD 3.68Å | ||
| 309 | H | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 126.6 | -176.7 | -59.2 | -66 | 0 | 0 | 0 | 111.1 | F236 D307 S329 L330 H357 M362 | F236-H309 HydrophobicContact CB-CB 3.93Å; F236-H309 HydrophobicContact CD1-CB 4.25Å; F236-H309 HydrophobicContact CG-CB 4.36Å; D307-H309 WeakPolarHBondContact CA-NE2 3.5Å; D307-H309 WeakPolarHBondContact CB-NE2 3.37Å; D307-H309 IonicContact OD1-CD2 3.86Å; D307-H309 IonicContact OD1-CE1 3.6Å; D307-H309 PolarHBondContact OD1-CE1 3.18Å; D307-H309 IonicContact OD1-NE2 3.15Å; D307-H309 PolarHBondContact OD1-NE2 2.98Å; H309-S329 CarbonylContact O-C 3.56Å; H309-S329 WeakPolarHBondContact O-CA 3.31Å; H309-L330 HydrophobicContact CB-CB 4.16Å; H309-L330 WeakPolarHBondContact CB-O 3.39Å; H309-L330 PolarHBondContact N-O 3.31Å; H309-L330 PolarHBondContact O-N 2.94Å; H309-H357 AromaticContact CE1-CE1 3.51Å; H309-H357 AromaticContact CE1-ND1 3.67Å; H309-H357 AromaticContact ND1-CE1 3.69Å; H309-H357 AromaticContact ND1-ND1 3.44Å; H309-H357 PolarHBondContact ND1-ND1 3.32Å; H309-M362 WeakPolarHBondContact CE1-CE 3.28Å; H309-M362 PolarHBondContact ND1-SD 3.21Å |
| 310 | S | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 85.2 | 172.2 | -78.9 | 0 | 0 | 0 | 0 | 110 | F312 C352 Q353 P678 | S310-F312 PolarHBondContact O-N 2.99Å; S310-F312 VanDerWaalsContact O-N 3.16Å; S310-C352 PolarHBondContact N-SG 3.33Å; S310-C352 VanDerWaalsContact N-SG 3.45Å; S310-C352 CarbonylContact O-C 3.52Å; S310-C352 WeakPolarHBondContact O-CA 3.42Å; S310-Q353 PolarHBondContact O-N 3.03Å; S310-P678 WeakPolarHBondContact CB-O 3.01Å; S310-P678 PolarHBondContact OG-O 3.31Å |
| 311 | A | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 104.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | F236 F313 T327 I328 L330 | F236-A311 HydrophobicContact CD1-CB 4.43Å; F236-A311 HydrophobicContact CE1-CB 3.78Å; F236-A311 HydrophobicContact CE2-CB 3.93Å; F236-A311 HydrophobicContact CZ-CB 3.5Å; A311-F313 HydrophobicContact CB-CE2 4.43Å; A311-T327 VanDerWaalsContact O-CA 3.31Å; A311-T327 WeakPolarHBondContact O-CA 3.18Å; A311-I328 PolarHBondContact N-O 2.61Å; A311-I328 PolarHBondContact O-N 3.11Å; A311-L330 HydrophobicContact CB-CD1 4.38Å |
| 312 | F | 97.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.009 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127 | -177.4 | 173.6 | -132.7 | 0 | 0 | 0 | 112.5 | S310 H314 D326 L350 S351 Q353 H486 H488 | S310-F312 PolarHBondContact O-N 2.99Å; S310-F312 VanDerWaalsContact O-N 3.16Å; F312-H314 AromaticContact CD1-CD2 3.41Å; F312-H314 VanDerWaalsContact CD1-CD2 3.41Å; F312-H314 WeakPolarHBondContact CD1-CD2 3.28Å; F312-H314 AromaticContact CD1-CE1 3.86Å; F312-H314 AromaticContact CD1-NE2 3.24Å; F312-H314 WeakPolarHBondContact CD1-NE2 3.49Å; F312-H314 AromaticContact CE1-CD2 3.49Å; F312-H314 VanDerWaalsContact CE1-CD2 3.49Å; F312-H314 WeakPolarHBondContact CE1-CD2 3.31Å; F312-H314 AromaticContact CE1-CE1 3.51Å; F312-H314 AromaticContact CE1-CG 3.72Å; F312-H314 AromaticContact CE1-ND1 3.77Å; F312-H314 AromaticContact CE1-NE2 3.36Å; F312-H314 WeakPolarHBondContact CE1-NE2 3.46Å; F312-D326 HydrophobicContact CD2-CB 4.24Å; F312-D326 HydrophobicContact CE2-CB 4.11Å; F312-D326 VanDerWaalsContact CE2-OD2 3.26Å; F312-D326 WeakPolarHBondContact CE2-OD2 3.27Å; F312-L350 WeakPolarHBondContact O-CA 3.48Å; F312-L350 WeakPolarHBondContact O-CD1 3.33Å; F312-S351 PolarHBondContact N-O 3.4Å; F312-S351 PolarHBondContact O-N 2.97Å; F312-Q353 HydrophobicContact CB-CG 3.34Å; F312-Q353 HydrophobicContact CD1-CG 4.02Å; F312-Q353 HydrophobicContact CG-CG 4Å; F312-H486 AromaticContact CE1-NE2 3.82Å; F312-H486 AromaticContact CZ-NE2 3.9Å; F312-H488 AromaticContact CD2-CE1 3.55Å; F312-H488 AromaticContact CD2-ND1 3.67Å; F312-H488 AromaticContact CE2-CE1 3.62Å; F312-H488 AromaticContact CE2-ND1 3.46Å; F312-H488 WeakPolarHBondContact CE2-ND1 3.33Å; F312-H488 AromaticContact CG-CE1 3.84Å; F312-H488 AromaticContact CZ-CE1 3.92Å; F312-H488 AromaticContact CZ-ND1 3.98Å |
| 313 | F | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 98.4 | -179.5 | -69.3 | -101.9 | 0 | 0 | 0 | 111.1 | W297 L299 A311 G315 N316 L318 D326 M340 L350 Y366 | W297-F313 AromaticContact CD2-CE1 3.66Å; W297-F313 HydrophobicContact CD2-CE1 3.66Å; W297-F313 HydrophobicContact CD2-CZ 4.08Å; W297-F313 AromaticContact CE2-CE1 3.67Å; W297-F313 AromaticContact CE3-CE1 3.73Å; W297-F313 HydrophobicContact CE3-CE1 3.73Å; W297-F313 HydrophobicContact CE3-CZ 4.07Å; W297-F313 HydrophobicContact CG-CE1 4.31Å; W297-F313 HydrophobicContact CG-CZ 4.41Å; W297-F313 HydrophobicContact CH2-CD1 4.48Å; W297-F313 AromaticContact CH2-CE1 3.81Å; W297-F313 HydrophobicContact CH2-CE1 3.81Å; W297-F313 HydrophobicContact CZ2-CD1 4.19Å; W297-F313 AromaticContact CZ2-CE1 3.73Å; W297-F313 HydrophobicContact CZ2-CE1 3.73Å; W297-F313 AromaticContact CZ3-CE1 3.81Å; W297-F313 HydrophobicContact CZ3-CE1 3.81Å; W297-F313 HydrophobicContact CZ3-CZ 4.48Å; L299-F313 HydrophobicContact CD1-CE2 4.09Å; L299-F313 HydrophobicContact CD1-CZ 4.13Å; L299-F313 HydrophobicContact CD2-CZ 4.31Å; A311-F313 HydrophobicContact CB-CE2 4.43Å; F313-G315 PolarHBondContact O-N 2.84Å; F313-N316 PolarHBondContact O-N 2.96Å; F313-L318 HydrophobicContact CD2-CD1 3.38Å; F313-L318 HydrophobicContact CD2-CG 4.32Å; F313-L318 HydrophobicContact CE2-CD1 3.47Å; F313-L318 VanDerWaalsContact CE2-CD1 3.47Å; F313-L318 HydrophobicContact CG-CD1 3.95Å; F313-L318 HydrophobicContact CG-CG 4.47Å; F313-L318 HydrophobicContact CZ-CD1 4.09Å; F313-D326 PolarHBondContact N-O 3.02Å; F313-D326 VanDerWaalsContact N-O 3.11Å; F313-M340 HydrophobicContact CB-CE 3.86Å; F313-M340 HydrophobicContact CD1-CE 3.43Å; F313-M340 VanDerWaalsContact CD1-CE 3.43Å; F313-M340 HydrophobicContact CE1-CE 4.21Å; F313-M340 HydrophobicContact CG-CE 3.83Å; F313-L350 HydrophobicContact CD1-CD1 3.87Å; F313-L350 HydrophobicContact CD2-CD1 3.86Å; F313-L350 HydrophobicContact CE1-CD1 3.72Å; F313-L350 HydrophobicContact CE1-CD2 4.2Å; F313-L350 HydrophobicContact CE2-CD1 3.69Å; F313-L350 HydrophobicContact CG-CD1 3.96Å; F313-L350 HydrophobicContact CZ-CD1 3.63Å; F313-L350 HydrophobicContact CZ-CD2 4.35Å; F313-Y366 HydrophobicContact CD1-CE1 4.34Å |
| 314 | H | 95.6 | Very high | 95.1 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 132.6 | -175.2 | -71.2 | -120.4 | 0 | 0 | 0 | 112 | F312 N316 W348 L349 S351 Y366 H486 | F312-H314 AromaticContact CD1-CD2 3.41Å; F312-H314 VanDerWaalsContact CD1-CD2 3.41Å; F312-H314 WeakPolarHBondContact CD1-CD2 3.28Å; F312-H314 AromaticContact CD1-CE1 3.86Å; F312-H314 AromaticContact CD1-NE2 3.24Å; F312-H314 WeakPolarHBondContact CD1-NE2 3.49Å; F312-H314 AromaticContact CE1-CD2 3.49Å; F312-H314 VanDerWaalsContact CE1-CD2 3.49Å; F312-H314 WeakPolarHBondContact CE1-CD2 3.31Å; F312-H314 AromaticContact CE1-CE1 3.51Å; F312-H314 AromaticContact CE1-CG 3.72Å; F312-H314 AromaticContact CE1-ND1 3.77Å; F312-H314 AromaticContact CE1-NE2 3.36Å; F312-H314 WeakPolarHBondContact CE1-NE2 3.46Å; H314-N316 PolarHBondContact O-N 2.98Å; H314-W348 HydrophobicContact CB-CE3 4.18Å; H314-W348 VanDerWaalsContact O-CE3 3.24Å; H314-L349 HydrophobicContact CB-CB 4.29Å; H314-L349 VanDerWaalsContact CB-O 3.26Å; H314-L349 WeakPolarHBondContact CB-O 3.22Å; H314-L349 PolarHBondContact CD2-O 2.97Å; H314-L349 PolarHBondContact N-O 2.79Å; H314-S351 PolarHBondContact NE2-OG 3.3Å; H314-Y366 PolarHBondContact O-OH 3.47Å; H314-H486 AromaticContact ND1-CE1 3.69Å; H314-H486 AromaticContact ND1-NE2 3.68Å |
| 315 | G | 90.9 | Very high | 95.1 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 2.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | F313 H491 Y492 | F313-G315 PolarHBondContact O-N 2.84Å; G315-H491 PolarHBondContact O-CD2 2.86Å; G315-Y492 PolarHBondContact N-OH 3.47Å |
| 316 | N | 93 | Very high | 95.1 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | trans | -136.3 | 164.5 | 175.6 | -67.4 | -82.9 | 0 | 0 | 0 | 110.4 | F313 H314 M340 P342 K343 Y366 | F313-N316 PolarHBondContact O-N 2.96Å; H314-N316 PolarHBondContact O-N 2.98Å; N316-M340 HydrophobicContact CB-CE 3.86Å; N316-M340 HydrophobicContact CB-SD 4.03Å; N316-P342 WeakPolarHBondContact OD1-CA 3.28Å; N316-K343 PolarHBondContact OD1-N 3.09Å; N316-Y366 PolarHBondContact ND2-OH 2.85Å | ||
| 317 | T | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -124.7 | 162.8 | 174.3 | 64.6 | 0 | 0 | 0 | 0 | 110.1 | R324 T325 D326 E526 | T317-R324 WeakPolarHBondContact OG1-CD 3.25Å; T317-R324 PolarHBondContact OG1-NH1 3.27Å; T317-T325 WeakPolarHBondContact CB-O 3.14Å; T317-D326 HydrophobicContact CG2-CB 4.38Å; T317-E526 PolarHBondContact OG1-OE2 2.97Å | ||
| 318 | L | 95.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 159.7 | -174.8 | -64.9 | 176.2 | 0 | 0 | 0 | 110.9 | F313 R324 T325 I328 A338 A339 M340 | F313-L318 HydrophobicContact CD2-CD1 3.38Å; F313-L318 HydrophobicContact CD2-CG 4.32Å; F313-L318 HydrophobicContact CE2-CD1 3.47Å; F313-L318 VanDerWaalsContact CE2-CD1 3.47Å; F313-L318 HydrophobicContact CG-CD1 3.95Å; F313-L318 HydrophobicContact CG-CG 4.47Å; F313-L318 HydrophobicContact CZ-CD1 4.09Å; L318-R324 WeakPolarHBondContact O-CA 3.49Å; L318-R324 WeakPolarHBondContact O-CD 3.29Å; L318-T325 HydrophobicContact CB-CG2 4.39Å; L318-T325 PolarHBondContact N-O 2.86Å; L318-T325 PolarHBondContact O-N 3.32Å; L318-T325 VanDerWaalsContact O-O 3.14Å; L318-I328 HydrophobicContact CD1-CD1 3.63Å; L318-I328 HydrophobicContact CD1-CG1 4.34Å; L318-A338 HydrophobicContact CB-CB 4.29Å; L318-A338 HydrophobicContact CD1-CB 4.13Å; L318-A338 HydrophobicContact CD2-CB 4.41Å; L318-A339 CarbonylContact C-O 3.59Å; L318-A339 WeakPolarHBondContact CA-O 3.28Å; L318-M340 HydrophobicContact CD2-CB 3.47Å; L318-M340 VanDerWaalsContact CD2-CB 3.47Å; L318-M340 HydrophobicContact CD2-CE 3.38Å; L318-M340 HydrophobicContact CD2-CG 3.81Å; L318-M340 HydrophobicContact CD2-SD 4.35Å; L318-M340 HydrophobicContact CG-CE 4.06Å |
| 319 | L | 95.8 | Very high | 95.3 | Very high | 58 Ų | 58 | 16.4 Ų | 16.4 | 30% | 0.304 | 9% | 0.09 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 113 | 161.9 | -71 | 171.2 | 0 | 0 | 0 | 108.9 | H323 R324 A338 A339 | L319-H323 WeakPolarHBondContact CA-O 3.29Å; L319-R324 HydrophobicContact CD2-CB 4.32Å; L319-A338 CarbonylContact O-C 3.57Å; L319-A338 WeakPolarHBondContact O-CA 3.25Å; L319-A339 HydrophobicContact CB-CB 4.48Å; L319-A339 PolarHBondContact N-O 3.33Å; L319-A339 PolarHBondContact O-N 3.38Å |
| 320 | D | 94.3 | Very high | 95.3 | Very high | 28 Ų | 28 | 16.4 Ų | 16.4 | 15% | 0.15 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.4 | 169.4 | 177.8 | 45.8 | 0 | 0 | 0 | 109.1 | G322 H323 T325 I328 | D320-G322 PolarHBondContact O-N 2.93Å; D320-H323 PolarHBondContact N-O 3.04Å; D320-H323 WeakPolarHBondContact O-CB 3.49Å; D320-H323 PolarHBondContact O-N 3.2Å; D320-T325 HydrophobicContact CB-CG2 4.26Å; D320-I328 HydrophobicContact CB-CD1 4.37Å |
| 321 | R | 92 | Very high | 95.4 | Very high | 78 Ų | 78 | 16.6 Ų | 16.6 | 29% | 0.294 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 34.2 | -177.5 | -59.6 | 175.3 | -177 | 95.9 | -7.9 | 114.1 | H323 Y1009 M1011 | R321-H323 VanDerWaalsContact C-N 3.34Å; R321-H323 PolarHBondContact O-CD2 2.76Å; R321-Y1009 PolarHBondContact NE-OH 3.18Å; R321-M1011 HydrophobicContact CB-CE 4.34Å; R321-M1011 VanDerWaalsContact CD-CE 3.41Å |
| 322 | G | 91.1 | Very high | 95.4 | Very high | 34 Ų | 34 | 16.6 Ų | 16.6 | 35% | 0.351 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 0.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | D320 S529 | D320-G322 PolarHBondContact O-N 2.93Å; G322-S529 WeakPolarHBondContact O-CB 3.44Å; G322-S529 PolarHBondContact O-OG 3.3Å |
| 323 | H | 94.1 | Very high | 95.3 | Very high | 18 Ų | 18 | 16.5 Ų | 16.5 | 8% | 0.083 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.5 | 178.3 | -64.7 | -71.6 | 0 | 0 | 0 | 111.9 | L319 D320 R321 D532 Q667 D1012 | L319-H323 WeakPolarHBondContact CA-O 3.29Å; D320-H323 PolarHBondContact N-O 3.04Å; D320-H323 WeakPolarHBondContact O-CB 3.49Å; D320-H323 PolarHBondContact O-N 3.2Å; R321-H323 VanDerWaalsContact C-N 3.34Å; R321-H323 PolarHBondContact O-CD2 2.76Å; H323-D532 WeakPolarHBondContact CA-OD1 3.31Å; H323-D532 WeakPolarHBondContact CB-OD1 3.32Å; H323-D532 IonicContact CE1-OD1 3.86Å; H323-D532 IonicContact CG-OD1 2.68Å; H323-D532 IonicContact ND1-OD1 3.53Å; H323-D532 PolarHBondContact ND1-OD1 2.79Å; H323-Q667 PolarHBondContact CD2-NE2 3.16Å; H323-Q667 PolarHBondContact NE2-NE2 3.03Å; H323-D1012 IonicContact CE1-OD2 2.66Å; H323-D1012 PolarHBondContact CE1-OD2 2.65Å; H323-D1012 IonicContact NE2-OD1 2.78Å; H323-D1012 PolarHBondContact NE2-OD1 3.38Å; H323-D1012 IonicContact NE2-OD2 3.14Å; H323-D1012 PolarHBondContact NE2-OD2 2.87Å |
| 324 | R | 96.3 | Very high | 95.3 | Very high | 35 Ų | 35 | 16.8 Ų | 16.8 | 13% | 0.132 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 124.9 | 179 | -177.8 | 65 | 60 | 176.6 | 6.8 | 110.2 | T317 L318 L319 E526 D532 I536 Y538 | T317-R324 WeakPolarHBondContact OG1-CD 3.25Å; T317-R324 PolarHBondContact OG1-NH1 3.27Å; L318-R324 WeakPolarHBondContact O-CA 3.49Å; L318-R324 WeakPolarHBondContact O-CD 3.29Å; L319-R324 HydrophobicContact CD2-CB 4.32Å; R324-E526 IonicContact CZ-OE1 3.61Å; R324-E526 VanDerWaalsContact CZ-OE1 3.29Å; R324-E526 VanDerWaalsContact NH1-CD 3.35Å; R324-E526 IonicContact NH1-OE1 3.55Å; R324-E526 PolarHBondContact NH1-OE1 2.74Å; R324-E526 IonicContact NH1-OE2 2.66Å; R324-E526 IonicContact NH2-OE1 3.99Å; R324-E526 PolarHBondContact NH2-OE1 3.39Å; R324-D532 VanDerWaalsContact CB-OD2 3.25Å; R324-D532 WeakPolarHBondContact CB-OD2 3.32Å; R324-D532 PolarHBondContact N-OD2 2.86Å; R324-I536 HydrophobicContact CB-CD1 3.85Å; R324-I536 HydrophobicContact CG-CD1 3.8Å; R324-Y538 WeakPolarHBondContact CG-OH 3.47Å |
| 325 | T | 95.4 | Very high | 95.3 | Very high | 32 Ų | 32 | 17.8 Ų | 17.8 | 20% | 0.196 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 171.5 | 175.1 | -167 | 0 | 0 | 0 | 0 | 110.5 | T317 L318 D320 T327 I328 | T317-T325 WeakPolarHBondContact CB-O 3.14Å; L318-T325 HydrophobicContact CB-CG2 4.39Å; L318-T325 PolarHBondContact N-O 2.86Å; L318-T325 PolarHBondContact O-N 3.32Å; L318-T325 VanDerWaalsContact O-O 3.14Å; D320-T325 HydrophobicContact CB-CG2 4.26Å; T325-T327 PolarHBondContact OG1-N 2.77Å; T325-T327 PolarHBondContact OG1-O 3.48Å; T325-I328 HydrophobicContact CG2-CG1 3.96Å |
| 326 | D | 94 | Very high | 95.6 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -127.4 | -21.1 | 170 | 63.1 | -21.2 | 0 | 0 | 0 | 112.6 | F312 F313 T317 H488 G489 Y538 | F312-D326 HydrophobicContact CD2-CB 4.24Å; F312-D326 HydrophobicContact CE2-CB 4.11Å; F312-D326 VanDerWaalsContact CE2-OD2 3.26Å; F312-D326 WeakPolarHBondContact CE2-OD2 3.27Å; F313-D326 PolarHBondContact N-O 3.02Å; F313-D326 VanDerWaalsContact N-O 3.11Å; T317-D326 HydrophobicContact CG2-CB 4.38Å; D326-H488 IonicContact OD1-ND1 3.1Å; D326-H488 VanDerWaalsContact OD2-CA 3.26Å; D326-H488 WeakPolarHBondContact OD2-CA 3.4Å; D326-H488 WeakPolarHBondContact OD2-CB 3.48Å; D326-H488 IonicContact OD2-CE1 2.71Å; D326-H488 IonicContact OD2-CG 3.61Å; D326-H488 VanDerWaalsContact OD2-CG 3.28Å; D326-H488 IonicContact OD2-ND1 3.26Å; D326-H488 PolarHBondContact OD2-ND1 3.1Å; D326-G489 PolarHBondContact OD2-N 2.81Å; D326-Y538 WeakPolarHBondContact OD1-CE1 3.43Å |
| 327 | T | 96.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 6% | 0.055 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.8 | 171.2 | -51.9 | 0 | 0 | 0 | 0 | 110.3 | A311 T325 H488 H679 | A311-T327 VanDerWaalsContact O-CA 3.31Å; A311-T327 WeakPolarHBondContact O-CA 3.18Å; T325-T327 PolarHBondContact OG1-N 2.77Å; T325-T327 PolarHBondContact OG1-O 3.48Å; T327-H488 PolarHBondContact OG1-CE1 2.8Å; T327-H679 HydrophobicContact CG2-CB 4.44Å |
| 328 | I | 97.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 5% | 0.046 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 125.6 | 172.6 | -65 | 174.5 | 0 | 0 | 0 | 108.6 | L299 A311 L318 D320 T325 L330 A336 A338 | L299-I328 HydrophobicContact CD1-CB 4.29Å; L299-I328 HydrophobicContact CD1-CD1 3.73Å; L299-I328 HydrophobicContact CD1-CG2 4.35Å; A311-I328 PolarHBondContact N-O 2.61Å; A311-I328 PolarHBondContact O-N 3.11Å; L318-I328 HydrophobicContact CD1-CD1 3.63Å; L318-I328 HydrophobicContact CD1-CG1 4.34Å; D320-I328 HydrophobicContact CB-CD1 4.37Å; T325-I328 HydrophobicContact CG2-CG1 3.96Å; I328-L330 HydrophobicContact CG2-CD2 3.91Å; I328-L330 HydrophobicContact CG2-CG 4.33Å; I328-A336 HydrophobicContact CG2-CB 4.03Å; I328-A338 HydrophobicContact CD1-CB 3.52Å |
| 329 | S | 97.3 | Very high | 95.9 | Very high | 28 Ų | 28 | 21 Ų | 21 | 20% | 0.196 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 134.4 | 173.7 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | H309 T680 | H309-S329 CarbonylContact O-C 3.56Å; H309-S329 WeakPolarHBondContact O-CA 3.31Å; S329-T680 WeakPolarHBondContact OG-CG2 3.45Å |
| 330 | L | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 134.5 | 176.9 | -50.3 | 164.3 | 0 | 0 | 0 | 108.7 | F236 L299 H309 A311 I328 T334 A336 | F236-L330 HydrophobicContact CB-CD1 4.14Å; F236-L330 HydrophobicContact CD2-CD1 3.57Å; F236-L330 HydrophobicContact CE2-CD1 4.21Å; F236-L330 HydrophobicContact CG-CD1 3.95Å; L299-L330 HydrophobicContact CB-CD1 3.92Å; L299-L330 HydrophobicContact CB-CD2 3.98Å; H309-L330 HydrophobicContact CB-CB 4.16Å; H309-L330 WeakPolarHBondContact CB-O 3.39Å; H309-L330 PolarHBondContact N-O 3.31Å; H309-L330 PolarHBondContact O-N 2.94Å; A311-L330 HydrophobicContact CB-CD1 4.38Å; I328-L330 HydrophobicContact CG2-CD2 3.91Å; I328-L330 HydrophobicContact CG2-CG 4.33Å; L330-T334 HydrophobicContact CD2-CG2 4.3Å; L330-A336 HydrophobicContact CD2-CB 4.06Å |
| 331 | F | 97.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 2% | 0.022 | 12% | 0.115 | C | C | . | . | trans | -122.7 | 177.6 | 177.4 | -48.2 | -85.7 | 0 | 0 | 0 | 108.8 | G301 D307 I308 A333 T334 F677 M997 T999 D1021 F1023 | G301-F331 CarbonylContact C-O 3.54Å; G301-F331 VanDerWaalsContact C-O 3.23Å; G301-F331 VanDerWaalsContact CA-O 3.24Å; G301-F331 WeakPolarHBondContact CA-O 3.43Å; D307-F331 WeakPolarHBondContact O-CA 3.34Å; I308-F331 HydrophobicContact CB-CD1 4.46Å; I308-F331 HydrophobicContact CB-CE1 4.29Å; I308-F331 HydrophobicContact CG1-CD1 3.95Å; I308-F331 HydrophobicContact CG1-CE1 3.94Å; I308-F331 HydrophobicContact CG2-CD1 4.45Å; I308-F331 HydrophobicContact CG2-CE1 3.82Å; F331-A333 PolarHBondContact O-N 2.96Å; F331-T334 WeakPolarHBondContact CA-OG1 3.48Å; F331-T334 WeakPolarHBondContact CB-OG1 3.37Å; F331-T334 WeakPolarHBondContact CD2-OG1 3.48Å; F331-T334 PolarHBondContact N-OG1 3.24Å; F331-T334 WeakPolarHBondContact O-CB 3.35Å; F331-T334 PolarHBondContact O-N 3.39Å; F331-T334 PolarHBondContact O-OG1 2.84Å; F331-F677 AromaticContact CE1-CD1 3.69Å; F331-F677 HydrophobicContact CE1-CD1 3.69Å; F331-F677 AromaticContact CE1-CE1 3.53Å; F331-F677 HydrophobicContact CE1-CE1 3.53Å; F331-F677 HydrophobicContact CE1-CE2 4.48Å; F331-F677 HydrophobicContact CE1-CG 4.22Å; F331-F677 AromaticContact CE1-CZ 3.98Å; F331-F677 HydrophobicContact CE1-CZ 3.98Å; F331-F677 HydrophobicContact CE2-CE2 4.16Å; F331-F677 HydrophobicContact CE2-CZ 4.12Å; F331-F677 AromaticContact CZ-CD1 3.63Å; F331-F677 HydrophobicContact CZ-CD1 3.63Å; F331-F677 AromaticContact CZ-CD2 3.72Å; F331-F677 HydrophobicContact CZ-CD2 3.72Å; F331-F677 AromaticContact CZ-CE1 3.38Å; F331-F677 HydrophobicContact CZ-CE1 3.38Å; F331-F677 AromaticContact CZ-CE2 3.52Å; F331-F677 HydrophobicContact CZ-CE2 3.52Å; F331-F677 AromaticContact CZ-CG 3.78Å; F331-F677 HydrophobicContact CZ-CG 3.78Å; F331-F677 AromaticContact CZ-CZ 3.34Å; F331-F677 HydrophobicContact CZ-CZ 3.34Å; F331-M997 HydrophobicContact CD1-SD 4.26Å; F331-T999 HydrophobicContact CB-CG2 3.95Å; F331-D1021 HydrophobicContact CD2-CB 4.37Å; F331-F1023 AromaticContact CD1-CE1 3.75Å; F331-F1023 HydrophobicContact CD1-CE1 3.75Å; F331-F1023 AromaticContact CD1-CZ 3.98Å; F331-F1023 HydrophobicContact CD1-CZ 3.98Å; F331-F1023 HydrophobicContact CD2-CE1 4.23Å; F331-F1023 AromaticContact CD2-CZ 3.6Å; F331-F1023 HydrophobicContact CD2-CZ 3.6Å; F331-F1023 AromaticContact CE1-CE1 3.52Å; F331-F1023 HydrophobicContact CE1-CE1 3.52Å; F331-F1023 AromaticContact CE1-CZ 3.73Å; F331-F1023 HydrophobicContact CE1-CZ 3.73Å; F331-F1023 HydrophobicContact CE2-CE1 4.07Å; F331-F1023 HydrophobicContact CE2-CE2 4.24Å; F331-F1023 AromaticContact CE2-CZ 3.37Å; F331-F1023 HydrophobicContact CE2-CZ 3.37Å; F331-F1023 HydrophobicContact CG-CE1 4.1Å; F331-F1023 AromaticContact CG-CZ 3.91Å; F331-F1023 HydrophobicContact CG-CZ 3.91Å; F331-F1023 AromaticContact CZ-CE1 3.72Å; F331-F1023 HydrophobicContact CZ-CE1 3.72Å; F331-F1023 HydrophobicContact CZ-CE2 4.43Å; F331-F1023 AromaticContact CZ-CZ 3.45Å; F331-F1023 HydrophobicContact CZ-CZ 3.45Å; F331-F1023 VanDerWaalsContact CZ-CZ 3.45Å | ||
| 332 | P | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -53.7 | 114.6 | 177.7 | -32.2 | 40.8 | 0 | 0 | 0 | 113.2 | G303 N304 D307 T334 T999 V1046 | G303-P332 WeakPolarHBondContact O-CG 2.9Å; N304-P332 WeakPolarHBondContact O-CG 3.2Å; D307-P332 HydrophobicContact CB-CG 3.96Å; P332-T334 VanDerWaalsContact C-N 3.32Å; P332-T334 PolarHBondContact O-N 3.43Å; P332-T999 WeakPolarHBondContact O-CB 3.42Å; P332-T999 WeakPolarHBondContact O-CG2 3.09Å; P332-T999 PolarHBondContact O-OG1 3.06Å; P332-V1046 HydrophobicContact CB-CG2 4.11Å; P332-V1046 HydrophobicContact CG-CB 4.49Å; P332-V1046 HydrophobicContact CG-CG2 3.96Å |
| 333 | A | 95.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 20.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | G301 M302 F331 F335 V1019 H1045 | G301-A333 WeakPolarHBondContact O-CA 3.47Å; G301-A333 PolarHBondContact O-N 3.17Å; M302-A333 HydrophobicContact CE-CB 3.85Å; F331-A333 PolarHBondContact O-N 2.96Å; A333-F335 HydrophobicContact CB-CE1 4.27Å; A333-F335 HydrophobicContact CB-CZ 4Å; A333-F335 WeakPolarHBondContact O-CE1 3.26Å; A333-F335 WeakPolarHBondContact O-CE2 3.44Å; A333-F335 VanDerWaalsContact O-CZ 3.25Å; A333-F335 WeakPolarHBondContact O-CZ 3.39Å; A333-V1019 HydrophobicContact CB-CG1 4.31Å; A333-V1019 HydrophobicContact CB-CG2 4.17Å; A333-V1019 WeakPolarHBondContact O-CG1 3.45Å; A333-H1045 HydrophobicContact CB-CB 3.62Å |
| 334 | T | 96.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 4% | 0.037 | 10% | 0.097 | C | C | . | . | trans | -70.5 | 132.2 | 165 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | F300 G301 L330 F331 P332 D1021 | F300-T334 WeakPolarHBondContact CA-O 3.49Å; F300-T334 WeakPolarHBondContact CB-O 3.3Å; G301-T334 PolarHBondContact N-O 2.83Å; L330-T334 HydrophobicContact CD2-CG2 4.3Å; F331-T334 WeakPolarHBondContact CA-OG1 3.48Å; F331-T334 WeakPolarHBondContact CB-OG1 3.37Å; F331-T334 WeakPolarHBondContact CD2-OG1 3.48Å; F331-T334 PolarHBondContact N-OG1 3.24Å; F331-T334 WeakPolarHBondContact O-CB 3.35Å; F331-T334 PolarHBondContact O-N 3.39Å; F331-T334 PolarHBondContact O-OG1 2.84Å; P332-T334 VanDerWaalsContact C-N 3.32Å; P332-T334 PolarHBondContact O-N 3.43Å; T334-D1021 WeakPolarHBondContact CG2-OD2 3.44Å; T334-D1021 VanDerWaalsContact OG1-CG 3.28Å; T334-D1021 PolarHBondContact OG1-OD1 2.7Å; T334-D1021 PolarHBondContact OG1-OD2 3.37Å | ||
| 335 | F | 96.8 | Very high | 95.5 | Very high | 24 Ų | 24 | 21.4 Ų | 21.4 | 11% | 0.105 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.2 | 178 | -47.4 | -48.8 | 0 | 0 | 0 | 111.7 | H130 T184 W185 I186 F300 A333 D1018 V1019 | H130-F335 HydrophobicContact CB-CE2 4.22Å; H130-F335 HydrophobicContact CB-CZ 4.37Å; H130-F335 AromaticContact CG-CZ 3.93Å; H130-F335 AromaticContact ND1-CE2 3.6Å; H130-F335 AromaticContact ND1-CZ 3.64Å; T184-F335 WeakPolarHBondContact O-CB 3.4Å; W185-F335 AromaticContact CE3-CD2 3.79Å; W185-F335 HydrophobicContact CE3-CD2 3.79Å; W185-F335 HydrophobicContact CE3-CE2 4.2Å; W185-F335 HydrophobicContact CZ3-CD2 4.16Å; I186-F335 HydrophobicContact CB-CE1 4.2Å; I186-F335 HydrophobicContact CD1-CE1 3.77Å; I186-F335 HydrophobicContact CD1-CZ 3.93Å; I186-F335 HydrophobicContact CG1-CE1 3.64Å; I186-F335 HydrophobicContact CG1-CZ 3.66Å; I186-F335 HydrophobicContact CG2-CD1 4.16Å; I186-F335 HydrophobicContact CG2-CE1 3.67Å; I186-F335 HydrophobicContact CG2-CZ 4.5Å; F300-F335 HydrophobicContact CB-CD1 3.81Å; F300-F335 HydrophobicContact CB-CE1 4.36Å; A333-F335 HydrophobicContact CB-CE1 4.27Å; A333-F335 HydrophobicContact CB-CZ 4Å; A333-F335 WeakPolarHBondContact O-CE1 3.26Å; A333-F335 WeakPolarHBondContact O-CE2 3.44Å; A333-F335 VanDerWaalsContact O-CZ 3.25Å; A333-F335 WeakPolarHBondContact O-CZ 3.39Å; F335-D1018 WeakPolarHBondContact CE2-OD1 3.49Å; F335-V1019 HydrophobicContact CE2-CB 4.24Å; F335-V1019 HydrophobicContact CE2-CG2 3.69Å; F335-V1019 HydrophobicContact CZ-CG2 4.16Å |
| 336 | A | 96.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 143.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T184 L299 I328 L330 | T184-A336 PolarHBondContact OG1-O 2.81Å; L299-A336 HydrophobicContact CB-CB 4.35Å; L299-A336 PolarHBondContact N-O 2.9Å; L299-A336 PolarHBondContact O-N 2.88Å; I328-A336 HydrophobicContact CG2-CB 4.03Å; L330-A336 HydrophobicContact CD2-CB 4.06Å |
| 337 | T | 96.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 24.2 Ų | 24.2 | 12% | 0.117 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 105.9 | 170.2 | -53.8 | 0 | 0 | 0 | 0 | 108.9 | A180 T184 W297 | A180-T337 HydrophobicContact CB-CG2 4.13Å; T184-T337 PolarHBondContact N-OG1 3.12Å; T184-T337 PolarHBondContact OG1-OG1 3.05Å; W297-T337 WeakPolarHBondContact O-CA 3.1Å |
| 338 | A | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 144.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | W297 L318 L319 I328 | W297-A338 HydrophobicContact CB-CB 4.42Å; W297-A338 PolarHBondContact N-O 2.8Å; W297-A338 PolarHBondContact O-N 2.96Å; L318-A338 HydrophobicContact CB-CB 4.29Å; L318-A338 HydrophobicContact CD1-CB 4.13Å; L318-A338 HydrophobicContact CD2-CB 4.41Å; L319-A338 CarbonylContact O-C 3.57Å; L319-A338 WeakPolarHBondContact O-CA 3.25Å; I328-A338 HydrophobicContact CD1-CB 3.52Å |
| 339 | A | 96.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 23.6 Ų | 23.6 | 42% | 0.421 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L318 L319 | L318-A339 CarbonylContact C-O 3.59Å; L318-A339 WeakPolarHBondContact CA-O 3.28Å; L319-A339 HydrophobicContact CB-CB 4.48Å; L319-A339 PolarHBondContact N-O 3.33Å; L319-A339 PolarHBondContact O-N 3.38Å |
| 340 | M | 95.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 144.6 | 176.1 | -165.3 | -176 | -88.9 | 0 | 0 | 110.9 | P294 V295 W297 F313 N316 L318 P342 | P294-M340 WeakPolarHBondContact CA-O 3.37Å; V295-M340 HydrophobicContact CB-CB 4.43Å; V295-M340 PolarHBondContact N-O 3.3Å; V295-M340 PolarHBondContact O-N 2.9Å; W297-M340 HydrophobicContact CZ2-CE 4.34Å; W297-M340 HydrophobicContact CZ2-SD 4.29Å; F313-M340 HydrophobicContact CB-CE 3.86Å; F313-M340 HydrophobicContact CD1-CE 3.43Å; F313-M340 VanDerWaalsContact CD1-CE 3.43Å; F313-M340 HydrophobicContact CE1-CE 4.21Å; F313-M340 HydrophobicContact CG-CE 3.83Å; N316-M340 HydrophobicContact CB-CE 3.86Å; N316-M340 HydrophobicContact CB-SD 4.03Å; L318-M340 HydrophobicContact CD2-CB 3.47Å; L318-M340 VanDerWaalsContact CD2-CB 3.47Å; L318-M340 HydrophobicContact CD2-CE 3.38Å; L318-M340 HydrophobicContact CD2-CG 3.81Å; L318-M340 HydrophobicContact CD2-SD 4.35Å; L318-M340 HydrophobicContact CG-CE 4.06Å; M340-P342 HydrophobicContact CG-CG 4.27Å; M340-P342 HydrophobicContact SD-CG 3.99Å |
| 341 | V | 95.3 | Very high | 95.3 | Very high | 47 Ų | 47 | 22.3 Ų | 22.3 | 29% | 0.285 | 12% | 0.117 | S | C | . | . | trans | -124 | 95.2 | 162 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | P294 K343 | P294-V341 HydrophobicContact CB-CG2 4.44Å; V341-K343 WeakPolarHBondContact O-CD 3.18Å; V341-K343 VanDerWaalsContact O-CE 3.27Å; V341-K343 WeakPolarHBondContact O-CE 3.43Å; V341-K343 PolarHBondContact O-N 3.36Å | ||
| 342 | P | 93.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -56.9 | 129.3 | -173.3 | -24.5 | 33.4 | 0 | 0 | 0 | 112.2 | L289 H292 R293 V295 N316 M340 V368 | L289-P342 HydrophobicContact CB-CG 4.22Å; L289-P342 HydrophobicContact CD1-CG 4.1Å; H292-P342 PolarHBondContact N-O 2.8Å; R293-P342 WeakPolarHBondContact O-CD 3.42Å; V295-P342 HydrophobicContact CG2-CG 4.33Å; N316-P342 WeakPolarHBondContact OD1-CA 3.28Å; M340-P342 HydrophobicContact CG-CG 4.27Å; M340-P342 HydrophobicContact SD-CG 3.99Å; P342-V368 HydrophobicContact CB-CB 4.43Å; P342-V368 HydrophobicContact CB-CG1 3.69Å; P342-V368 HydrophobicContact CB-CG2 3.78Å; P342-V368 HydrophobicContact CG-CG2 4.49Å | ||
| 343 | K | 89.6 | Confident | 95.2 | Very high | 47 Ų | 47 | 22.2 Ų | 22.2 | 20% | 0.204 | 12% | 0.117 | C | C | . | . | trans | -103.2 | -45.2 | -175.7 | -56.1 | -56.9 | -178.5 | -173.7 | 0 | 112.6 | Q291 N316 V341 L525 E526 | Q291-K343 PolarHBondContact NE2-O 2.88Å; N316-K343 PolarHBondContact OD1-N 3.09Å; V341-K343 WeakPolarHBondContact O-CD 3.18Å; V341-K343 VanDerWaalsContact O-CE 3.27Å; V341-K343 WeakPolarHBondContact O-CE 3.43Å; V341-K343 PolarHBondContact O-N 3.36Å; K343-L525 HydrophobicContact CB-CD1 3.89Å; K343-L525 HydrophobicContact CG-CD1 4.39Å; K343-E526 VanDerWaalsContact CE-OE2 3.29Å; K343-E526 WeakPolarHBondContact CE-OE2 3.18Å; K343-E526 IonicContact NZ-OE1 2.72Å | ||
| 344 | M | 89.6 | Confident | 95.4 | Very high | 30 Ų | 30 | 22.2 Ų | 22.2 | 15% | 0.148 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -101.9 | 134.7 | -172.4 | -62 | -57.3 | -71.3 | 0 | 0 | 111.1 | W348 V368 H491 Y492 E493 L525 | M344-W348 HydrophobicContact CB-CH2 4.3Å; M344-W348 HydrophobicContact CB-CZ2 3.52Å; M344-W348 PolarHBondContact O-NE1 2.86Å; M344-V368 WeakPolarHBondContact O-CB 3.31Å; M344-V368 WeakPolarHBondContact O-CG1 3.4Å; M344-H491 HydrophobicContact CG-CB 3.93Å; M344-Y492 WeakPolarHBondContact CE-O 3.26Å; M344-E493 HydrophobicContact CE-CG 3.69Å; M344-L525 HydrophobicContact SD-CD1 4.07Å |
| 345 | R | 92 | Very high | 95.3 | Very high | 133 Ų | 133 | 22 Ų | 22 | 50% | 0.502 | 12% | 0.116 | S | C | . | . | trans | -76.5 | 151.8 | 176.6 | -62.4 | 178.1 | -173.7 | -174.1 | -3.7 | 110.5 | Q291 V368 S370 | Q291-R345 VanDerWaalsContact OE1-CZ 3.3Å; R345-V368 WeakPolarHBondContact CA-O 3.48Å; R345-S370 VanDerWaalsContact CZ-OG 3.28Å; R345-S370 PolarHBondContact NH2-OG 2.6Å | ||
| 346 | G | 93 | Very high | 95.2 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 25% | 0.247 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 134.5 | 173.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V368 | G346-V368 PolarHBondContact N-O 2.99Å; G346-V368 PolarHBondContact O-N 2.91Å |
| 347 | K | 94.8 | Very high | 95.2 | Very high | 70 Ų | 70 | 22.5 Ų | 22.5 | 30% | 0.304 | 12% | 0.119 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 116.3 | 170.4 | -178.3 | -178.5 | 172.2 | -157.6 | 0 | 108.3 | F365 K494 E502 D503 | K347-F365 HydrophobicContact CD-CD1 4.36Å; K347-F365 HydrophobicContact CD-CG 4.44Å; K347-F365 VanDerWaalsContact CE-CD1 3.44Å; K347-F365 HydrophobicContact CG-CB 4.3Å; K347-F365 HydrophobicContact CG-CD1 4.14Å; K347-F365 HydrophobicContact CG-CG 4.39Å; K347-K494 WeakPolarHBondContact O-CE 3.45Å; K347-K494 PolarHBondContact O-NZ 2.86Å; K347-E502 PolarHBondContact NZ-O 3.24Å; K347-D503 HydrophobicContact CB-CB 4.24Å; K347-D503 HydrophobicContact CD-CB 4.43Å |
| 348 | W | 95.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 149 | -173.6 | -64.8 | 101.9 | 0 | 0 | 0 | 110.9 | H314 M344 F365 Y366 Y492 K494 | H314-W348 HydrophobicContact CB-CE3 4.18Å; H314-W348 VanDerWaalsContact O-CE3 3.24Å; M344-W348 HydrophobicContact CB-CH2 4.3Å; M344-W348 HydrophobicContact CB-CZ2 3.52Å; M344-W348 PolarHBondContact O-NE1 2.86Å; W348-F365 WeakPolarHBondContact O-CA 3.11Å; W348-Y366 HydrophobicContact CB-CD1 3.92Å; W348-Y366 HydrophobicContact CB-CD2 4.13Å; W348-Y366 HydrophobicContact CB-CE1 3.4Å; W348-Y366 VanDerWaalsContact CB-CE1 3.4Å; W348-Y366 HydrophobicContact CB-CE2 3.66Å; W348-Y366 HydrophobicContact CB-CG 4.26Å; W348-Y366 AromaticContact CD1-CE2 3.87Å; W348-Y366 HydrophobicContact CG-CE1 4.45Å; W348-Y366 AromaticContact CG-CE2 3.99Å; W348-Y366 HydrophobicContact CG-CE2 3.99Å; W348-Y366 AromaticContact CG-CZ 3.86Å; W348-Y366 PolarHBondContact N-O 2.83Å; W348-Y366 PolarHBondContact O-N 3.5Å; W348-Y492 HydrophobicContact CH2-CD2 4.14Å; W348-Y492 HydrophobicContact CH2-CE2 4.01Å; W348-Y492 WeakPolarHBondContact CH2-O 3.4Å; W348-Y492 HydrophobicContact CZ3-CD2 4.14Å; W348-Y492 AromaticContact CZ3-CE2 3.53Å; W348-Y492 HydrophobicContact CZ3-CE2 3.53Å; W348-K494 HydrophobicContact CH2-CD 4.27Å; W348-K494 HydrophobicContact CZ3-CD 4.37Å |
| 349 | L | 96.3 | Very high | 95 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 139.4 | 174.8 | -172.4 | 67.3 | 0 | 0 | 0 | 110.3 | L49 H314 Q363 F365 Y501 | L49-L349 HydrophobicContact CD2-CD1 3.77Å; H314-L349 HydrophobicContact CB-CB 4.29Å; H314-L349 VanDerWaalsContact CB-O 3.26Å; H314-L349 WeakPolarHBondContact CB-O 3.22Å; H314-L349 PolarHBondContact CD2-O 2.97Å; H314-L349 PolarHBondContact N-O 2.79Å; L349-Q363 HydrophobicContact CD1-CB 4.14Å; L349-F365 HydrophobicContact CD1-CD1 4.23Å; L349-F365 HydrophobicContact CD1-CE1 3.98Å; L349-Y501 HydrophobicContact CB-CD1 4.07Å; L349-Y501 HydrophobicContact CB-CE1 3.59Å; L349-Y501 HydrophobicContact CB-CE2 4.21Å; L349-Y501 HydrophobicContact CD2-CD1 3.79Å; L349-Y501 HydrophobicContact CD2-CE1 3.97Å; L349-Y501 HydrophobicContact CD2-CG 4.49Å; L349-Y501 HydrophobicContact CG-CD1 4.46Å; L349-Y501 HydrophobicContact CG-CE1 4.4Å; L349-Y501 PolarHBondContact N-OH 3.04Å |
| 350 | L | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.7 | 162.4 | 170 | 62.1 | 0 | 0 | 0 | 106.2 | L234 F236 I276 F312 F313 Q363 A364 Y366 | L234-L350 HydrophobicContact CD1-CD2 3.27Å; F236-L350 HydrophobicContact CZ-CD1 4.23Å; F236-L350 HydrophobicContact CZ-CD2 4.21Å; F236-L350 HydrophobicContact CZ-CG 4.24Å; I276-L350 HydrophobicContact CD1-CG 4.46Å; F312-L350 WeakPolarHBondContact O-CA 3.48Å; F312-L350 WeakPolarHBondContact O-CD1 3.33Å; F313-L350 HydrophobicContact CD1-CD1 3.87Å; F313-L350 HydrophobicContact CD2-CD1 3.86Å; F313-L350 HydrophobicContact CE1-CD1 3.72Å; F313-L350 HydrophobicContact CE1-CD2 4.2Å; F313-L350 HydrophobicContact CE2-CD1 3.69Å; F313-L350 HydrophobicContact CG-CD1 3.96Å; F313-L350 HydrophobicContact CZ-CD1 3.63Å; F313-L350 HydrophobicContact CZ-CD2 4.35Å; L350-Q363 CarbonylContact O-C 3.58Å; L350-Q363 WeakPolarHBondContact O-CA 3.2Å; L350-A364 PolarHBondContact N-O 3.13Å; L350-A364 PolarHBondContact O-N 3.19Å; L350-A364 VanDerWaalsContact O-O 3.14Å; L350-Y366 HydrophobicContact CB-CD1 4.2Å; L350-Y366 HydrophobicContact CB-CE1 4.5Å |
| 351 | S | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 148.6 | -174.3 | 50.9 | 0 | 0 | 0 | 0 | 111.4 | F312 H314 Q353 | F312-S351 PolarHBondContact N-O 3.4Å; F312-S351 PolarHBondContact O-N 2.97Å; H314-S351 PolarHBondContact NE2-OG 3.3Å; S351-Q353 PolarHBondContact OG-NE2 2.84Å |
| 352 | C | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 142.2 | 155.4 | -165.9 | 0 | 0 | 0 | 0 | 108.7 | S310 H357 L358 M362 | S310-C352 PolarHBondContact N-SG 3.33Å; S310-C352 VanDerWaalsContact N-SG 3.45Å; S310-C352 CarbonylContact O-C 3.52Å; S310-C352 WeakPolarHBondContact O-CA 3.42Å; C352-H357 HydrophobicContact CB-CB 4.07Å; C352-L358 WeakPolarHBondContact O-CD1 3.47Å; C352-M362 HydrophobicContact CB-CB 3.92Å; C352-M362 HydrophobicContact CB-CG 3.92Å; C352-M362 HydrophobicContact CB-SD 3.61Å; C352-M362 PolarHBondContact N-O 3.03Å |
| 353 | Q | 96.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.019 | 10% | 0.102 | C | C | . | . | trans | -109.4 | 13.3 | 179.5 | -61.7 | -65 | -95.1 | 0 | 0 | 113.5 | S310 F312 S351 Y541 H679 | S310-Q353 PolarHBondContact O-N 3.03Å; F312-Q353 HydrophobicContact CB-CG 3.34Å; F312-Q353 HydrophobicContact CD1-CG 4.02Å; F312-Q353 HydrophobicContact CG-CG 4Å; S351-Q353 PolarHBondContact OG-NE2 2.84Å; Q353-Y541 PolarHBondContact OE1-OH 3.22Å; Q353-H679 HydrophobicContact CB-CB 3.76Å; Q353-H679 VanDerWaalsContact CB-CD2 3.47Å; Q353-H679 WeakPolarHBondContact CB-CD2 3.49Å; Q353-H679 HydrophobicContact CG-CB 4.2Å; Q353-H679 PolarHBondContact O-CD2 2.99Å | ||
| 354 | V | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -80.3 | 129.6 | 166.3 | -170.4 | 0 | 0 | 0 | 0 | 106.7 | I308 D356 H357 L358 E651 P678 | I308-V354 HydrophobicContact CG2-CG2 4.31Å; I308-V354 WeakPolarHBondContact O-CG2 3.32Å; V354-D356 WeakPolarHBondContact CG1-OD1 3.33Å; V354-D356 PolarHBondContact O-N 3.43Å; V354-H357 HydrophobicContact CB-CB 4.11Å; V354-H357 PolarHBondContact O-N 3.48Å; V354-L358 VanDerWaalsContact O-CB 3.31Å; V354-L358 WeakPolarHBondContact O-CB 3.46Å; V354-L358 PolarHBondContact O-N 2.87Å; V354-E651 HydrophobicContact CG1-CB 4.33Å; V354-P678 HydrophobicContact CB-CG 4.46Å; V354-P678 HydrophobicContact CG1-CG 4.27Å; V354-P678 HydrophobicContact CG2-CB 4.06Å; V354-P678 HydrophobicContact CG2-CG 3.93Å |
| 355 | N | 95.9 | Very high | 96 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.011 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.1 | -49.8 | -162.8 | -80.6 | -15.3 | 0 | 0 | 0 | 114.2 | L358 Q359 V547 N551 G649 T650 | N355-L358 PolarHBondContact O-N 3.4Å; N355-Q359 WeakPolarHBondContact O-CG 3.32Å; N355-Q359 PolarHBondContact O-N 3.28Å; N355-V547 HydrophobicContact CB-CB 4.44Å; N355-V547 HydrophobicContact CB-CG1 3.89Å; N355-V547 HydrophobicContact CB-CG2 3.84Å; N355-N551 PolarHBondContact ND2-ND2 3.15Å; N355-G649 PolarHBondContact N-O 2.87Å; N355-G649 VanDerWaalsContact N-O 3.1Å; N355-T650 HydrophobicContact CB-CG2 3.96Å |
| 356 | D | 93.6 | Very high | 96.2 | Very high | 36 Ų | 36 | 12.3 Ų | 12.3 | 19% | 0.193 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.1 | -48.4 | 175.6 | 64 | -38.9 | 0 | 0 | 0 | 111.1 | V354 L358 Q359 A360 E651 | V354-D356 WeakPolarHBondContact CG1-OD1 3.33Å; V354-D356 PolarHBondContact O-N 3.43Å; D356-L358 VanDerWaalsContact C-N 3.27Å; D356-L358 PolarHBondContact O-N 2.76Å; D356-Q359 PolarHBondContact O-N 2.77Å; D356-Q359 VanDerWaalsContact O-N 3.16Å; D356-A360 WeakPolarHBondContact O-CB 3.38Å; D356-A360 PolarHBondContact O-N 3Å; D356-E651 VanDerWaalsContact CG-OE2 3.28Å |
| 357 | H | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.9 | -37.8 | 176.3 | -65.1 | 178.5 | 0 | 0 | 0 | 112.7 | H274 V306 I308 H309 C352 V354 G361 M362 | H274-H357 AromaticContact CD2-CD2 3.35Å; H274-H357 PolarHBondContact CD2-CD2 3.24Å; H274-H357 AromaticContact NE2-CD2 3.6Å; V306-H357 PolarHBondContact O-CE1 3.22Å; V306-H357 PolarHBondContact O-NE2 3.41Å; I308-H357 PolarHBondContact O-CE1 2.91Å; I308-H357 PolarHBondContact O-ND1 2.91Å; I308-H357 VanDerWaalsContact O-ND1 3.08Å; H309-H357 AromaticContact CE1-CE1 3.51Å; H309-H357 AromaticContact CE1-ND1 3.67Å; H309-H357 AromaticContact ND1-CE1 3.69Å; H309-H357 AromaticContact ND1-ND1 3.44Å; H309-H357 PolarHBondContact ND1-ND1 3.32Å; C352-H357 HydrophobicContact CB-CB 4.07Å; V354-H357 HydrophobicContact CB-CB 4.11Å; V354-H357 PolarHBondContact O-N 3.48Å; H357-G361 PolarHBondContact O-N 3.02Å; H357-M362 HydrophobicContact CB-CB 4.32Å; H357-M362 HydrophobicContact CB-CE 4.3Å; H357-M362 VanDerWaalsContact O-CB 3.22Å; H357-M362 WeakPolarHBondContact O-CB 3.35Å; H357-M362 PolarHBondContact O-N 3.14Å |
| 358 | L | 95.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 11.8 Ų | 11.8 | 8% | 0.079 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67 | -46.4 | 177.4 | -179.9 | 66.9 | 0 | 0 | 0 | 110.7 | C352 V354 N355 D356 G361 Q363 P546 V547 | C352-L358 WeakPolarHBondContact O-CD1 3.47Å; V354-L358 VanDerWaalsContact O-CB 3.31Å; V354-L358 WeakPolarHBondContact O-CB 3.46Å; V354-L358 PolarHBondContact O-N 2.87Å; N355-L358 PolarHBondContact O-N 3.4Å; D356-L358 VanDerWaalsContact C-N 3.27Å; D356-L358 PolarHBondContact O-N 2.76Å; L358-G361 PolarHBondContact O-N 2.9Å; L358-Q363 VanDerWaalsContact CD1-CD 3.4Å; L358-Q363 HydrophobicContact CD1-CG 3.79Å; L358-Q363 PolarHBondContact O-OE1 2.92Å; L358-P546 HydrophobicContact CD2-CB 4.13Å; L358-P546 HydrophobicContact CD2-CG 3.52Å; L358-V547 HydrophobicContact CD2-CG2 4.32Å |
| 359 | Q | 94.3 | Very high | 96.3 | Very high | 52 Ų | 52 | 14.8 Ų | 14.8 | 24% | 0.243 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66.3 | -37 | 177.4 | -75.5 | 176.9 | -33.7 | 0 | 0 | 112.4 | N355 D356 G361 V547 | N355-Q359 WeakPolarHBondContact O-CG 3.32Å; N355-Q359 PolarHBondContact O-N 3.28Å; D356-Q359 PolarHBondContact O-N 2.77Å; D356-Q359 VanDerWaalsContact O-N 3.16Å; Q359-G361 PolarHBondContact O-N 3.24Å; Q359-V547 HydrophobicContact CG-CG2 3.84Å |
| 360 | A | 96.3 | Very high | 96 | Very high | 5 Ų | 5 | 17.5 Ų | 17.5 | 4% | 0.041 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 3.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | F63 H274 F281 D356 | F63-A360 HydrophobicContact CE1-CB 4.4Å; F63-A360 HydrophobicContact CE2-CB 3.69Å; F63-A360 HydrophobicContact CZ-CB 3.63Å; H274-A360 HydrophobicContact CB-CB 3.77Å; H274-A360 VanDerWaalsContact ND1-CB 3.29Å; H274-A360 WeakPolarHBondContact ND1-CB 3.34Å; F281-A360 VanDerWaalsContact CE2-O 3.28Å; F281-A360 WeakPolarHBondContact CE2-O 3.42Å; F281-A360 VanDerWaalsContact CZ-C 3.49Å; F281-A360 WeakPolarHBondContact CZ-O 3.32Å; D356-A360 WeakPolarHBondContact O-CB 3.38Å; D356-A360 PolarHBondContact O-N 3Å |
| 361 | G | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | 22.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | F281 H357 L358 Q359 Q363 | F281-G361 PolarHBondContact N-O 3.4Å; H357-G361 PolarHBondContact O-N 3.02Å; L358-G361 PolarHBondContact O-N 2.9Å; Q359-G361 PolarHBondContact O-N 3.24Å; G361-Q363 PolarHBondContact O-N 3.49Å |
| 362 | M | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -73 | 70.1 | 175.9 | -163.4 | -179.8 | -64.8 | 0 | 0 | 112.3 | F236 V238 H274 I276 H309 C352 H357 | F236-M362 HydrophobicContact CB-SD 4.47Å; F236-M362 HydrophobicContact CD1-CG 4.4Å; F236-M362 HydrophobicContact CD1-SD 3.77Å; V238-M362 HydrophobicContact CG2-CE 4.05Å; H274-M362 HydrophobicContact CB-CB 4.21Å; H274-M362 HydrophobicContact CB-CE 3.92Å; H274-M362 VanDerWaalsContact O-CA 3.3Å; H274-M362 WeakPolarHBondContact O-CA 3.49Å; H274-M362 WeakPolarHBondContact O-CB 3.48Å; I276-M362 HydrophobicContact CD1-CG 4.45Å; I276-M362 HydrophobicContact CG1-CG 3.92Å; H309-M362 WeakPolarHBondContact CE1-CE 3.28Å; H309-M362 PolarHBondContact ND1-SD 3.21Å; C352-M362 HydrophobicContact CB-CB 3.92Å; C352-M362 HydrophobicContact CB-CG 3.92Å; C352-M362 HydrophobicContact CB-SD 3.61Å; C352-M362 PolarHBondContact N-O 3.03Å; H357-M362 HydrophobicContact CB-CB 4.32Å; H357-M362 HydrophobicContact CB-CE 4.3Å; H357-M362 VanDerWaalsContact O-CB 3.22Å; H357-M362 WeakPolarHBondContact O-CB 3.35Å; H357-M362 PolarHBondContact O-N 3.14Å | ||
| 363 | Q | 97.4 | Very high | 92.6 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 12% | 0.121 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 144.9 | -170.3 | -60.8 | 179.1 | -98.7 | 0 | 0 | 111.3 | L49 G282 L349 L350 L358 G361 | L49-Q363 HydrophobicContact CD1-CB 3.98Å; L49-Q363 HydrophobicContact CD1-CG 4.28Å; L49-Q363 HydrophobicContact CD2-CB 3.85Å; G282-Q363 VanDerWaalsContact CA-O 3.24Å; G282-Q363 WeakPolarHBondContact CA-O 3.36Å; G282-Q363 PolarHBondContact N-O 3.48Å; L349-Q363 HydrophobicContact CD1-CB 4.14Å; L350-Q363 CarbonylContact O-C 3.58Å; L350-Q363 WeakPolarHBondContact O-CA 3.2Å; L358-Q363 VanDerWaalsContact CD1-CD 3.4Å; L358-Q363 HydrophobicContact CD1-CG 3.79Å; L358-Q363 PolarHBondContact O-OE1 2.92Å; G361-Q363 PolarHBondContact O-N 3.49Å |
| 364 | A | 97.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 166.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I276 L284 L350 | I276-A364 HydrophobicContact CD1-CB 3.84Å; L284-A364 HydrophobicContact CB-CB 3.69Å; L284-A364 HydrophobicContact CD2-CB 3.54Å; L284-A364 HydrophobicContact CG-CB 4.24Å; L350-A364 PolarHBondContact N-O 3.13Å; L350-A364 PolarHBondContact O-N 3.19Å; L350-A364 VanDerWaalsContact O-O 3.14Å |
| 365 | F | 97.1 | Very high | 88.2 | Confident | 16 Ų | 16 | 39 Ų | 39 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 146.3 | 176.7 | -64 | -69.1 | 0 | 0 | 0 | 112.5 | L48 L49 K347 W348 L349 Y501 | L48-F365 HydrophobicContact CB-CE2 4.29Å; L49-F365 HydrophobicContact CD2-CE1 4.36Å; L49-F365 HydrophobicContact CD2-CE2 4.11Å; L49-F365 HydrophobicContact CD2-CZ 3.75Å; K347-F365 HydrophobicContact CD-CD1 4.36Å; K347-F365 HydrophobicContact CD-CG 4.44Å; K347-F365 VanDerWaalsContact CE-CD1 3.44Å; K347-F365 HydrophobicContact CG-CB 4.3Å; K347-F365 HydrophobicContact CG-CD1 4.14Å; K347-F365 HydrophobicContact CG-CG 4.39Å; W348-F365 WeakPolarHBondContact O-CA 3.11Å; L349-F365 HydrophobicContact CD1-CD1 4.23Å; L349-F365 HydrophobicContact CD1-CE1 3.98Å; F365-Y501 AromaticContact CE1-CD2 3.72Å; F365-Y501 HydrophobicContact CE1-CD2 3.72Å; F365-Y501 HydrophobicContact CE1-CE2 4.22Å; F365-Y501 HydrophobicContact CE1-CG 4.36Å |
| 366 | Y | 96.5 | Very high | 85.9 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 144.2 | 163.3 | 70.5 | -84.2 | 0 | 0 | 0 | 110.6 | I287 L289 W297 F313 H314 N316 W348 L350 V368 | I287-Y366 CarbonylContact O-C 3.57Å; I287-Y366 WeakPolarHBondContact O-CA 3.39Å; L289-Y366 HydrophobicContact CD1-CD2 3.75Å; L289-Y366 HydrophobicContact CD1-CE2 4.34Å; W297-Y366 HydrophobicContact CH2-CG 4.48Å; F313-Y366 HydrophobicContact CD1-CE1 4.34Å; H314-Y366 PolarHBondContact O-OH 3.47Å; N316-Y366 PolarHBondContact ND2-OH 2.85Å; W348-Y366 HydrophobicContact CB-CD1 3.92Å; W348-Y366 HydrophobicContact CB-CD2 4.13Å; W348-Y366 HydrophobicContact CB-CE1 3.4Å; W348-Y366 VanDerWaalsContact CB-CE1 3.4Å; W348-Y366 HydrophobicContact CB-CE2 3.66Å; W348-Y366 HydrophobicContact CB-CG 4.26Å; W348-Y366 AromaticContact CD1-CE2 3.87Å; W348-Y366 HydrophobicContact CG-CE1 4.45Å; W348-Y366 AromaticContact CG-CE2 3.99Å; W348-Y366 HydrophobicContact CG-CE2 3.99Å; W348-Y366 AromaticContact CG-CZ 3.86Å; W348-Y366 PolarHBondContact N-O 2.83Å; W348-Y366 PolarHBondContact O-N 3.5Å; L350-Y366 HydrophobicContact CB-CD1 4.2Å; L350-Y366 HydrophobicContact CB-CE1 4.5Å; Y366-V368 HydrophobicContact CD2-CG2 4.01Å; Y366-V368 HydrophobicContact CE2-CG2 3.85Å |
| 367 | E | 95.7 | Very high | 83.7 | Confident | 78 Ų | 78 | 44.2 Ų | 44.2 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127 | -175.8 | -171.3 | -177.5 | -176.3 | 0 | 0 | 110.7 | I287 K288 L289 M369 | I287-E367 PolarHBondContact O-N 2.85Å; K288-E367 HydrophobicContact CG-CB 4.43Å; L289-E367 PolarHBondContact N-O 3.12Å; E367-M369 HydrophobicContact CG-CG 4.09Å |
| 368 | V | 95.3 | Very high | 81.2 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 112.3 | 176.6 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | L289 Q291 P342 M344 R345 G346 Y366 | L289-V368 HydrophobicContact CB-CG2 4.44Å; Q291-V368 HydrophobicContact CB-CG1 3.98Å; Q291-V368 HydrophobicContact CG-CG1 4.39Å; P342-V368 HydrophobicContact CB-CB 4.43Å; P342-V368 HydrophobicContact CB-CG1 3.69Å; P342-V368 HydrophobicContact CB-CG2 3.78Å; P342-V368 HydrophobicContact CG-CG2 4.49Å; M344-V368 WeakPolarHBondContact O-CB 3.31Å; M344-V368 WeakPolarHBondContact O-CG1 3.4Å; R345-V368 WeakPolarHBondContact CA-O 3.48Å; G346-V368 PolarHBondContact N-O 2.99Å; G346-V368 PolarHBondContact O-N 2.91Å; Y366-V368 HydrophobicContact CD2-CG2 4.01Å; Y366-V368 HydrophobicContact CE2-CG2 3.85Å |
| 369 | M | 93.5 | Very high | 79.3 | Confident | 65 Ų | 65 | 53.5 Ų | 53.5 | 32% | 0.32 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 160.5 | -175.1 | -58.2 | -177.9 | -58.9 | 0 | 0 | 112.7 | K288 L289 Q291 E367 C371 | K288-M369 HydrophobicContact CB-CE 3.78Å; K288-M369 HydrophobicContact CD-CE 4.08Å; K288-M369 HydrophobicContact CD-SD 4.14Å; K288-M369 HydrophobicContact CG-CE 4.2Å; K288-M369 HydrophobicContact CG-SD 4.42Å; L289-M369 PolarHBondContact O-N 2.85Å; Q291-M369 VanDerWaalsContact CB-O 3.32Å; Q291-M369 WeakPolarHBondContact CB-O 3.32Å; Q291-M369 PolarHBondContact N-O 2.86Å; E367-M369 HydrophobicContact CG-CG 4.09Å; M369-C371 PolarHBondContact O-N 3.23Å |
| 370 | S | 90.1 | Very high | 77.6 | Confident | 61 Ų | 61 | 55.3 Ų | 55.3 | 43% | 0.427 | 35% | 0.354 | S | S | . | . | trans | -81.3 | 107.1 | 169.7 | -169.5 | 0 | 0 | 0 | 0 | 110.4 | R345 D372 | R345-S370 VanDerWaalsContact CZ-OG 3.28Å; R345-S370 PolarHBondContact NH2-OG 2.6Å; S370-D372 PolarHBondContact OG-O 3.05Å | ||
| 371 | C | 85.7 | Confident | 76.3 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 33% | 0.331 | 39% | 0.386 | S | S | . | . | trans | -99.6 | -20.5 | 178 | -60.7 | 0 | 0 | 0 | 0 | 114 | C290 M369 | C290-C371 WeakPolarHBondContact CA-SG 3.45Å; C290-C371 HydrophobicContact CB-CB 3.56Å; C290-C371 WeakPolarHBondContact CB-SG 3.38Å; C290-C371 WeakPolarHBondContact SG-CB 3.06Å; C290-C371 CovalentContact SG-SG 2.03Å; C290-C371 PolarHBondContact SG-SG 3.3Å; M369-C371 PolarHBondContact O-N 3.23Å | ||
| 372 | D | 78.8 | Confident | 75.7 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | trans | -125.7 | 158.9 | -178.3 | -64.2 | -50.9 | 0 | 0 | 0 | 111.8 | R293 S370 | R293-D372 IonicContact CZ-OD1 3.33Å; R293-D372 IonicContact CZ-OD2 2.82Å; R293-D372 IonicContact NE-OD2 3.56Å; R293-D372 PolarHBondContact NE-OD2 3.19Å; R293-D372 VanDerWaalsContact NH2-CG 3.25Å; R293-D372 IonicContact NH2-OD1 2.92Å; R293-D372 PolarHBondContact NH2-OD1 3.38Å; R293-D372 IonicContact NH2-OD2 3.94Å; R293-D372 PolarHBondContact NH2-OD2 2.8Å; S370-D372 PolarHBondContact OG-O 3.05Å | ||
| 373 | S | 57.4 | Low | 75.3 | Confident | 135 Ų | 135 | 65.9 Ų | 65.9 | 94% | 0.944 | 43% | 0.425 | S | S | * | . | trans | -91.9 | -2.9 | 174 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | S375 | S373-S375 PolarHBondContact O-N 2.85Š| ||
| 374 | S | 53.5 | Low | 75.2 | Confident | 84 Ų | 84 | 68.2 Ų | 68.2 | 59% | 0.587 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 119.3 | -178.8 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | G376 | S374-G376 PolarHBondContact O-N 2.84Š|
| 375 | S | 46.7 | Very low | 75.1 | Confident | 116 Ų | 116 | 71 Ų | 71 | 81% | 0.811 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -56 | 117.7 | 169.8 | 53.4 | 0 | 0 | 0 | 0 | 110.2 | S373 | S373-S375 PolarHBondContact O-N 2.85Š|
| 376 | G | 48.5 | Very low | 75 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 36% | 0.361 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 152.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | S374 T378 | S374-G376 PolarHBondContact O-N 2.84Å; G376-T378 PolarHBondContact O-N 2.89Å |
| 377 | S | 47.8 | Very low | 75.1 | Confident | 112 Ų | 112 | 74.1 Ų | 74.1 | 78% | 0.783 | 47% | 0.468 | S | S | * | . | trans | -43.2 | 120.4 | 174.5 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | T379 | S377-T379 PolarHBondContact O-N 2.95Š| ||
| 378 | T | 45.2 | Very low | 75.2 | Confident | 134 Ų | 134 | 72.6 Ų | 72.6 | 82% | 0.822 | 46% | 0.459 | S | S | * | . | trans | -67.9 | 95.4 | 168.7 | 46.7 | 0 | 0 | 0 | 0 | 108.5 | G376 | G376-T378 PolarHBondContact O-N 2.89Š| ||
| 379 | T | 55.1 | Low | 75.3 | Confident | 76 Ų | 76 | 72.4 Ų | 72.4 | 47% | 0.466 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 137.2 | 163.7 | 31.4 | 0 | 0 | 0 | 0 | 108.8 | S377 | S377-T379 PolarHBondContact O-N 2.95Š|
| 380 | T | 58.1 | Low | 75.5 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 55% | 0.552 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 124.7 | 174.7 | -32.3 | 0 | 0 | 0 | 0 | 107.5 | G382 | T380-G382 PolarHBondContact O-N 2.87Š|
| 381 | P | 69.7 | Low | 75.9 | Confident | 111 Ų | 111 | 66.4 Ų | 66.4 | 72% | 0.721 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 129.3 | -177.6 | 20.9 | -29.9 | 0 | 0 | 0 | 110.1 | ||
| 382 | G | 81.3 | Confident | 76.5 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 27% | 0.268 | 41% | 0.413 | S | S | . | . | trans | -78.2 | -162.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | T380 G468 D469 | T380-G382 PolarHBondContact O-N 2.87Å; G382-G468 VanDerWaalsContact CA-O 3.23Å; G382-G468 WeakPolarHBondContact CA-O 3.31Å; G382-G468 PolarHBondContact N-O 2.71Å; G382-D469 WeakPolarHBondContact CA-OD1 3.22Å | ||
| 383 | V | 91.3 | Very high | 77.4 | Confident | 91 Ų | 91 | 65.4 Ų | 65.4 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | trans | -85.8 | 142.3 | -179.9 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | D469 I470 | V383-D469 PolarHBondContact N-OD1 3.03Å; V383-D469 WeakPolarHBondContact O-CA 3.34Å; V383-D469 WeakPolarHBondContact O-CB 3.43Å; V383-I470 PolarHBondContact O-N 2.97Å | ||
| 384 | V | 94.8 | Very high | 79.3 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 123.2 | 167.8 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | I470 R472 | V384-I470 CarbonylContact C-O 3.6Å; V384-I470 WeakPolarHBondContact CA-O 3.47Å; V384-I470 HydrophobicContact CG2-CB 4.32Å; V384-I470 HydrophobicContact CG2-CD1 4.5Å; V384-R472 HydrophobicContact CG1-CB 4.37Å |
| 385 | R | 94.4 | Very high | 81.3 | Confident | 60 Ų | 60 | 62.7 Ų | 62.7 | 23% | 0.226 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.1 | 179.9 | -61 | -173.9 | -175.6 | -93.9 | -2.1 | 109.8 | F387 R464 D469 I470 R472 | R385-F387 HydrophobicContact CB-CE2 3.77Å; R385-F387 HydrophobicContact CB-CZ 4.33Å; R385-R464 WeakPolarHBondContact CD-O 3.26Å; R385-D469 IonicContact CZ-OD2 3.39Å; R385-D469 IonicContact NE-OD2 2.74Å; R385-D469 PolarHBondContact NE-OD2 3.33Å; R385-D469 IonicContact NH2-OD2 3.3Å; R385-D469 PolarHBondContact NH2-OD2 3.49Å; R385-I470 PolarHBondContact N-O 3.06Å; R385-R472 PolarHBondContact O-N 3.46Å |
| 386 | D | 96.1 | Very high | 83.8 | Confident | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.332 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 129.2 | 179.8 | -71.7 | -54.5 | 0 | 0 | 0 | 111.3 | Y388 R472 | D386-Y388 HydrophobicContact CB-CE2 4.21Å; D386-R472 WeakPolarHBondContact CA-O 3.49Å; D386-R472 IonicContact OD1-CZ 3.08Å; D386-R472 IonicContact OD1-NE 2.65Å; D386-R472 PolarHBondContact OD1-NE 2.98Å; D386-R472 IonicContact OD1-NH2 2.74Å; D386-R472 PolarHBondContact OD1-NH2 3.45Å; D386-R472 IonicContact OD2-CZ 3.98Å; D386-R472 IonicContact OD2-NH2 2.97Å; D386-R472 PolarHBondContact OD2-NH2 3.13Å |
| 387 | F | 97.4 | Very high | 86.1 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 10% | 0.096 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.5 | 172.6 | -61.2 | -84.7 | 0 | 0 | 0 | 109.8 | R385 L463 L471 R472 V473 T474 | R385-F387 HydrophobicContact CB-CE2 3.77Å; R385-F387 HydrophobicContact CB-CZ 4.33Å; F387-L463 HydrophobicContact CB-CD2 3.92Å; F387-L463 HydrophobicContact CD1-CD2 3.42Å; F387-L463 VanDerWaalsContact CD1-CD2 3.42Å; F387-L463 HydrophobicContact CD2-CD2 3.91Å; F387-L463 HydrophobicContact CE1-CD2 3.81Å; F387-L463 HydrophobicContact CE2-CD2 4.26Å; F387-L463 HydrophobicContact CG-CD2 3.48Å; F387-L463 VanDerWaalsContact CG-CD2 3.48Å; F387-L463 HydrophobicContact CZ-CD2 4.22Å; F387-L471 HydrophobicContact CE2-CD2 4.18Å; F387-L471 HydrophobicContact CE2-CG 4.3Å; F387-R472 PolarHBondContact N-O 3.19Å; F387-V473 HydrophobicContact CB-CG1 4.45Å; F387-V473 HydrophobicContact CB-CG2 4.32Å; F387-V473 HydrophobicContact CD2-CG2 4.35Å; F387-V473 WeakPolarHBondContact O-CA 3.44Å; F387-T474 PolarHBondContact O-N 3.26Å |
| 388 | Y | 98.3 | Very high | 88.5 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 18% | 0.18 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 106.5 | 178.7 | -53.5 | -84.4 | 0 | 0 | 0 | 107.9 | D386 E440 Y441 D443 N444 T474 | D386-Y388 HydrophobicContact CB-CE2 4.21Å; Y388-E440 CarbonylContact O-C 3.56Å; Y388-E440 WeakPolarHBondContact O-CA 3.09Å; Y388-Y441 PolarHBondContact O-N 2.74Å; Y388-D443 VanDerWaalsContact CD2-CA 3.43Å; Y388-N444 HydrophobicContact CD1-CB 3.88Å; Y388-N444 VanDerWaalsContact CD1-N 3.26Å; Y388-N444 HydrophobicContact CE1-CB 3.7Å; Y388-T474 WeakPolarHBondContact CA-O 3.44Å; Y388-T474 HydrophobicContact CD1-CG2 4.2Å |
| 389 | L | 98.1 | Very high | 91 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.7 | -174.8 | -59.6 | -172 | 0 | 0 | 0 | 110.7 | K439 E440 F446 P461 L463 V473 T474 F475 Q476 I485 Y540 | L389-K439 CarbonylContact C-O 3.48Å; L389-K439 WeakPolarHBondContact CA-O 3.42Å; L389-E440 HydrophobicContact CD2-CB 4.23Å; L389-E440 HydrophobicContact CD2-CG 3.98Å; L389-F446 VanDerWaalsContact O-CE1 3.28Å; L389-F446 WeakPolarHBondContact O-CE1 3.24Å; L389-P461 HydrophobicContact CD2-CG 3.28Å; L389-L463 HydrophobicContact CD1-CD1 4.43Å; L389-L463 HydrophobicContact CD1-CD2 4.26Å; L389-V473 HydrophobicContact CB-CG1 4.45Å; L389-V473 HydrophobicContact CD1-CG1 3.78Å; L389-V473 HydrophobicContact CG-CG1 3.96Å; L389-T474 PolarHBondContact N-O 2.65Å; L389-F475 HydrophobicContact CB-CD2 4.45Å; L389-F475 CarbonylContact O-C 3.53Å; L389-F475 VanDerWaalsContact O-CA 3.28Å; L389-F475 WeakPolarHBondContact O-CA 3.44Å; L389-Q476 PolarHBondContact O-N 3.22Å; L389-I485 HydrophobicContact CB-CD1 4.16Å; L389-I485 HydrophobicContact CD1-CD1 3.78Å; L389-Y540 HydrophobicContact CD1-CE2 4.08Å |
| 390 | A | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E392 Y438 K439 Y441 F446 Q476 K478 | A390-E392 HydrophobicContact CB-CG 4.49Å; A390-Y438 WeakPolarHBondContact O-CA 3.45Å; A390-K439 PolarHBondContact N-O 3.24Å; A390-K439 PolarHBondContact O-N 3.22Å; A390-Y441 HydrophobicContact CB-CD2 4.22Å; A390-Y441 HydrophobicContact CB-CE2 3.78Å; A390-F446 HydrophobicContact CB-CD1 4.16Å; A390-F446 HydrophobicContact CB-CE1 4.43Å; A390-Q476 WeakPolarHBondContact CA-O 3.5Å; A390-Q476 HydrophobicContact CB-CB 4.48Å; A390-Q476 VanDerWaalsContact CB-O 3.31Å; A390-Q476 WeakPolarHBondContact CB-O 3.22Å; A390-K478 HydrophobicContact CB-CD 4.07Å; A390-K478 HydrophobicContact CB-CG 4.21Å |
| 391 | A | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 124.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | V436 I437 F475 Q476 K478 A479 Y483 L554 | A391-V436 HydrophobicContact CB-CG2 4.13Å; A391-I437 WeakPolarHBondContact CA-O 3.38Å; A391-F475 HydrophobicContact CB-CE2 3.7Å; A391-F475 HydrophobicContact CB-CZ 3.73Å; A391-Q476 PolarHBondContact N-O 3.3Å; A391-K478 CarbonylContact O-C 3.38Å; A391-K478 WeakPolarHBondContact O-CA 3.38Å; A391-K478 WeakPolarHBondContact O-CB 3.28Å; A391-K478 PolarHBondContact O-N 3.08Å; A391-A479 PolarHBondContact O-N 3.39Å; A391-Y483 HydrophobicContact CB-CD2 4.27Å; A391-L554 HydrophobicContact CB-CD2 4.07Å |
| 392 | E | 97.1 | Very high | 96.1 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 136.2 | -177.3 | -74.6 | 177 | -139.6 | 0 | 0 | 111.7 | A390 V436 I437 K439 Y441 K478 | A390-E392 HydrophobicContact CB-CG 4.49Å; E392-V436 WeakPolarHBondContact O-CA 3.31Å; E392-I437 PolarHBondContact N-O 3.03Å; E392-I437 PolarHBondContact O-N 2.98Å; E392-K439 HydrophobicContact CB-CD 4.47Å; E392-K439 WeakPolarHBondContact OE2-CD 3.33Å; E392-K439 IonicContact OE2-NZ 2.64Å; E392-K439 PolarHBondContact OE2-NZ 2.81Å; E392-Y441 VanDerWaalsContact OE1-CE2 3.28Å; E392-Y441 WeakPolarHBondContact OE1-CE2 3.46Å; E392-Y441 VanDerWaalsContact OE1-CZ 3.27Å; E392-Y441 PolarHBondContact OE1-OH 3.04Å; E392-K478 HydrophobicContact CG-CB 3.94Å; E392-K478 HydrophobicContact CG-CD 4.03Å |
| 393 | E | 97.7 | Very high | 96.8 | Very high | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 138.1 | 173.1 | -70.6 | 160.9 | -145.5 | 0 | 0 | 111 | K435 A479 N480 Y593 | E393-K435 CarbonylContact C-O 3.55Å; E393-K435 VanDerWaalsContact CA-O 3.24Å; E393-K435 WeakPolarHBondContact CA-O 3.29Å; E393-A479 HydrophobicContact CG-CB 4.16Å; E393-A479 WeakPolarHBondContact OE1-CA 3.42Å; E393-N480 VanDerWaalsContact OE1-CB 3.24Å; E393-N480 WeakPolarHBondContact OE1-CB 3.18Å; E393-N480 PolarHBondContact OE1-N 2.77Å; E393-N480 PolarHBondContact OE1-ND2 2.75Å; E393-N480 PolarHBondContact OE2-ND2 3.14Å; E393-Y593 HydrophobicContact CG-CE1 3.98Å |
| 394 | V | 96.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148 | 179.4 | -63.9 | 0 | 0 | 0 | 0 | 109.9 | V434 K435 I437 | V394-V434 WeakPolarHBondContact O-CA 3.3Å; V394-K435 HydrophobicContact CG2-CB 4.3Å; V394-K435 PolarHBondContact N-O 3.02Å; V394-K435 PolarHBondContact O-N 2.84Å; V394-I437 HydrophobicContact CG1-CD1 3.88Å; V394-I437 HydrophobicContact CG1-CG1 3.9Å; V394-I437 HydrophobicContact CG2-CD1 4.16Å; V394-I437 HydrophobicContact CG2-CG1 4.06Å; V394-I437 HydrophobicContact CG2-CG2 3.87Å |
| 395 | Q | 97.4 | Very high | 96.9 | Very high | 134 Ų | 134 | 47.2 Ų | 47.2 | 63% | 0.626 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 111.8 | 163.8 | -172.3 | 176.6 | -7.7 | 0 | 0 | 108.1 | T432 Y433 F601 | Q395-T432 HydrophobicContact CG-CG2 3.52Å; Q395-Y433 CarbonylContact C-O 3.46Å; Q395-F601 HydrophobicContact CG-CZ 4.25Å |
| 396 | W | 98.1 | Very high | 96.8 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 131.3 | -176.2 | -170.4 | -103.1 | 0 | 0 | 0 | 110.9 | Y398 T432 Y433 K435 L458 G624 L625 | W396-Y398 AromaticContact CD1-CD2 3.96Å; W396-Y398 AromaticContact CD1-CE2 3.87Å; W396-T432 CarbonylContact O-C 3.58Å; W396-T432 VanDerWaalsContact O-CA 3.31Å; W396-T432 WeakPolarHBondContact O-CA 3.45Å; W396-Y433 PolarHBondContact N-O 3.18Å; W396-Y433 PolarHBondContact O-N 2.87Å; W396-K435 HydrophobicContact CB-CB 4.16Å; W396-K435 HydrophobicContact CB-CD 3.55Å; W396-K435 HydrophobicContact CB-CG 3.8Å; W396-K435 HydrophobicContact CG-CD 3.73Å; W396-K435 HydrophobicContact CG-CG 4.5Å; W396-L458 HydrophobicContact CD2-CB 4.47Å; W396-L458 HydrophobicContact CD2-CD1 4.36Å; W396-L458 HydrophobicContact CG-CD1 4.5Å; W396-L458 HydrophobicContact CH2-CB 4Å; W396-L458 HydrophobicContact CZ2-CB 3.77Å; W396-L458 HydrophobicContact CZ3-CB 4.39Å; W396-G624 PolarHBondContact NE1-O 3.14Å; W396-L625 HydrophobicContact CZ2-CD2 4.01Å; W396-L625 HydrophobicContact CZ2-CG 4.05Å |
| 397 | N | 97.8 | Very high | 96.4 | Very high | 47 Ų | 47 | 49.6 Ų | 49.6 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 117.6 | 174.6 | -179.6 | -21.2 | 0 | 0 | 0 | 108.7 | A399 P400 G431 L625 | N397-A399 PolarHBondContact O-N 2.81Å; N397-A399 PolarHBondContact OD1-N 3.35Å; N397-A399 PolarHBondContact OD1-O 2.98Å; N397-P400 HydrophobicContact CB-CG 4.38Å; N397-P400 WeakPolarHBondContact O-CD 3.38Å; N397-G431 WeakPolarHBondContact CA-O 3.35Å; N397-G431 PolarHBondContact OD1-O 3.29Å; N397-L625 WeakPolarHBondContact O-CD2 3.09Å |
| 398 | Y | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -68.2 | -20.6 | -177.1 | -77 | -89.8 | 0 | 0 | 0 | 113.7 | W396 G431 Y433 K435 M586 E588 M619 A621 G624 L625 M626 | W396-Y398 AromaticContact CD1-CD2 3.96Å; W396-Y398 AromaticContact CD1-CE2 3.87Å; Y398-G431 PolarHBondContact N-O 2.77Å; Y398-Y433 AromaticContact CD2-CD2 3.85Å; Y398-Y433 HydrophobicContact CD2-CD2 3.85Å; Y398-Y433 HydrophobicContact CD2-CE2 4.18Å; Y398-Y433 AromaticContact CE2-CD2 3.58Å; Y398-Y433 HydrophobicContact CE2-CD2 3.58Å; Y398-Y433 HydrophobicContact CE2-CE2 4.08Å; Y398-Y433 HydrophobicContact CE2-CG 4.38Å; Y398-K435 PolarHBondContact OH-NZ 2.8Å; Y398-M586 HydrophobicContact CE1-CB 4.31Å; Y398-M586 HydrophobicContact CE1-SD 3.79Å; Y398-M586 WeakPolarHBondContact OH-CB 3.42Å; Y398-E588 WeakPolarHBondContact CE2-OE1 3.3Å; Y398-E588 PolarHBondContact OH-OE1 3.3Å; Y398-M619 HydrophobicContact CD1-CB 3.78Å; Y398-M619 HydrophobicContact CD1-CE 4.25Å; Y398-M619 HydrophobicContact CD1-CG 4.34Å; Y398-M619 HydrophobicContact CD2-CB 4.34Å; Y398-M619 HydrophobicContact CD2-CE 3.57Å; Y398-M619 HydrophobicContact CD2-CG 4.01Å; Y398-M619 HydrophobicContact CE1-CB 3.45Å; Y398-M619 VanDerWaalsContact CE1-CB 3.45Å; Y398-M619 HydrophobicContact CE1-CG 4.1Å; Y398-M619 HydrophobicContact CE2-CB 4.04Å; Y398-M619 HydrophobicContact CE2-CE 4.27Å; Y398-M619 HydrophobicContact CE2-CG 3.72Å; Y398-M619 HydrophobicContact CG-CB 4.23Å; Y398-M619 HydrophobicContact CG-CE 3.56Å; Y398-M619 HydrophobicContact CG-CG 4.31Å; Y398-A621 HydrophobicContact CD1-CB 4.01Å; Y398-A621 HydrophobicContact CE1-CB 4.02Å; Y398-G624 WeakPolarHBondContact CD1-O 3.48Å; Y398-L625 CarbonylContact O-C 3.55Å; Y398-L625 WeakPolarHBondContact O-CA 3.43Å; Y398-L625 WeakPolarHBondContact O-CD2 3.37Å; Y398-M626 HydrophobicContact CD1-CG 4.3Å; Y398-M626 HydrophobicContact CD1-SD 4.05Å; Y398-M626 HydrophobicContact CG-SD 4.24Å; Y398-M626 PolarHBondContact O-N 3.38Å |
| 399 | A | 97.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | trans | -145.2 | 81.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N397 S401 E402 L411 F422 N629 | N397-A399 PolarHBondContact O-N 2.81Å; N397-A399 PolarHBondContact OD1-N 3.35Å; N397-A399 PolarHBondContact OD1-O 2.98Å; A399-S401 PolarHBondContact O-N 3Å; A399-E402 PolarHBondContact O-N 3.21Å; A399-L411 HydrophobicContact CB-CD1 3.3Å; A399-F422 HydrophobicContact CB-CD1 4.27Å; A399-F422 HydrophobicContact CB-CE1 3.38Å; A399-F422 HydrophobicContact CB-CZ 3.61Å; A399-N629 WeakPolarHBondContact CB-ND2 3.1Å | ||
| 400 | P | 96.8 | Very high | 95.7 | Very high | 80 Ų | 80 | 56 Ų | 56 | 52% | 0.519 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -17.8 | -175.8 | -26.3 | 35.6 | 0 | 0 | 0 | 115.4 | N397 L625 | N397-P400 HydrophobicContact CB-CG 4.38Å; N397-P400 WeakPolarHBondContact O-CD 3.38Å; P400-L625 HydrophobicContact CG-CD2 4.23Å |
| 401 | S | 96.4 | Very high | 95.6 | Very high | 43 Ų | 43 | 56 Ų | 56 | 30% | 0.301 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -9.1 | 176.1 | 73.2 | 0 | 0 | 0 | 0 | 114.5 | A399 K403 N629 | A399-S401 PolarHBondContact O-N 3Å; S401-K403 PolarHBondContact O-N 2.94Å; S401-K403 PolarHBondContact OG-N 3.09Å; S401-K403 PolarHBondContact OG-O 2.96Å; S401-K403 VanDerWaalsContact OG-O 3.11Å; S401-N629 WeakPolarHBondContact CB-OD1 3.08Å; S401-N629 PolarHBondContact N-OD1 2.89Å; S401-N629 PolarHBondContact OG-OD1 3.37Å |
| 402 | E | 95.3 | Very high | 95.3 | Very high | 143 Ų | 143 | 59.7 Ų | 59.7 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 57.7 | 13.6 | -171.7 | -57.6 | 174.4 | -177.6 | 0 | 0 | 113.6 | A399 L411 | A399-E402 PolarHBondContact O-N 3.21Å; E402-L411 PolarHBondContact O-N 2.77Å |
| 403 | K | 95.9 | Very high | 95.1 | Very high | 102 Ų | 102 | 62 Ų | 62 | 44% | 0.443 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.2 | -175.2 | -68.3 | -177.7 | -177.2 | -175.4 | 0 | 111.5 | S401 L405 T409 N629 | S401-K403 PolarHBondContact O-N 2.94Å; S401-K403 PolarHBondContact OG-N 3.09Å; S401-K403 PolarHBondContact OG-O 2.96Å; S401-K403 VanDerWaalsContact OG-O 3.11Å; K403-L405 HydrophobicContact CB-CD2 4.29Å; K403-L405 PolarHBondContact O-N 3.26Å; K403-T409 CarbonylContact C-O 3.08Å; K403-T409 VanDerWaalsContact CA-O 3.28Å; K403-T409 WeakPolarHBondContact CA-O 3.46Å; K403-T409 WeakPolarHBondContact CB-O 3.44Å; K403-N629 PolarHBondContact O-ND2 2.85Å; K403-N629 VanDerWaalsContact O-ND2 3.12Å |
| 404 | N | 94.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 107.3 | 159.4 | 179.4 | -26.7 | 0 | 0 | 0 | 107.8 | I406 K407 N408 T409 L411 Y627 | N404-I406 VanDerWaalsContact C-N 3.26Å; N404-I406 PolarHBondContact O-N 3.45Å; N404-I406 WeakPolarHBondContact OD1-CA 3.49Å; N404-I406 WeakPolarHBondContact OD1-CB 3.05Å; N404-I406 PolarHBondContact OD1-N 3.44Å; N404-K407 PolarHBondContact OD1-N 3.2Å; N404-N408 WeakPolarHBondContact O-CA 3.33Å; N404-N408 PolarHBondContact O-N 3.1Å; N404-T409 PolarHBondContact N-O 2.66Å; N404-T409 PolarHBondContact O-N 2.82Å; N404-L411 HydrophobicContact CB-CD2 3.9Å; N404-Y627 HydrophobicContact CB-CD1 4.4Å; N404-Y627 WeakPolarHBondContact ND2-CD1 3.3Å |
| 405 | L | 95.2 | Very high | 93.9 | Very high | 77 Ų | 77 | 69.1 Ų | 69.1 | 40% | 0.403 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -14.4 | -176.1 | -65.2 | -177.8 | 0 | 0 | 0 | 113.3 | K403 Y627 | K403-L405 HydrophobicContact CB-CD2 4.29Å; K403-L405 PolarHBondContact O-N 3.26Å; L405-Y627 PolarHBondContact N-O 3.02Å |
| 406 | I | 91.4 | Very high | 93.5 | Very high | 46 Ų | 46 | 67.6 Ų | 67.6 | 24% | 0.236 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -48 | 177.4 | -59.9 | 162 | 0 | 0 | 0 | 109.8 | N404 R709 L711 | N404-I406 VanDerWaalsContact C-N 3.26Å; N404-I406 PolarHBondContact O-N 3.45Å; N404-I406 WeakPolarHBondContact OD1-CA 3.49Å; N404-I406 WeakPolarHBondContact OD1-CB 3.05Å; N404-I406 PolarHBondContact OD1-N 3.44Å; I406-R709 HydrophobicContact CD1-CB 3.83Å; I406-R709 HydrophobicContact CD1-CG 3.87Å; I406-L711 HydrophobicContact CG1-CD1 4.21Å; I406-L711 HydrophobicContact CG1-CD2 4.17Å; I406-L711 HydrophobicContact CG1-CG 4.03Å |
| 407 | K | 87.9 | Confident | 93.1 | Very high | 126 Ų | 126 | 68.2 Ų | 68.2 | 55% | 0.548 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -10.2 | 178.2 | -65.6 | -174.6 | 178.7 | 177.8 | 0 | 113.8 | N404 T409 | N404-K407 PolarHBondContact OD1-N 3.2Å; K407-T409 HydrophobicContact CB-CG2 4.26Å |
| 408 | N | 90.8 | Very high | 93 | Very high | 121 Ų | 121 | 66.2 Ų | 66.2 | 65% | 0.647 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 46.3 | -174.2 | -170 | 40.2 | 0 | 0 | 0 | 113.2 | N404 | N404-N408 WeakPolarHBondContact O-CA 3.33Å; N404-N408 PolarHBondContact O-N 3.1Å |
| 409 | T | 93.1 | Very high | 92.8 | Very high | 31 Ų | 31 | 68.1 Ų | 68.1 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 162.1 | 179.9 | 55.4 | 0 | 0 | 0 | 0 | 111.2 | K403 N404 K407 | K403-T409 CarbonylContact C-O 3.08Å; K403-T409 VanDerWaalsContact CA-O 3.28Å; K403-T409 WeakPolarHBondContact CA-O 3.46Å; K403-T409 WeakPolarHBondContact CB-O 3.44Å; N404-T409 PolarHBondContact N-O 2.66Å; N404-T409 PolarHBondContact O-N 2.82Å; K407-T409 HydrophobicContact CB-CG2 4.26Å |
| 410 | S | 94.9 | Very high | 92.7 | Very high | 50 Ų | 50 | 71.3 Ų | 71.3 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 146.5 | 172.3 | -167.6 | 0 | 0 | 0 | 0 | 110.3 | T412 | S410-T412 PolarHBondContact OG-OG1 2.82Å |
| 411 | L | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -28.2 | 175.1 | -67 | 170.3 | 0 | 0 | 0 | 112.5 | A399 E402 N404 S418 E419 F422 Y627 | A399-L411 HydrophobicContact CB-CD1 3.3Å; E402-L411 PolarHBondContact O-N 2.77Å; N404-L411 HydrophobicContact CB-CD2 3.9Å; L411-S418 WeakPolarHBondContact CA-OG 3.39Å; L411-S418 CarbonylContact O-C 3.58Å; L411-S418 WeakPolarHBondContact O-CB 3.07Å; L411-S418 PolarHBondContact O-OG 3.27Å; L411-E419 WeakPolarHBondContact O-CA 3.46Å; L411-E419 PolarHBondContact O-N 3.35Å; L411-F422 HydrophobicContact CB-CB 3.83Å; L411-F422 HydrophobicContact CB-CD1 4.49Å; L411-F422 HydrophobicContact CB-CD2 4.16Å; L411-F422 HydrophobicContact CB-CG 3.89Å; L411-F422 HydrophobicContact CD1-CD1 3.79Å; L411-F422 HydrophobicContact CD1-CD2 4.09Å; L411-F422 HydrophobicContact CD1-CE1 3.92Å; L411-F422 HydrophobicContact CD1-CE2 4.21Å; L411-F422 HydrophobicContact CD1-CG 3.9Å; L411-F422 HydrophobicContact CD1-CZ 4.12Å; L411-F422 HydrophobicContact CD2-CD2 4.42Å; L411-F422 HydrophobicContact CG-CD2 4.45Å; L411-F422 HydrophobicContact CG-CG 4.41Å; L411-Y627 HydrophobicContact CD2-CD1 4.45Å; L411-Y627 HydrophobicContact CD2-CD2 3.55Å; L411-Y627 HydrophobicContact CD2-CE2 4.14Å; L411-Y627 HydrophobicContact CD2-CG 3.73Å |
| 412 | T | 93.9 | Very high | 92.7 | Very high | 77 Ų | 77 | 66.9 Ų | 66.9 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 24.4 | -178.2 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | S410 F422 | S410-T412 PolarHBondContact OG-OG1 2.82Å; T412-F422 HydrophobicContact CG2-CB 4.29Å |
| 413 | E | 91.8 | Very high | 92.6 | Very high | 76 Ų | 76 | 60.7 Ų | 60.7 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | trans | -75.2 | 127.7 | 175.8 | -177.3 | -178.9 | 135.2 | 0 | 0 | 109.5 | G415 R416 | E413-G415 PolarHBondContact O-N 2.91Å; E413-R416 HydrophobicContact CB-CG 3.97Å; E413-R416 HydrophobicContact CG-CG 4.17Å; E413-R416 WeakPolarHBondContact O-CB 3.13Å; E413-R416 WeakPolarHBondContact O-CG 3.38Å; E413-R416 PolarHBondContact O-N 2.66Å; E413-R416 IonicContact OE1-CZ 3Å; E413-R416 IonicContact OE1-NE 2.88Å; E413-R416 PolarHBondContact OE1-NE 2.85Å; E413-R416 VanDerWaalsContact OE1-NE 3.08Å; E413-R416 IonicContact OE1-NH2 3.37Å; E413-R416 PolarHBondContact OE1-NH2 3.05Å | ||
| 414 | E | 87.3 | Confident | 92.4 | Very high | 175 Ų | 175 | 62.1 Ų | 62.1 | 82% | 0.818 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 132.5 | -174.4 | -167.9 | 179.1 | 173.3 | 0 | 0 | 112.3 | E419 | E414-E419 VanDerWaalsContact CA-OE2 3.26Å; E414-E419 WeakPolarHBondContact CA-OE2 3.34Å |
| 415 | G | 82.5 | Confident | 92 | Very high | 74 Ų | 74 | 66.3 Ų | 66.3 | 76% | 0.763 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 14.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E413 E419 | E413-G415 PolarHBondContact O-N 2.91Å; G415-E419 PolarHBondContact N-OE2 3.06Å |
| 416 | R | 87.9 | Confident | 91.5 | Very high | 102 Ų | 102 | 68.8 Ų | 68.8 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -98.9 | 147.1 | 171.5 | -62.5 | -65.7 | -170.3 | 155.3 | 3.8 | 110.4 | E413 S418 E419 | E413-R416 HydrophobicContact CB-CG 3.97Å; E413-R416 HydrophobicContact CG-CG 4.17Å; E413-R416 WeakPolarHBondContact O-CB 3.13Å; E413-R416 WeakPolarHBondContact O-CG 3.38Å; E413-R416 PolarHBondContact O-N 2.66Å; E413-R416 IonicContact OE1-CZ 3Å; E413-R416 IonicContact OE1-NE 2.88Å; E413-R416 PolarHBondContact OE1-NE 2.85Å; E413-R416 VanDerWaalsContact OE1-NE 3.08Å; E413-R416 IonicContact OE1-NH2 3.37Å; E413-R416 PolarHBondContact OE1-NH2 3.05Å; R416-S418 PolarHBondContact O-N 2.91Å; R416-S418 VanDerWaalsContact O-N 3.13Å; R416-E419 WeakPolarHBondContact O-CB 3.44Å; R416-E419 PolarHBondContact O-N 3.01Å |
| 417 | A | 90.9 | Very high | 91.2 | Very high | 50 Ų | 50 | 66.6 Ų | 66.6 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -54.3 | -34.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E419 V420 F421 | A417-E419 PolarHBondContact O-N 2.95Å; A417-V420 PolarHBondContact O-N 2.92Å; A417-F421 WeakPolarHBondContact O-CD2 3.46Å; A417-F421 WeakPolarHBondContact O-CE2 3.27Å |
| 418 | S | 95 | Very high | 91.5 | Very high | 6 Ų | 6 | 61 Ų | 61 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.7 | -19.1 | 177.7 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | L411 R416 V420 F421 F422 Y627 | L411-S418 WeakPolarHBondContact CA-OG 3.39Å; L411-S418 CarbonylContact O-C 3.58Å; L411-S418 WeakPolarHBondContact O-CB 3.07Å; L411-S418 PolarHBondContact O-OG 3.27Å; R416-S418 PolarHBondContact O-N 2.91Å; R416-S418 VanDerWaalsContact O-N 3.13Å; S418-V420 VanDerWaalsContact C-N 3.3Å; S418-V420 PolarHBondContact O-N 2.97Å; S418-F421 PolarHBondContact O-N 3.08Å; S418-F422 WeakPolarHBondContact O-CD2 3.33Å; S418-F422 PolarHBondContact O-N 3.09Å; S418-Y627 VanDerWaalsContact CA-OH 3.26Å; S418-Y627 WeakPolarHBondContact CA-OH 3.2Å; S418-Y627 PolarHBondContact N-OH 2.95Å |
| 419 | E | 95.1 | Very high | 91.7 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 19% | 0.187 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 179.9 | -174.5 | -178 | -165.9 | 0 | 0 | 110.7 | L411 E414 G415 R416 A417 F421 F422 S423 | L411-E419 WeakPolarHBondContact O-CA 3.46Å; L411-E419 PolarHBondContact O-N 3.35Å; E414-E419 VanDerWaalsContact CA-OE2 3.26Å; E414-E419 WeakPolarHBondContact CA-OE2 3.34Å; G415-E419 PolarHBondContact N-OE2 3.06Å; R416-E419 WeakPolarHBondContact O-CB 3.44Å; R416-E419 PolarHBondContact O-N 3.01Å; A417-E419 PolarHBondContact O-N 2.95Å; E419-F421 PolarHBondContact O-N 3.37Å; E419-F422 PolarHBondContact O-N 2.87Å; E419-S423 WeakPolarHBondContact O-CA 2.94Å; E419-S423 WeakPolarHBondContact O-CB 3.33Å; E419-S423 PolarHBondContact O-N 2.79Å |
| 420 | V | 95.4 | Very high | 91.8 | Very high | 68 Ų | 68 | 54 Ų | 54 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -51.9 | -44.7 | -178.9 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | A417 S418 E615 S616 | A417-V420 PolarHBondContact O-N 2.92Å; S418-V420 VanDerWaalsContact C-N 3.3Å; S418-V420 PolarHBondContact O-N 2.97Å; V420-E615 HydrophobicContact CG1-CG 4.19Å; V420-S616 WeakPolarHBondContact O-CB 3.39Å |
| 421 | F | 96.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -91.8 | -22 | -173.1 | -47.8 | -74.6 | 0 | 0 | 0 | 114.6 | A417 S418 E419 G430 E615 K618 M619 H620 M626 A706 | A417-F421 WeakPolarHBondContact O-CD2 3.46Å; A417-F421 WeakPolarHBondContact O-CE2 3.27Å; S418-F421 PolarHBondContact O-N 3.08Å; E419-F421 PolarHBondContact O-N 3.37Å; F421-G430 CarbonylContact O-C 3.52Å; F421-E615 WeakPolarHBondContact CE1-O 3.42Å; F421-K618 WeakPolarHBondContact CD1-O 3.46Å; F421-K618 WeakPolarHBondContact CE1-O 3.48Å; F421-M619 HydrophobicContact CB-CE 4.38Å; F421-M619 HydrophobicContact CB-SD 4.08Å; F421-H620 AromaticContact CE1-ND1 3.9Å; F421-M626 HydrophobicContact CG-CE 4.45Å; F421-A706 HydrophobicContact CE1-CB 4.49Å; F421-A706 HydrophobicContact CE2-CB 3.62Å; F421-A706 HydrophobicContact CZ-CB 3.58Å |
| 422 | F | 96.6 | Very high | 92 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -115.9 | -16.9 | -171.6 | -73 | -86.7 | 0 | 0 | 0 | 114.1 | A399 L411 T412 S418 E419 M619 M626 Y627 | A399-F422 HydrophobicContact CB-CD1 4.27Å; A399-F422 HydrophobicContact CB-CE1 3.38Å; A399-F422 HydrophobicContact CB-CZ 3.61Å; L411-F422 HydrophobicContact CB-CB 3.83Å; L411-F422 HydrophobicContact CB-CD1 4.49Å; L411-F422 HydrophobicContact CB-CD2 4.16Å; L411-F422 HydrophobicContact CB-CG 3.89Å; L411-F422 HydrophobicContact CD1-CD1 3.79Å; L411-F422 HydrophobicContact CD1-CD2 4.09Å; L411-F422 HydrophobicContact CD1-CE1 3.92Å; L411-F422 HydrophobicContact CD1-CE2 4.21Å; L411-F422 HydrophobicContact CD1-CG 3.9Å; L411-F422 HydrophobicContact CD1-CZ 4.12Å; L411-F422 HydrophobicContact CD2-CD2 4.42Å; L411-F422 HydrophobicContact CG-CD2 4.45Å; L411-F422 HydrophobicContact CG-CG 4.41Å; T412-F422 HydrophobicContact CG2-CB 4.29Å; S418-F422 WeakPolarHBondContact O-CD2 3.33Å; S418-F422 PolarHBondContact O-N 3.09Å; E419-F422 PolarHBondContact O-N 2.87Å; F422-M619 HydrophobicContact CE1-CE 4.32Å; F422-M619 HydrophobicContact CE2-CE 4.33Å; F422-M619 HydrophobicContact CZ-CE 3.98Å; F422-M626 HydrophobicContact CE2-CB 4.48Å; F422-M626 HydrophobicContact CE2-CE 4.03Å; F422-M626 HydrophobicContact CE2-SD 3.96Å; F422-M626 HydrophobicContact CZ-CB 4.2Å; F422-M626 HydrophobicContact CZ-CE 4.47Å; F422-M626 HydrophobicContact CZ-SD 3.81Å; F422-Y627 HydrophobicContact CD2-CD2 4.43Å; F422-Y627 HydrophobicContact CD2-CE2 4.19Å; F422-Y627 AromaticContact CE2-CD2 3.72Å; F422-Y627 HydrophobicContact CE2-CD2 3.72Å; F422-Y627 AromaticContact CE2-CE2 3.7Å; F422-Y627 HydrophobicContact CE2-CE2 3.7Å; F422-Y627 HydrophobicContact CZ-CD2 4.42Å |
| 423 | S | 92.6 | Very high | 92.2 | Very high | 12 Ų | 12 | 50 Ų | 50 | 8% | 0.084 | 27% | 0.272 | C | S | . | . | trans | -70.1 | 158.6 | 173.4 | -169.1 | 0 | 0 | 0 | 0 | 111.1 | E419 N425 A428 G430 | E419-S423 WeakPolarHBondContact O-CA 2.94Å; E419-S423 WeakPolarHBondContact O-CB 3.33Å; E419-S423 PolarHBondContact O-N 2.79Å; S423-N425 WeakPolarHBondContact OG-CB 3.28Å; S423-N425 VanDerWaalsContact OG-CG 3.28Å; S423-N425 PolarHBondContact OG-N 3.39Å; S423-N425 PolarHBondContact OG-ND2 2.78Å; S423-A428 WeakPolarHBondContact O-CB 3.22Å; S423-G430 WeakPolarHBondContact O-CA 3.39Å; S423-G430 PolarHBondContact O-N 3.37Å | ||
| 424 | R | 91.2 | Very high | 92.5 | Very high | 133 Ų | 133 | 47 Ų | 47 | 50% | 0.502 | 26% | 0.259 | S | S | . | . | trans | -114.1 | 13.9 | 172.2 | -63.8 | -177.3 | 66.3 | -163.6 | -2.1 | 111.9 | F601 | R424-F601 PolarHBondContact NE-O 2.82Å; R424-F601 PolarHBondContact NH2-O 3.15Å | ||
| 425 | N | 87.1 | Confident | 93.1 | Very high | 98 Ų | 98 | 38.6 Ų | 38.6 | 52% | 0.524 | 22% | 0.22 | S | C | . | . | trans | -76.9 | 159.7 | 175.9 | -61.7 | -19.7 | 0 | 0 | 0 | 109.7 | S423 G427 A428 | S423-N425 WeakPolarHBondContact OG-CB 3.28Å; S423-N425 VanDerWaalsContact OG-CG 3.28Å; S423-N425 PolarHBondContact OG-N 3.39Å; S423-N425 PolarHBondContact OG-ND2 2.78Å; N425-G427 VanDerWaalsContact C-N 3.3Å; N425-G427 PolarHBondContact O-N 3.26Å; N425-A428 WeakPolarHBondContact O-CB 3.46Å; N425-A428 PolarHBondContact O-N 3.38Å | ||
| 426 | N | 83.8 | Confident | 93.8 | Very high | 129 Ų | 129 | 35.1 Ų | 35.1 | 69% | 0.69 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 41.9 | 175 | -54.8 | -17.1 | 0 | 0 | 0 | 113.8 | A428 | N426-A428 VanDerWaalsContact C-N 3.3Å; N426-A428 PolarHBondContact O-N 3.5Å |
| 427 | G | 86.5 | Confident | 94.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -6.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | N425 T606 | N425-G427 VanDerWaalsContact C-N 3.3Å; N425-G427 PolarHBondContact O-N 3.26Å; G427-T606 WeakPolarHBondContact O-CB 3.19Å; G427-T606 PolarHBondContact O-OG1 3.4Å |
| 428 | A | 93.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | trans | -66.8 | 149.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | S423 N425 N426 | S423-A428 WeakPolarHBondContact O-CB 3.22Å; N425-A428 WeakPolarHBondContact O-CB 3.46Å; N425-A428 PolarHBondContact O-N 3.38Å; N426-A428 VanDerWaalsContact C-N 3.3Å; N426-A428 PolarHBondContact O-N 3.5Å | ||
| 429 | I | 95.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | trans | -76.1 | -36.2 | 179.1 | -72.8 | 166.3 | 0 | 0 | 0 | 112 | Y433 L594 N597 I598 F601 F613 | I429-Y433 HydrophobicContact CB-CE1 3.92Å; I429-Y433 HydrophobicContact CD1-CE1 3.88Å; I429-Y433 HydrophobicContact CG2-CD1 3.94Å; I429-Y433 HydrophobicContact CG2-CE1 3.41Å; I429-Y433 VanDerWaalsContact CG2-CE1 3.41Å; I429-Y433 HydrophobicContact CG2-CE2 4.35Å; I429-L594 HydrophobicContact CD1-CD1 4.2Å; I429-N597 HydrophobicContact CD1-CB 4.16Å; I429-I598 HydrophobicContact CD1-CG1 4Å; I429-F601 HydrophobicContact CG2-CB 3.81Å; I429-F601 HydrophobicContact CG2-CD2 4.42Å; I429-F613 HydrophobicContact CD1-CE2 3.99Å; I429-F613 HydrophobicContact CD1-CZ 3.97Å; I429-F613 HydrophobicContact CG1-CE2 4.03Å; I429-F613 HydrophobicContact CG1-CZ 4.5Å | ||
| 430 | G | 95.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | trans | 89 | -161.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113 | F421 S423 T432 Y433 | F421-G430 CarbonylContact O-C 3.52Å; S423-G430 WeakPolarHBondContact O-CA 3.39Å; S423-G430 PolarHBondContact O-N 3.37Å; G430-T432 PolarHBondContact O-N 3.25Å; G430-Y433 WeakPolarHBondContact O-CE2 3.36Å; G430-Y433 VanDerWaalsContact O-CZ 3.23Å; G430-Y433 PolarHBondContact O-OH 3.47Å | ||
| 431 | G | 96.3 | Very high | 95 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 11% | 0.113 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -86.4 | 12.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | N397 Y398 | N397-G431 WeakPolarHBondContact CA-O 3.35Å; N397-G431 PolarHBondContact OD1-O 3.29Å; Y398-G431 PolarHBondContact N-O 2.77Å |
| 432 | T | 97.7 | Very high | 94.9 | Very high | 32 Ų | 32 | 30.2 Ų | 30.2 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 126.1 | -173.5 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | Q395 W396 G430 F601 | Q395-T432 HydrophobicContact CG-CG2 3.52Å; W396-T432 CarbonylContact O-C 3.58Å; W396-T432 VanDerWaalsContact O-CA 3.31Å; W396-T432 WeakPolarHBondContact O-CA 3.45Å; G430-T432 PolarHBondContact O-N 3.25Å; T432-F601 HydrophobicContact CG2-CE1 4.41Å; T432-F601 HydrophobicContact CG2-CZ 4.12Å; T432-F601 VanDerWaalsContact O-CD2 3.25Å; T432-F601 WeakPolarHBondContact O-CD2 3.23Å; T432-F601 WeakPolarHBondContact O-CE2 3.41Å |
| 433 | Y | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.5 | -172.2 | -63 | -97.4 | 0 | 0 | 0 | 111.2 | Q395 W396 Y398 I429 G430 E588 N597 N617 M619 | Q395-Y433 CarbonylContact C-O 3.46Å; W396-Y433 PolarHBondContact N-O 3.18Å; W396-Y433 PolarHBondContact O-N 2.87Å; Y398-Y433 AromaticContact CD2-CD2 3.85Å; Y398-Y433 HydrophobicContact CD2-CD2 3.85Å; Y398-Y433 HydrophobicContact CD2-CE2 4.18Å; Y398-Y433 AromaticContact CE2-CD2 3.58Å; Y398-Y433 HydrophobicContact CE2-CD2 3.58Å; Y398-Y433 HydrophobicContact CE2-CE2 4.08Å; Y398-Y433 HydrophobicContact CE2-CG 4.38Å; I429-Y433 HydrophobicContact CB-CE1 3.92Å; I429-Y433 HydrophobicContact CD1-CE1 3.88Å; I429-Y433 HydrophobicContact CG2-CD1 3.94Å; I429-Y433 HydrophobicContact CG2-CE1 3.41Å; I429-Y433 VanDerWaalsContact CG2-CE1 3.41Å; I429-Y433 HydrophobicContact CG2-CE2 4.35Å; G430-Y433 WeakPolarHBondContact O-CE2 3.36Å; G430-Y433 VanDerWaalsContact O-CZ 3.23Å; G430-Y433 PolarHBondContact O-OH 3.47Å; Y433-E588 HydrophobicContact CD1-CB 3.86Å; Y433-E588 HydrophobicContact CD1-CG 3.64Å; Y433-E588 HydrophobicContact CD2-CG 4.21Å; Y433-E588 HydrophobicContact CE1-CB 3.7Å; Y433-E588 HydrophobicContact CE1-CG 3.72Å; Y433-E588 HydrophobicContact CE2-CG 4.26Å; Y433-E588 HydrophobicContact CG-CG 3.91Å; Y433-N597 HydrophobicContact CD1-CB 4.16Å; Y433-N617 PolarHBondContact OH-OD1 2.81Å; Y433-M619 HydrophobicContact CE2-CE 4.29Å; Y433-M619 HydrophobicContact CE2-CG 4.26Å; Y433-M619 HydrophobicContact CE2-SD 4.27Å |
| 434 | V | 98.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 35.7 Ų | 35.7 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 127.7 | 161.2 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | V394 Y593 N597 L600 F601 | V394-V434 WeakPolarHBondContact O-CA 3.3Å; V434-Y593 HydrophobicContact CG1-CD1 3.79Å; V434-Y593 HydrophobicContact CG1-CE1 4.3Å; V434-Y593 HydrophobicContact CG1-CG 4.13Å; V434-Y593 WeakPolarHBondContact O-CB 3.25Å; V434-N597 WeakPolarHBondContact CB-OD1 3.25Å; V434-N597 PolarHBondContact N-OD1 2.84Å; V434-N597 PolarHBondContact O-ND2 3.13Å; V434-L600 HydrophobicContact CG2-CD1 3.55Å; V434-F601 HydrophobicContact CG2-CE2 4.37Å |
| 435 | K | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 171.9 | -178 | -62.1 | -164.2 | 75.7 | 68.4 | 0 | 109.5 | E393 V394 W396 Y398 L458 N551 S552 E588 | E393-K435 CarbonylContact C-O 3.55Å; E393-K435 VanDerWaalsContact CA-O 3.24Å; E393-K435 WeakPolarHBondContact CA-O 3.29Å; V394-K435 HydrophobicContact CG2-CB 4.3Å; V394-K435 PolarHBondContact N-O 3.02Å; V394-K435 PolarHBondContact O-N 2.84Å; W396-K435 HydrophobicContact CB-CB 4.16Å; W396-K435 HydrophobicContact CB-CD 3.55Å; W396-K435 HydrophobicContact CB-CG 3.8Å; W396-K435 HydrophobicContact CG-CD 3.73Å; W396-K435 HydrophobicContact CG-CG 4.5Å; Y398-K435 PolarHBondContact OH-NZ 2.8Å; K435-L458 HydrophobicContact CD-CD1 3.75Å; K435-N551 PolarHBondContact NZ-O 2.95Å; K435-S552 WeakPolarHBondContact CA-O 3.3Å; K435-S552 VanDerWaalsContact CB-O 3.31Å; K435-S552 WeakPolarHBondContact CB-O 2.94Å; K435-E588 WeakPolarHBondContact CD-OE1 3.25Å; K435-E588 IonicContact NZ-OE1 2.68Å; K435-E588 PolarHBondContact NZ-OE1 2.86Å; K435-E588 IonicContact NZ-OE2 3.17Å; K435-E588 PolarHBondContact NZ-OE2 3.14Å; K435-E588 VanDerWaalsContact NZ-OE2 3.1Å |
| 436 | V | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 132.3 | 173.5 | 63.5 | 0 | 0 | 0 | 0 | 110 | A391 E392 A479 Y483 S552 G553 L554 Y593 | A391-V436 HydrophobicContact CB-CG2 4.13Å; E392-V436 WeakPolarHBondContact O-CA 3.31Å; V436-A479 HydrophobicContact CG2-CB 3.81Å; V436-Y483 HydrophobicContact CB-CE2 4.49Å; V436-Y483 HydrophobicContact CG1-CE1 4.41Å; V436-Y483 HydrophobicContact CG1-CE2 4.07Å; V436-Y483 HydrophobicContact CG2-CE2 3.98Å; V436-S552 PolarHBondContact N-O 3.1Å; V436-G553 CarbonylContact O-C 3.57Å; V436-G553 VanDerWaalsContact O-CA 3.28Å; V436-G553 WeakPolarHBondContact O-CA 3.44Å; V436-L554 HydrophobicContact CG1-CD1 3.89Å; V436-L554 HydrophobicContact CG1-CD2 4.16Å; V436-L554 HydrophobicContact CG1-CG 3.72Å; V436-L554 HydrophobicContact CG2-CD2 4.09Å; V436-L554 HydrophobicContact CG2-CG 4.5Å; V436-Y593 HydrophobicContact CB-CE2 3.98Å; V436-Y593 HydrophobicContact CG1-CE2 3.73Å |
| 437 | I | 97.8 | Very high | 95.9 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 155.9 | -173.6 | 66.3 | 169.1 | 0 | 0 | 0 | 112.1 | A391 E392 V394 K439 L458 | A391-I437 WeakPolarHBondContact CA-O 3.38Å; E392-I437 PolarHBondContact N-O 3.03Å; E392-I437 PolarHBondContact O-N 2.98Å; V394-I437 HydrophobicContact CG1-CD1 3.88Å; V394-I437 HydrophobicContact CG1-CG1 3.9Å; V394-I437 HydrophobicContact CG2-CD1 4.16Å; V394-I437 HydrophobicContact CG2-CG1 4.06Å; V394-I437 HydrophobicContact CG2-CG2 3.87Å; I437-K439 HydrophobicContact CD1-CG 4.22Å; I437-K439 HydrophobicContact CG1-CG 4.25Å; I437-L458 HydrophobicContact CG2-CD1 4.07Å; I437-L458 HydrophobicContact CG2-CG 3.91Å |
| 438 | Y | 98.4 | Very high | 96.4 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 127.7 | 169.5 | -67.1 | -62.5 | 0 | 0 | 0 | 111.7 | A390 F475 S484 I485 Y540 S542 L554 | A390-Y438 WeakPolarHBondContact O-CA 3.45Å; Y438-F475 HydrophobicContact CD1-CE2 4.27Å; Y438-F475 AromaticContact CE1-CE2 3.89Å; Y438-F475 HydrophobicContact CE1-CE2 3.89Å; Y438-F475 HydrophobicContact CE1-CZ 4.44Å; Y438-S484 PolarHBondContact OH-O 3.28Å; Y438-I485 HydrophobicContact CD1-CD1 4.4Å; Y438-I485 HydrophobicContact CE1-CD1 3.9Å; Y438-I485 HydrophobicContact CE1-CG1 3.78Å; Y438-Y540 HydrophobicContact CD2-CD2 4.3Å; Y438-Y540 AromaticContact CD2-CE2 3.6Å; Y438-Y540 HydrophobicContact CD2-CE2 3.6Å; Y438-Y540 HydrophobicContact CE2-CD2 4.06Å; Y438-Y540 AromaticContact CE2-CE2 3.83Å; Y438-Y540 HydrophobicContact CE2-CE2 3.83Å; Y438-Y540 HydrophobicContact CG-CE2 4.06Å; Y438-S542 WeakPolarHBondContact OH-CA 3.27Å; Y438-S542 WeakPolarHBondContact OH-CB 3.38Å; Y438-S542 PolarHBondContact OH-N 2.96Å; Y438-L554 HydrophobicContact CD1-CD2 4.02Å; Y438-L554 HydrophobicContact CD2-CB 4.45Å; Y438-L554 HydrophobicContact CD2-CD2 4.1Å; Y438-L554 HydrophobicContact CE1-CD2 3.88Å; Y438-L554 VanDerWaalsContact CE2-C 3.48Å; Y438-L554 HydrophobicContact CE2-CB 3.75Å; Y438-L554 HydrophobicContact CE2-CD2 3.99Å; Y438-L554 HydrophobicContact CE2-CG 4.44Å; Y438-L554 HydrophobicContact CG-CD2 4.12Å |
| 439 | K | 97.5 | Very high | 96.4 | Very high | 48 Ų | 48 | 37.2 Ų | 37.2 | 21% | 0.209 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.6 | 171.3 | -65.1 | -173.8 | -165.9 | 160 | 0 | 111.5 | L389 A390 E392 I437 Y441 I449 | L389-K439 CarbonylContact C-O 3.48Å; L389-K439 WeakPolarHBondContact CA-O 3.42Å; A390-K439 PolarHBondContact N-O 3.24Å; A390-K439 PolarHBondContact O-N 3.22Å; E392-K439 HydrophobicContact CB-CD 4.47Å; E392-K439 WeakPolarHBondContact OE2-CD 3.33Å; E392-K439 IonicContact OE2-NZ 2.64Å; E392-K439 PolarHBondContact OE2-NZ 2.81Å; I437-K439 HydrophobicContact CD1-CG 4.22Å; I437-K439 HydrophobicContact CG1-CG 4.25Å; K439-Y441 HydrophobicContact CB-CE2 4.17Å; K439-I449 HydrophobicContact CD-CD1 4.43Å |
| 440 | E | 97.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 139.9 | 175.1 | -151.7 | -177.6 | 167.9 | 0 | 0 | 111.5 | Y388 L389 K450 P461 | Y388-E440 CarbonylContact O-C 3.56Å; Y388-E440 WeakPolarHBondContact O-CA 3.09Å; L389-E440 HydrophobicContact CD2-CB 4.23Å; L389-E440 HydrophobicContact CD2-CG 3.98Å; E440-K450 HydrophobicContact CB-CB 4.17Å; E440-K450 HydrophobicContact CG-CB 4.48Å; E440-K450 HydrophobicContact CG-CD 4.27Å; E440-K450 PolarHBondContact O-N 3.05Å; E440-K450 IonicContact OE1-NZ 2.83Å; E440-K450 PolarHBondContact OE1-NZ 3.44Å; E440-K450 WeakPolarHBondContact OE2-CD 3.5Å; E440-K450 WeakPolarHBondContact OE2-CE 3.44Å; E440-K450 IonicContact OE2-NZ 2.75Å; E440-K450 PolarHBondContact OE2-NZ 2.68Å; E440-P461 HydrophobicContact CB-CB 3.72Å; E440-P461 HydrophobicContact CB-CG 3.7Å; E440-P461 HydrophobicContact CG-CB 4.09Å; E440-P461 HydrophobicContact CG-CG 4.08Å |
| 441 | Y | 97.7 | Very high | 96.1 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 4% | 0.043 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 159.2 | 174.4 | -75.9 | -95.6 | 0 | 0 | 0 | 111.1 | Y388 A390 E392 K439 D443 F446 H448 I449 K478 | Y388-Y441 PolarHBondContact O-N 2.74Å; A390-Y441 HydrophobicContact CB-CD2 4.22Å; A390-Y441 HydrophobicContact CB-CE2 3.78Å; E392-Y441 VanDerWaalsContact OE1-CE2 3.28Å; E392-Y441 WeakPolarHBondContact OE1-CE2 3.46Å; E392-Y441 VanDerWaalsContact OE1-CZ 3.27Å; E392-Y441 PolarHBondContact OE1-OH 3.04Å; K439-Y441 HydrophobicContact CB-CE2 4.17Å; Y441-D443 VanDerWaalsContact C-N 3.34Å; Y441-F446 HydrophobicContact CD1-CB 4.14Å; Y441-F446 AromaticContact CD2-CD1 3.71Å; Y441-F446 HydrophobicContact CD2-CD1 3.71Å; Y441-F446 HydrophobicContact CD2-CE1 4.49Å; Y441-F446 HydrophobicContact CE1-CB 4.27Å; Y441-F446 WeakPolarHBondContact CE1-O 3.5Å; Y441-F446 HydrophobicContact CE2-CD1 4.3Å; Y441-F446 HydrophobicContact CG-CB 4.26Å; Y441-F446 AromaticContact CG-CD1 3.83Å; Y441-F446 HydrophobicContact CG-CD1 3.83Å; Y441-F446 HydrophobicContact CG-CG 4.47Å; Y441-H448 WeakPolarHBondContact CA-O 3.4Å; Y441-H448 WeakPolarHBondContact CD1-O 3.34Å; Y441-I449 HydrophobicContact CD1-CG1 4.19Å; Y441-I449 HydrophobicContact CE1-CG1 3.53Å; Y441-I449 HydrophobicContact CE2-CG1 4.32Å; Y441-K478 PolarHBondContact OH-NZ 3.42Å |
| 442 | T | 95.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 48.8 Ų | 48.8 | 44% | 0.436 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -72.5 | -27.1 | -178.9 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | H448 | T442-H448 HydrophobicContact CG2-CB 4.19Å; T442-H448 PolarHBondContact N-O 2.78Å |
| 443 | D | 94.7 | Very high | 95.5 | Very high | 49 Ų | 49 | 50.4 Ų | 50.4 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -161.2 | 178.1 | -172.8 | 55.1 | 59.3 | 0 | 0 | 0 | 111.3 | Y388 Y441 T445 F446 | Y388-D443 VanDerWaalsContact CD2-CA 3.43Å; Y441-D443 VanDerWaalsContact C-N 3.34Å; D443-T445 PolarHBondContact O-N 3.01Å; D443-T445 VanDerWaalsContact O-N 3.16Å; D443-T445 WeakPolarHBondContact OD1-CB 3.1Å; D443-T445 WeakPolarHBondContact OD1-CG2 3.31Å; D443-T445 PolarHBondContact OD1-N 3.36Å; D443-T445 PolarHBondContact OD1-OG1 3.04Å; D443-F446 PolarHBondContact O-N 3.06Å |
| 444 | N | 93.4 | Very high | 95.2 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 52% | 0.524 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 1.7 | -179 | 66.6 | -5.4 | 0 | 0 | 0 | 115 | Y388 F446 | Y388-N444 HydrophobicContact CD1-CB 3.88Å; Y388-N444 VanDerWaalsContact CD1-N 3.26Å; Y388-N444 HydrophobicContact CE1-CB 3.7Å; N444-F446 VanDerWaalsContact C-N 3.29Å; N444-F446 VanDerWaalsContact O-CD2 3.23Å; N444-F446 WeakPolarHBondContact O-CD2 3.22Å |
| 445 | T | 94.4 | Very high | 95 | Very high | 77 Ų | 77 | 53.9 Ų | 53.9 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -17.7 | 172.5 | 73.2 | 0 | 0 | 0 | 0 | 111.8 | D443 T447 | D443-T445 PolarHBondContact O-N 3.01Å; D443-T445 VanDerWaalsContact O-N 3.16Å; D443-T445 WeakPolarHBondContact OD1-CB 3.1Å; D443-T445 WeakPolarHBondContact OD1-CG2 3.31Å; D443-T445 PolarHBondContact OD1-N 3.36Å; D443-T445 PolarHBondContact OD1-OG1 3.04Å; T445-T447 PolarHBondContact O-N 3.46Å; T445-T447 PolarHBondContact OG1-OG1 2.83Å |
| 446 | F | 95.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | trans | 51.4 | 38.5 | -177.6 | -60.8 | -86.5 | 0 | 0 | 0 | 113.4 | L389 A390 Y441 D443 N444 T474 Q476 K478 | L389-F446 VanDerWaalsContact O-CE1 3.28Å; L389-F446 WeakPolarHBondContact O-CE1 3.24Å; A390-F446 HydrophobicContact CB-CD1 4.16Å; A390-F446 HydrophobicContact CB-CE1 4.43Å; Y441-F446 HydrophobicContact CD1-CB 4.14Å; Y441-F446 AromaticContact CD2-CD1 3.71Å; Y441-F446 HydrophobicContact CD2-CD1 3.71Å; Y441-F446 HydrophobicContact CD2-CE1 4.49Å; Y441-F446 HydrophobicContact CE1-CB 4.27Å; Y441-F446 WeakPolarHBondContact CE1-O 3.5Å; Y441-F446 HydrophobicContact CE2-CD1 4.3Å; Y441-F446 HydrophobicContact CG-CB 4.26Å; Y441-F446 AromaticContact CG-CD1 3.83Å; Y441-F446 HydrophobicContact CG-CD1 3.83Å; Y441-F446 HydrophobicContact CG-CG 4.47Å; D443-F446 PolarHBondContact O-N 3.06Å; N444-F446 VanDerWaalsContact C-N 3.29Å; N444-F446 VanDerWaalsContact O-CD2 3.23Å; N444-F446 WeakPolarHBondContact O-CD2 3.22Å; F446-T474 HydrophobicContact CE2-CG2 4.17Å; F446-T474 HydrophobicContact CZ-CG2 3.9Å; F446-Q476 HydrophobicContact CD1-CB 4.07Å; F446-Q476 HydrophobicContact CD2-CB 3.98Å; F446-Q476 HydrophobicContact CD2-CG 4.47Å; F446-Q476 VanDerWaalsContact CD2-OE1 3.27Å; F446-Q476 HydrophobicContact CE1-CB 3.78Å; F446-Q476 HydrophobicContact CE2-CB 3.68Å; F446-Q476 HydrophobicContact CG-CB 4.16Å; F446-Q476 HydrophobicContact CZ-CB 3.58Å; F446-K478 PolarHBondContact O-NZ 2.94Å | ||
| 447 | T | 94.4 | Very high | 94.7 | Very high | 90 Ų | 90 | 55.5 Ų | 55.5 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | trans | -101.7 | -41.4 | 179.6 | 55.9 | 0 | 0 | 0 | 0 | 113.1 | T445 | T445-T447 PolarHBondContact O-N 3.46Å; T445-T447 PolarHBondContact OG1-OG1 2.83Å | ||
| 448 | H | 95.6 | Very high | 94.6 | Very high | 126 Ų | 126 | 54.6 Ų | 54.6 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -106.7 | 108.7 | -176.8 | -64.6 | -66.8 | 0 | 0 | 0 | 111.4 | Y441 T442 | Y441-H448 WeakPolarHBondContact CA-O 3.4Å; Y441-H448 WeakPolarHBondContact CD1-O 3.34Å; T442-H448 HydrophobicContact CG2-CB 4.19Å; T442-H448 PolarHBondContact N-O 2.78Å |
| 449 | I | 94.4 | Very high | 94.5 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -69.8 | 132.4 | 175.9 | -60.1 | 169.5 | 0 | 0 | 0 | 109 | K439 Y441 | K439-I449 HydrophobicContact CD-CD1 4.43Å; Y441-I449 HydrophobicContact CD1-CG1 4.19Å; Y441-I449 HydrophobicContact CE1-CG1 3.53Å; Y441-I449 HydrophobicContact CE2-CG1 4.32Å |
| 450 | K | 93.6 | Very high | 94.5 | Very high | 96 Ų | 96 | 52.3 Ų | 52.3 | 42% | 0.417 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 131.9 | 173.4 | -176.8 | 174 | 163.5 | -143.6 | 0 | 109.3 | E440 S452 | E440-K450 HydrophobicContact CB-CB 4.17Å; E440-K450 HydrophobicContact CG-CB 4.48Å; E440-K450 HydrophobicContact CG-CD 4.27Å; E440-K450 PolarHBondContact O-N 3.05Å; E440-K450 IonicContact OE1-NZ 2.83Å; E440-K450 PolarHBondContact OE1-NZ 3.44Å; E440-K450 WeakPolarHBondContact OE2-CD 3.5Å; E440-K450 WeakPolarHBondContact OE2-CE 3.44Å; E440-K450 IonicContact OE2-NZ 2.75Å; E440-K450 PolarHBondContact OE2-NZ 2.68Å; K450-S452 PolarHBondContact O-N 2.71Å |
| 451 | A | 90.2 | Very high | 94.5 | Very high | 100 Ų | 100 | 51.5 Ų | 51.5 | 83% | 0.826 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 129.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 452 | S | 89.3 | Confident | 94.4 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 44% | 0.441 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -93.5 | 149.6 | 171.8 | -65 | 0 | 0 | 0 | 0 | 111.4 | K450 | K450-S452 PolarHBondContact O-N 2.71Š|
| 453 | P | 91.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 48 Ų | 48 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 142.7 | 170 | -22.8 | 34.2 | 0 | 0 | 0 | 111.7 | H455 H456 | P453-H455 PolarHBondContact O-N 2.68Å; P453-H455 VanDerWaalsContact O-N 3.13Å; P453-H456 WeakPolarHBondContact CG-NE2 3.21Å; P453-H456 WeakPolarHBondContact O-CB 3.5Å; P453-H456 PolarHBondContact O-N 3.03Å |
| 454 | S | 92 | Very high | 94.5 | Very high | 74 Ų | 74 | 48.2 Ų | 48.2 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -61.3 | -26.8 | -176 | 63.7 | 0 | 0 | 0 | 0 | 114 | H456 P631 G632 | S454-H456 PolarHBondContact O-N 3.02Å; S454-P631 CarbonylContact C-O 3.39Å; S454-P631 PolarHBondContact OG-O 2.78Å; S454-G632 WeakPolarHBondContact OG-CA 3.46Å |
| 455 | H | 94.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.06 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -76.2 | -8.9 | 179.8 | 73.8 | -93.9 | 0 | 0 | 0 | 113.3 | P453 G457 F579 F580 N623 L630 P631 L633 | P453-H455 PolarHBondContact O-N 2.68Å; P453-H455 VanDerWaalsContact O-N 3.13Å; H455-G457 PolarHBondContact O-N 3.38Å; H455-F579 AromaticContact CE1-CD1 3.89Å; H455-F579 AromaticContact ND1-CD1 3.91Å; H455-F579 AromaticContact NE2-CD1 3.97Å; H455-F580 AromaticContact NE2-CD2 3.96Å; H455-F580 PolarHBondContact NE2-N 3.07Å; H455-N623 PolarHBondContact O-ND2 3.26Å; H455-L630 WeakPolarHBondContact O-CD1 3.41Å; H455-P631 WeakPolarHBondContact CA-O 3.36Å; H455-P631 WeakPolarHBondContact CB-O 3.46Å; H455-P631 PolarHBondContact N-O 3.49Å; H455-L633 HydrophobicContact CB-CD2 3.77Å |
| 456 | H | 94.7 | Very high | 94.6 | Very high | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -68.4 | -25.1 | 178.5 | -77.5 | -149 | 0 | 0 | 0 | 112.2 | P453 S454 L458 L459 V462 F580 N623 | P453-H456 WeakPolarHBondContact CG-NE2 3.21Å; P453-H456 WeakPolarHBondContact O-CB 3.5Å; P453-H456 PolarHBondContact O-N 3.03Å; S454-H456 PolarHBondContact O-N 3.02Å; H456-L458 PolarHBondContact O-N 3.36Å; H456-L458 VanDerWaalsContact O-N 3.14Å; H456-L459 HydrophobicContact CB-CB 4.34Å; H456-L459 VanDerWaalsContact O-CB 3.25Å; H456-L459 WeakPolarHBondContact O-CB 3.39Å; H456-L459 PolarHBondContact O-N 3.15Å; H456-V462 VanDerWaalsContact CE1-CG2 3.48Å; H456-V462 WeakPolarHBondContact CE1-CG2 3.32Å; H456-F580 AromaticContact NE2-CD2 3.93Å; H456-N623 WeakPolarHBondContact O-CB 3.21Å |
| 457 | G | 94.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 26% | 0.258 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -121.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | H455 N623 | H455-G457 PolarHBondContact O-N 3.38Å; G457-N623 WeakPolarHBondContact CA-O 3.39Å |
| 458 | L | 95.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -19.7 | 179 | 172.9 | 137.1 | 0 | 0 | 0 | 113.6 | W396 K435 I437 H456 G460 G553 V555 M586 N623 | W396-L458 HydrophobicContact CD2-CB 4.47Å; W396-L458 HydrophobicContact CD2-CD1 4.36Å; W396-L458 HydrophobicContact CG-CD1 4.5Å; W396-L458 HydrophobicContact CH2-CB 4Å; W396-L458 HydrophobicContact CZ2-CB 3.77Å; W396-L458 HydrophobicContact CZ3-CB 4.39Å; K435-L458 HydrophobicContact CD-CD1 3.75Å; I437-L458 HydrophobicContact CG2-CD1 4.07Å; I437-L458 HydrophobicContact CG2-CG 3.91Å; H456-L458 PolarHBondContact O-N 3.36Å; H456-L458 VanDerWaalsContact O-N 3.14Å; L458-G460 PolarHBondContact O-N 2.9Å; L458-G553 WeakPolarHBondContact CD2-O 3.43Å; L458-V555 HydrophobicContact CD2-CG1 4.18Å; L458-M586 HydrophobicContact CD1-SD 4.49Å; L458-M586 HydrophobicContact CD2-CE 3.78Å; L458-N623 PolarHBondContact N-O 3.3Å |
| 459 | L | 97.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 139.9 | -176.3 | -71.2 | 174.6 | 0 | 0 | 0 | 112.7 | H456 V555 F580 L582 N623 | H456-L459 HydrophobicContact CB-CB 4.34Å; H456-L459 VanDerWaalsContact O-CB 3.25Å; H456-L459 WeakPolarHBondContact O-CB 3.39Å; H456-L459 PolarHBondContact O-N 3.15Å; L459-V555 HydrophobicContact CD2-CG1 4.21Å; L459-F580 HydrophobicContact CD1-CB 4.25Å; L459-L582 HydrophobicContact CD1-CB 4.26Å; L459-L582 HydrophobicContact CD2-CB 3.79Å; L459-L582 HydrophobicContact CD2-CD2 3.7Å; L459-L582 HydrophobicContact CD2-CG 4.37Å; L459-L582 HydrophobicContact CG-CB 4.31Å; L459-N623 WeakPolarHBondContact CD1-OD1 3.4Å |
| 460 | G | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -57.6 | 169.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L458 V555 P557 | L458-G460 PolarHBondContact O-N 2.9Å; G460-V555 PolarHBondContact N-O 3.02Å; G460-P557 WeakPolarHBondContact O-CD 3.41Å |
| 461 | P | 96.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 152.4 | 174.7 | 29.4 | -38.4 | 0 | 0 | 0 | 112.3 | L389 E440 L463 Y540 | L389-P461 HydrophobicContact CD2-CG 3.28Å; E440-P461 HydrophobicContact CB-CB 3.72Å; E440-P461 HydrophobicContact CB-CG 3.7Å; E440-P461 HydrophobicContact CG-CB 4.09Å; E440-P461 HydrophobicContact CG-CG 4.08Å; P461-L463 PolarHBondContact O-N 3.01Å; P461-Y540 WeakPolarHBondContact CD-OH 3.5Å; P461-Y540 VanDerWaalsContact O-CE1 3.32Å; P461-Y540 WeakPolarHBondContact O-CE1 3.09Å; P461-Y540 PolarHBondContact O-OH 3.1Å |
| 462 | V | 96.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 5% | 0.048 | 16% | 0.161 | C | C | . | . | trans | -79.4 | 112.4 | 179.1 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | H456 R464 P557 L559 F580 | H456-V462 VanDerWaalsContact CE1-CG2 3.48Å; H456-V462 WeakPolarHBondContact CE1-CG2 3.32Å; V462-R464 VanDerWaalsContact CB-NH1 3.31Å; V462-R464 HydrophobicContact CG1-CG 3.85Å; V462-R464 VanDerWaalsContact CG1-CZ 3.48Å; V462-R464 PolarHBondContact O-NH1 2.98Å; V462-P557 WeakPolarHBondContact CA-O 3.29Å; V462-P557 HydrophobicContact CB-CG 4.04Å; V462-P557 HydrophobicContact CG1-CG 4.43Å; V462-P557 HydrophobicContact CG2-CB 4.24Å; V462-P557 HydrophobicContact CG2-CG 3.36Å; V462-L559 HydrophobicContact CG1-CB 4.42Å; V462-F580 HydrophobicContact CB-CZ 4.3Å; V462-F580 HydrophobicContact CG1-CE1 3.81Å; V462-F580 HydrophobicContact CG1-CE2 4.47Å; V462-F580 HydrophobicContact CG1-CZ 3.73Å; V462-F580 HydrophobicContact CG2-CD1 3.98Å; V462-F580 HydrophobicContact CG2-CD2 3.74Å; V462-F580 HydrophobicContact CG2-CE1 3.81Å; V462-F580 HydrophobicContact CG2-CE2 3.59Å; V462-F580 HydrophobicContact CG2-CG 3.95Å; V462-F580 HydrophobicContact CG2-CZ 3.63Å | ||
| 463 | L | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 131.6 | 170.8 | -58.1 | -174.2 | 0 | 0 | 0 | 108.9 | F387 L389 P461 L471 V473 W522 Y540 P557 L558 L559 | F387-L463 HydrophobicContact CB-CD2 3.92Å; F387-L463 HydrophobicContact CD1-CD2 3.42Å; F387-L463 VanDerWaalsContact CD1-CD2 3.42Å; F387-L463 HydrophobicContact CD2-CD2 3.91Å; F387-L463 HydrophobicContact CE1-CD2 3.81Å; F387-L463 HydrophobicContact CE2-CD2 4.26Å; F387-L463 HydrophobicContact CG-CD2 3.48Å; F387-L463 VanDerWaalsContact CG-CD2 3.48Å; F387-L463 HydrophobicContact CZ-CD2 4.22Å; L389-L463 HydrophobicContact CD1-CD1 4.43Å; L389-L463 HydrophobicContact CD1-CD2 4.26Å; P461-L463 PolarHBondContact O-N 3.01Å; L463-L471 HydrophobicContact CB-CD2 4.38Å; L463-V473 HydrophobicContact CD1-CG2 4.3Å; L463-W522 HydrophobicContact CD1-CZ3 4.07Å; L463-Y540 HydrophobicContact CB-CE1 4.35Å; L463-Y540 HydrophobicContact CD1-CD1 3.64Å; L463-Y540 HydrophobicContact CD1-CE1 3.71Å; L463-Y540 HydrophobicContact CD1-CG 4.06Å; L463-Y540 HydrophobicContact CG-CD1 3.92Å; L463-Y540 HydrophobicContact CG-CE1 3.55Å; L463-P557 PolarHBondContact N-O 2.8Å; L463-L558 HydrophobicContact CB-CD1 3.6Å; L463-L558 CarbonylContact O-C 3.59Å; L463-L558 WeakPolarHBondContact O-CA 3.15Å; L463-L559 PolarHBondContact O-N 2.87Å |
| 464 | R | 95.6 | Very high | 95.9 | Very high | 54 Ų | 54 | 22.7 Ų | 22.7 | 20% | 0.204 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138.1 | -176.1 | -61.8 | -175.2 | 175.1 | 67.6 | -0.4 | 111.1 | R385 V462 L559 L566 G570 E578 | R385-R464 WeakPolarHBondContact CD-O 3.26Å; V462-R464 VanDerWaalsContact CB-NH1 3.31Å; V462-R464 HydrophobicContact CG1-CG 3.85Å; V462-R464 VanDerWaalsContact CG1-CZ 3.48Å; V462-R464 PolarHBondContact O-NH1 2.98Å; R464-L559 WeakPolarHBondContact CA-O 3.16Å; R464-L559 HydrophobicContact CG-CB 4.24Å; R464-L566 HydrophobicContact CB-CD1 4.13Å; R464-G570 WeakPolarHBondContact CD-O 3.38Å; R464-G570 PolarHBondContact NE-O 3.24Å; R464-E578 IonicContact NH2-OE2 2.78Å |
| 465 | A | 95.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 156.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | D469 L471 V524 L559 V560 C561 | A465-D469 HydrophobicContact CB-CB 4.19Å; A465-L471 HydrophobicContact CB-CD1 3.34Å; A465-L471 HydrophobicContact CB-CD2 4.19Å; A465-L471 HydrophobicContact CB-CG 3.96Å; A465-V524 HydrophobicContact CB-CG2 3.63Å; A465-L559 PolarHBondContact N-O 3.29Å; A465-V560 WeakPolarHBondContact O-CA 3.41Å; A465-C561 PolarHBondContact O-N 2.81Å |
| 466 | E | 95.8 | Very high | 96.4 | Very high | 23 Ų | 23 | 20.8 Ų | 20.8 | 11% | 0.107 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 160 | 168.9 | -60.8 | -172.3 | 158.6 | 0 | 0 | 111 | G468 D469 C561 G564 A565 L566 | E466-G468 PolarHBondContact O-N 2.81Å; E466-D469 WeakPolarHBondContact CB-OD2 3.32Å; E466-D469 PolarHBondContact N-OD2 2.92Å; E466-D469 VanDerWaalsContact O-CB 3.22Å; E466-D469 WeakPolarHBondContact O-CB 3.4Å; E466-D469 PolarHBondContact O-N 3.39Å; E466-C561 CarbonylContact C-O 3.55Å; E466-C561 VanDerWaalsContact CA-O 3.26Å; E466-C561 WeakPolarHBondContact CA-O 3.45Å; E466-C561 HydrophobicContact CG-CB 4.35Å; E466-G564 VanDerWaalsContact OE1-CA 3.31Å; E466-G564 WeakPolarHBondContact OE1-CA 3.21Å; E466-G564 PolarHBondContact OE1-N 3.06Å; E466-G564 VanDerWaalsContact OE1-N 3.16Å; E466-G564 PolarHBondContact OE2-N 2.83Å; E466-A565 PolarHBondContact OE1-N 3.23Å; E466-A565 VanDerWaalsContact OE1-N 3.1Å; E466-L566 HydrophobicContact CG-CB 4.32Å; E466-L566 HydrophobicContact CG-CD1 3.83Å; E466-L566 HydrophobicContact CG-CG 3.91Å; E466-L566 WeakPolarHBondContact OE1-CB 3.03Å; E466-L566 PolarHBondContact OE1-N 3.14Å |
| 467 | E | 94.6 | Very high | 96.5 | Very high | 82 Ų | 82 | 20.4 Ų | 20.4 | 38% | 0.383 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 122.9 | 170.5 | -171.1 | -172.9 | 166.3 | 0 | 0 | 111.7 | C561 | E467-C561 PolarHBondContact N-O 3.35Š|
| 468 | G | 93.2 | Very high | 96.7 | Very high | 18 Ų | 18 | 23.3 Ų | 23.3 | 19% | 0.186 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | -12.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G382 E466 V524 | G382-G468 VanDerWaalsContact CA-O 3.23Å; G382-G468 WeakPolarHBondContact CA-O 3.31Å; G382-G468 PolarHBondContact N-O 2.71Å; E466-G468 PolarHBondContact O-N 2.81Å; G468-V524 WeakPolarHBondContact CA-O 3.18Å; G468-V524 PolarHBondContact N-O 3.29Å |
| 469 | D | 95.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | trans | -70.8 | 160.4 | 178.8 | -70.1 | -15.5 | 0 | 0 | 0 | 112.5 | G382 V383 R385 A465 E466 V524 | G382-D469 WeakPolarHBondContact CA-OD1 3.22Å; V383-D469 PolarHBondContact N-OD1 3.03Å; V383-D469 WeakPolarHBondContact O-CA 3.34Å; V383-D469 WeakPolarHBondContact O-CB 3.43Å; R385-D469 IonicContact CZ-OD2 3.39Å; R385-D469 IonicContact NE-OD2 2.74Å; R385-D469 PolarHBondContact NE-OD2 3.33Å; R385-D469 IonicContact NH2-OD2 3.3Å; R385-D469 PolarHBondContact NH2-OD2 3.49Å; A465-D469 HydrophobicContact CB-CB 4.19Å; E466-D469 WeakPolarHBondContact CB-OD2 3.32Å; E466-D469 PolarHBondContact N-OD2 2.92Å; E466-D469 VanDerWaalsContact O-CB 3.22Å; E466-D469 WeakPolarHBondContact O-CB 3.4Å; E466-D469 PolarHBondContact O-N 3.39Å; D469-V524 PolarHBondContact O-N 2.89Å | ||
| 470 | I | 96.4 | Very high | 96.6 | Very high | 48 Ų | 48 | 27.1 Ų | 27.1 | 25% | 0.246 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 124.4 | 172.4 | -58.6 | 177.2 | 0 | 0 | 0 | 107.7 | V383 V384 R385 T521 W522 R523 | V383-I470 PolarHBondContact O-N 2.97Å; V384-I470 CarbonylContact C-O 3.6Å; V384-I470 WeakPolarHBondContact CA-O 3.47Å; V384-I470 HydrophobicContact CG2-CB 4.32Å; V384-I470 HydrophobicContact CG2-CD1 4.5Å; R385-I470 PolarHBondContact N-O 3.06Å; I470-T521 HydrophobicContact CG2-CG2 3.7Å; I470-W522 CarbonylContact C-O 3.55Å; I470-W522 WeakPolarHBondContact CA-O 3.28Å; I470-W522 WeakPolarHBondContact CG2-O 3.29Å; I470-R523 HydrophobicContact CG1-CG 4.39Å |
| 471 | L | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 124.1 | 171.8 | -64.6 | 76.2 | 0 | 0 | 0 | 108.5 | F387 L463 A465 L490 T521 W522 V524 L558 | F387-L471 HydrophobicContact CE2-CD2 4.18Å; F387-L471 HydrophobicContact CE2-CG 4.3Å; L463-L471 HydrophobicContact CB-CD2 4.38Å; A465-L471 HydrophobicContact CB-CD1 3.34Å; A465-L471 HydrophobicContact CB-CD2 4.19Å; A465-L471 HydrophobicContact CB-CG 3.96Å; L471-L490 HydrophobicContact CD1-CD1 4.2Å; L471-L490 HydrophobicContact CD2-CD1 4.08Å; L471-T521 WeakPolarHBondContact O-CA 3.49Å; L471-W522 HydrophobicContact CB-CE3 4.27Å; L471-W522 HydrophobicContact CD2-CE3 4.47Å; L471-W522 PolarHBondContact N-O 2.59Å; L471-W522 PolarHBondContact O-N 2.93Å; L471-V524 HydrophobicContact CD1-CG2 3.73Å; L471-L558 HydrophobicContact CD2-CD1 3.82Å |
| 472 | R | 97.8 | Very high | 96.6 | Very high | 102 Ų | 102 | 33.2 Ų | 33.2 | 39% | 0.385 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 107.5 | 170.7 | -173.8 | 169.9 | 59.9 | -176.6 | 2.1 | 108.6 | V384 R385 D386 F387 V519 Y520 | V384-R472 HydrophobicContact CG1-CB 4.37Å; R385-R472 PolarHBondContact O-N 3.46Å; D386-R472 WeakPolarHBondContact CA-O 3.49Å; D386-R472 IonicContact OD1-CZ 3.08Å; D386-R472 IonicContact OD1-NE 2.65Å; D386-R472 PolarHBondContact OD1-NE 2.98Å; D386-R472 IonicContact OD1-NH2 2.74Å; D386-R472 PolarHBondContact OD1-NH2 3.45Å; D386-R472 IonicContact OD2-CZ 3.98Å; D386-R472 IonicContact OD2-NH2 2.97Å; D386-R472 PolarHBondContact OD2-NH2 3.13Å; F387-R472 PolarHBondContact N-O 3.19Å; R472-V519 HydrophobicContact CG-CG1 3.5Å; R472-Y520 CarbonylContact C-O 3.54Å; R472-Y520 VanDerWaalsContact CA-O 3.3Å; R472-Y520 WeakPolarHBondContact CA-O 3.3Å |
| 473 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 107.9 | -176 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | F387 L389 L463 F475 I485 V519 Y520 W522 | F387-V473 HydrophobicContact CB-CG1 4.45Å; F387-V473 HydrophobicContact CB-CG2 4.32Å; F387-V473 HydrophobicContact CD2-CG2 4.35Å; F387-V473 WeakPolarHBondContact O-CA 3.44Å; L389-V473 HydrophobicContact CB-CG1 4.45Å; L389-V473 HydrophobicContact CD1-CG1 3.78Å; L389-V473 HydrophobicContact CG-CG1 3.96Å; L463-V473 HydrophobicContact CD1-CG2 4.3Å; V473-F475 PolarHBondContact O-N 3.45Å; V473-I485 HydrophobicContact CG1-CD1 4.04Å; V473-V519 WeakPolarHBondContact O-CA 3.4Å; V473-Y520 HydrophobicContact CB-CD2 4.4Å; V473-Y520 PolarHBondContact N-O 2.86Å; V473-Y520 PolarHBondContact O-N 2.77Å; V473-W522 HydrophobicContact CB-CH2 4.35Å; V473-W522 HydrophobicContact CB-CZ3 4.39Å; V473-W522 HydrophobicContact CG2-CE3 3.99Å; V473-W522 HydrophobicContact CG2-CH2 3.97Å; V473-W522 HydrophobicContact CG2-CZ3 3.54Å |
| 474 | T | 98.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 32.8 Ų | 32.8 | 6% | 0.055 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 108.6 | 172.9 | -52.7 | 0 | 0 | 0 | 0 | 107.5 | F387 Y388 L389 F446 E517 V519 | F387-T474 PolarHBondContact O-N 3.26Å; Y388-T474 WeakPolarHBondContact CA-O 3.44Å; Y388-T474 HydrophobicContact CD1-CG2 4.2Å; L389-T474 PolarHBondContact N-O 2.65Å; F446-T474 HydrophobicContact CE2-CG2 4.17Å; F446-T474 HydrophobicContact CZ-CG2 3.9Å; T474-E517 HydrophobicContact CG2-CG 3.87Å; T474-E517 VanDerWaalsContact CG2-OE1 3.23Å; T474-E517 WeakPolarHBondContact CG2-OE1 3.41Å; T474-V519 HydrophobicContact CG2-CG2 4.14Å |
| 475 | F | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.8 | -178.2 | 174.4 | -123 | 0 | 0 | 0 | 110.7 | L389 A391 Y438 V473 N477 I485 V512 E517 F518 Y520 | L389-F475 HydrophobicContact CB-CD2 4.45Å; L389-F475 CarbonylContact O-C 3.53Å; L389-F475 VanDerWaalsContact O-CA 3.28Å; L389-F475 WeakPolarHBondContact O-CA 3.44Å; A391-F475 HydrophobicContact CB-CE2 3.7Å; A391-F475 HydrophobicContact CB-CZ 3.73Å; Y438-F475 HydrophobicContact CD1-CE2 4.27Å; Y438-F475 AromaticContact CE1-CE2 3.89Å; Y438-F475 HydrophobicContact CE1-CE2 3.89Å; Y438-F475 HydrophobicContact CE1-CZ 4.44Å; V473-F475 PolarHBondContact O-N 3.45Å; F475-N477 HydrophobicContact CE1-CB 4.18Å; F475-N477 HydrophobicContact CZ-CB 4.22Å; F475-I485 HydrophobicContact CB-CD1 3.82Å; F475-I485 HydrophobicContact CB-CG1 4.29Å; F475-I485 HydrophobicContact CD1-CG1 4.23Å; F475-I485 HydrophobicContact CD2-CD1 3.53Å; F475-I485 HydrophobicContact CD2-CG1 3.92Å; F475-I485 HydrophobicContact CE2-CD1 4.18Å; F475-I485 HydrophobicContact CE2-CG1 4.24Å; F475-I485 HydrophobicContact CG-CD1 3.72Å; F475-I485 HydrophobicContact CG-CG1 3.89Å; F475-V512 HydrophobicContact CD1-CB 4.05Å; F475-V512 HydrophobicContact CD1-CG1 4.15Å; F475-V512 HydrophobicContact CD1-CG2 3.94Å; F475-V512 HydrophobicContact CE1-CB 3.89Å; F475-V512 HydrophobicContact CE1-CG1 4.23Å; F475-V512 HydrophobicContact CE1-CG2 4.16Å; F475-E517 CarbonylContact O-C 3.23Å; F475-E517 WeakPolarHBondContact O-CA 3.47Å; F475-E517 WeakPolarHBondContact O-CG 3.42Å; F475-F518 PolarHBondContact N-O 2.99Å; F475-F518 PolarHBondContact O-N 3.36Å; F475-Y520 HydrophobicContact CB-CD2 4.2Å; F475-Y520 HydrophobicContact CB-CE2 3.7Å; F475-Y520 HydrophobicContact CD1-CE2 4.21Å; F475-Y520 HydrophobicContact CG-CE2 4.27Å |
| 476 | Q | 98 | Very high | 96.9 | Very high | 46 Ų | 46 | 30.2 Ų | 30.2 | 22% | 0.215 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 124.3 | 170.3 | -177.7 | 175.9 | 55 | 0 | 0 | 110.3 | L389 A390 A391 F446 K478 | L389-Q476 PolarHBondContact O-N 3.22Å; A390-Q476 WeakPolarHBondContact CA-O 3.5Å; A390-Q476 HydrophobicContact CB-CB 4.48Å; A390-Q476 VanDerWaalsContact CB-O 3.31Å; A390-Q476 WeakPolarHBondContact CB-O 3.22Å; A391-Q476 PolarHBondContact N-O 3.3Å; F446-Q476 HydrophobicContact CD1-CB 4.07Å; F446-Q476 HydrophobicContact CD2-CB 3.98Å; F446-Q476 HydrophobicContact CD2-CG 4.47Å; F446-Q476 VanDerWaalsContact CD2-OE1 3.27Å; F446-Q476 HydrophobicContact CE1-CB 3.78Å; F446-Q476 HydrophobicContact CE2-CB 3.68Å; F446-Q476 HydrophobicContact CG-CB 4.16Å; F446-Q476 HydrophobicContact CZ-CB 3.58Å; Q476-K478 HydrophobicContact CG-CG 4.12Å; Q476-K478 PolarHBondContact O-N 2.97Å |
| 477 | N | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 107.9 | 174.4 | -170.3 | -3.8 | 0 | 0 | 0 | 110.4 | F475 A479 R481 Y483 V512 G515 K516 | F475-N477 HydrophobicContact CE1-CB 4.18Å; F475-N477 HydrophobicContact CZ-CB 4.22Å; N477-A479 PolarHBondContact OD1-N 3.37Å; N477-R481 PolarHBondContact ND2-O 2.83Å; N477-Y483 PolarHBondContact ND2-N 2.78Å; N477-V512 HydrophobicContact CB-CG1 4.2Å; N477-V512 PolarHBondContact ND2-O 3.11Å; N477-G515 VanDerWaalsContact O-CA 3.28Å; N477-G515 WeakPolarHBondContact O-CA 3.48Å; N477-G515 PolarHBondContact O-N 3.09Å; N477-K516 PolarHBondContact N-O 3.09Å |
| 478 | K | 97.8 | Very high | 97.1 | Very high | 86 Ų | 86 | 25.4 Ų | 25.4 | 37% | 0.374 | 12% | 0.123 | S | C | . | . | trans | -100.8 | 0.4 | 175.8 | -65 | -176.4 | 177.5 | -176.8 | 0 | 112.9 | A390 A391 E392 Y441 F446 Q476 | A390-K478 HydrophobicContact CB-CD 4.07Å; A390-K478 HydrophobicContact CB-CG 4.21Å; A391-K478 CarbonylContact O-C 3.38Å; A391-K478 WeakPolarHBondContact O-CA 3.38Å; A391-K478 WeakPolarHBondContact O-CB 3.28Å; A391-K478 PolarHBondContact O-N 3.08Å; E392-K478 HydrophobicContact CG-CB 3.94Å; E392-K478 HydrophobicContact CG-CD 4.03Å; Y441-K478 PolarHBondContact OH-NZ 3.42Å; F446-K478 PolarHBondContact O-NZ 2.94Å; Q476-K478 HydrophobicContact CG-CG 4.12Å; Q476-K478 PolarHBondContact O-N 2.97Å | ||
| 479 | A | 96.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 24.7 Ų | 24.7 | 5% | 0.05 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -87.6 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A391 E393 V436 N477 Y483 P514 | A391-A479 PolarHBondContact O-N 3.39Å; E393-A479 HydrophobicContact CG-CB 4.16Å; E393-A479 WeakPolarHBondContact OE1-CA 3.42Å; V436-A479 HydrophobicContact CG2-CB 3.81Å; N477-A479 PolarHBondContact OD1-N 3.37Å; A479-Y483 HydrophobicContact CB-CD2 3.99Å; A479-Y483 HydrophobicContact CB-CE2 3.62Å; A479-P514 WeakPolarHBondContact O-CB 3.42Å |
| 480 | N | 94.9 | Very high | 97.2 | Very high | 83 Ų | 83 | 24.7 Ų | 24.7 | 44% | 0.444 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -91 | -3.4 | -173.5 | 73.8 | 39.1 | 0 | 0 | 0 | 115.2 | E393 P514 | E393-N480 VanDerWaalsContact OE1-CB 3.24Å; E393-N480 WeakPolarHBondContact OE1-CB 3.18Å; E393-N480 PolarHBondContact OE1-N 2.77Å; E393-N480 PolarHBondContact OE1-ND2 2.75Å; E393-N480 PolarHBondContact OE2-ND2 3.14Å; N480-P514 VanDerWaalsContact C-CG 3.47Å; N480-P514 WeakPolarHBondContact O-CG 3.45Å |
| 481 | R | 95.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 22.4 Ų | 22.4 | 36% | 0.358 | 10% | 0.104 | S | C | . | . | S | Bend | trans | -122.7 | 161.4 | 177.1 | -44.6 | -171.8 | 67.5 | 81 | -5.7 | 111.2 | N477 Y483 | N477-R481 PolarHBondContact ND2-O 2.83Å; R481-Y483 HydrophobicContact CB-CE1 4.42Å; R481-Y483 HydrophobicContact CB-CE2 4.01Å; R481-Y483 WeakPolarHBondContact O-CD2 3.34Å |
| 482 | S | 97.3 | Very high | 97 | Very high | 33 Ų | 33 | 22.6 Ų | 22.6 | 23% | 0.231 | 11% | 0.105 | C | C | . | . | trans | -71.9 | 134.7 | 172.6 | -49.6 | 0 | 0 | 0 | 0 | 110 | V512 D513 | S482-V512 WeakPolarHBondContact CA-O 3.3Å; S482-D513 PolarHBondContact OG-OD1 3Å | ||
| 483 | Y | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -139.2 | 168.2 | 179.9 | -68.5 | -56.6 | 0 | 0 | 0 | 109.8 | A391 V436 N477 A479 R481 V512 T544 D549 L554 W592 Y593 | A391-Y483 HydrophobicContact CB-CD2 4.27Å; V436-Y483 HydrophobicContact CB-CE2 4.49Å; V436-Y483 HydrophobicContact CG1-CE1 4.41Å; V436-Y483 HydrophobicContact CG1-CE2 4.07Å; V436-Y483 HydrophobicContact CG2-CE2 3.98Å; N477-Y483 PolarHBondContact ND2-N 2.78Å; A479-Y483 HydrophobicContact CB-CD2 3.99Å; A479-Y483 HydrophobicContact CB-CE2 3.62Å; R481-Y483 HydrophobicContact CB-CE1 4.42Å; R481-Y483 HydrophobicContact CB-CE2 4.01Å; R481-Y483 WeakPolarHBondContact O-CD2 3.34Å; Y483-V512 PolarHBondContact N-O 2.87Å; Y483-V512 WeakPolarHBondContact O-CA 2.96Å; Y483-V512 VanDerWaalsContact O-CB 3.22Å; Y483-V512 WeakPolarHBondContact O-CB 3.01Å; Y483-V512 PolarHBondContact O-N 2.94Å; Y483-T544 VanDerWaalsContact C-OG1 3.27Å; Y483-T544 WeakPolarHBondContact CA-OG1 3.5Å; Y483-D549 WeakPolarHBondContact CD1-OD1 3.23Å; Y483-D549 WeakPolarHBondContact CE1-OD1 3.27Å; Y483-L554 HydrophobicContact CD1-CD1 3.35Å; Y483-L554 HydrophobicContact CD2-CD1 3.93Å; Y483-L554 HydrophobicContact CE1-CD1 3.74Å; Y483-L554 HydrophobicContact CE2-CD1 4.27Å; Y483-L554 HydrophobicContact CG-CD1 3.46Å; Y483-L554 VanDerWaalsContact CG-CD1 3.46Å; Y483-W592 AromaticContact CE1-CD1 3.96Å; Y483-Y593 WeakPolarHBondContact OH-CE2 3.38Å; Y483-Y593 PolarHBondContact OH-OH 3.39Å |
| 484 | S | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -135.8 | -176.8 | 178.4 | 73.3 | 0 | 0 | 0 | 0 | 112 | Y438 G498 G509 S510 Y520 S542 A543 T544 | Y438-S484 PolarHBondContact OH-O 3.28Å; S484-G498 WeakPolarHBondContact CB-O 3.22Å; S484-G498 PolarHBondContact OG-O 3.05Å; S484-G509 VanDerWaalsContact CB-O 3.25Å; S484-G509 WeakPolarHBondContact CB-O 3.48Å; S484-S510 WeakPolarHBondContact CB-O 3.31Å; S484-Y520 WeakPolarHBondContact CA-OH 3.15Å; S484-S542 PolarHBondContact N-OG 3.42Å; S484-S542 WeakPolarHBondContact O-CA 3.34Å; S484-S542 VanDerWaalsContact O-CB 3.29Å; S484-S542 WeakPolarHBondContact O-CB 3.45Å; S484-S542 PolarHBondContact O-OG 2.79Å; S484-A543 PolarHBondContact OG-N 2.82Å; S484-T544 PolarHBondContact N-OG1 2.93Å; S484-T544 PolarHBondContact OG-N 3.03Å | ||
| 485 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -134 | 121.4 | 163.4 | -48.7 | -172.2 | 0 | 0 | 0 | 108.9 | L389 Y438 V473 F475 G498 Y520 W522 Y540 Y541 | L389-I485 HydrophobicContact CB-CD1 4.16Å; L389-I485 HydrophobicContact CD1-CD1 3.78Å; Y438-I485 HydrophobicContact CD1-CD1 4.4Å; Y438-I485 HydrophobicContact CE1-CD1 3.9Å; Y438-I485 HydrophobicContact CE1-CG1 3.78Å; V473-I485 HydrophobicContact CG1-CD1 4.04Å; F475-I485 HydrophobicContact CB-CD1 3.82Å; F475-I485 HydrophobicContact CB-CG1 4.29Å; F475-I485 HydrophobicContact CD1-CG1 4.23Å; F475-I485 HydrophobicContact CD2-CD1 3.53Å; F475-I485 HydrophobicContact CD2-CG1 3.92Å; F475-I485 HydrophobicContact CE2-CD1 4.18Å; F475-I485 HydrophobicContact CE2-CG1 4.24Å; F475-I485 HydrophobicContact CG-CD1 3.72Å; F475-I485 HydrophobicContact CG-CG1 3.89Å; I485-G498 WeakPolarHBondContact O-CA 3.22Å; I485-Y520 HydrophobicContact CB-CD2 4.33Å; I485-Y520 HydrophobicContact CB-CE2 3.82Å; I485-Y520 HydrophobicContact CD1-CE2 4.37Å; I485-Y520 HydrophobicContact CG1-CE2 3.96Å; I485-Y520 PolarHBondContact N-OH 2.78Å; I485-Y520 WeakPolarHBondContact O-CE1 3.38Å; I485-W522 HydrophobicContact CB-CH2 4.24Å; I485-W522 HydrophobicContact CB-CZ2 4.41Å; I485-W522 HydrophobicContact CG2-CH2 3.63Å; I485-W522 HydrophobicContact CG2-CZ2 4.21Å; I485-Y540 HydrophobicContact CG2-CD2 3.62Å; I485-Y540 HydrophobicContact CG2-CE2 4.43Å; I485-Y540 HydrophobicContact CG2-CG 4.26Å; I485-Y541 CarbonylContact C-O 3.54Å | ||
| 486 | H | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.5 | 178.7 | -168.6 | 89.1 | 0 | 0 | 0 | 110.7 | F312 H314 Y492 Y540 Y541 A543 | F312-H486 AromaticContact CE1-NE2 3.82Å; F312-H486 AromaticContact CZ-NE2 3.9Å; H314-H486 AromaticContact ND1-CE1 3.69Å; H314-H486 AromaticContact ND1-NE2 3.68Å; H486-Y492 AromaticContact CE1-CZ 3.81Å; H486-Y492 PolarHBondContact CE1-OH 3.22Å; H486-Y492 PolarHBondContact NE2-OH 3.37Å; H486-Y540 CarbonylContact O-C 3.6Å; H486-Y540 WeakPolarHBondContact O-CA 3.49Å; H486-Y540 WeakPolarHBondContact O-CB 3.17Å; H486-Y541 AromaticContact CD2-CZ 3.98Å; H486-Y541 PolarHBondContact N-O 3.43Å; H486-Y541 PolarHBondContact O-N 3.4Å; H486-A543 HydrophobicContact CB-CB 3.7Å |
| 487 | P | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 141.5 | 179.9 | 36.8 | -34.8 | 0 | 0 | 0 | 113 | L490 Y492 W522 L558 | P487-L490 HydrophobicContact CB-CB 4.22Å; P487-L490 HydrophobicContact CB-CD1 3.87Å; P487-L490 HydrophobicContact CB-CG 4.13Å; P487-L490 HydrophobicContact CG-CB 4.2Å; P487-L490 HydrophobicContact CG-CD1 4.39Å; P487-Y492 HydrophobicContact CG-CD1 4.02Å; P487-Y492 HydrophobicContact CG-CE1 3.99Å; P487-W522 HydrophobicContact CB-CD2 4.12Å; P487-W522 HydrophobicContact CB-CE3 4Å; P487-W522 HydrophobicContact CB-CH2 4.25Å; P487-W522 HydrophobicContact CB-CZ2 4.37Å; P487-W522 HydrophobicContact CB-CZ3 4.05Å; P487-W522 HydrophobicContact CG-CD2 3.67Å; P487-W522 HydrophobicContact CG-CE3 4.08Å; P487-W522 HydrophobicContact CG-CG 4.05Å; P487-W522 HydrophobicContact CG-CH2 4.34Å; P487-W522 HydrophobicContact CG-CZ2 3.96Å; P487-W522 HydrophobicContact CG-CZ3 4.38Å; P487-L558 HydrophobicContact CB-CD2 4.35Å |
| 488 | H | 96.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.009 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -75.8 | 155.2 | 154.5 | -83.9 | -95 | 0 | 0 | 0 | 111.2 | F312 D326 T327 L490 Y538 L539 Y541 L558 H679 | F312-H488 AromaticContact CD2-CE1 3.55Å; F312-H488 AromaticContact CD2-ND1 3.67Å; F312-H488 AromaticContact CE2-CE1 3.62Å; F312-H488 AromaticContact CE2-ND1 3.46Å; F312-H488 WeakPolarHBondContact CE2-ND1 3.33Å; F312-H488 AromaticContact CG-CE1 3.84Å; F312-H488 AromaticContact CZ-CE1 3.92Å; F312-H488 AromaticContact CZ-ND1 3.98Å; D326-H488 IonicContact OD1-ND1 3.1Å; D326-H488 VanDerWaalsContact OD2-CA 3.26Å; D326-H488 WeakPolarHBondContact OD2-CA 3.4Å; D326-H488 WeakPolarHBondContact OD2-CB 3.48Å; D326-H488 IonicContact OD2-CE1 2.71Å; D326-H488 IonicContact OD2-CG 3.61Å; D326-H488 VanDerWaalsContact OD2-CG 3.28Å; D326-H488 IonicContact OD2-ND1 3.26Å; D326-H488 PolarHBondContact OD2-ND1 3.1Å; T327-H488 PolarHBondContact OG1-CE1 2.8Å; H488-L490 PolarHBondContact O-N 2.98Å; H488-Y538 HydrophobicContact CB-CD1 3.92Å; H488-Y538 HydrophobicContact CB-CG 4.21Å; H488-L539 VanDerWaalsContact CB-O 3.29Å; H488-L539 WeakPolarHBondContact CB-O 3.47Å; H488-L539 PolarHBondContact N-O 2.91Å; H488-Y541 AromaticContact CD2-CD1 3.98Å; H488-Y541 AromaticContact CD2-CE1 3.45Å; H488-Y541 VanDerWaalsContact CD2-CE1 3.45Å; H488-Y541 WeakPolarHBondContact CD2-CE1 3.42Å; H488-Y541 AromaticContact NE2-CE1 3.36Å; H488-Y541 WeakPolarHBondContact NE2-CE1 3.18Å; H488-L558 WeakPolarHBondContact O-CD2 3.41Å; H488-H679 AromaticContact CD2-ND1 3.96Å; H488-H679 AromaticContact CE1-ND1 3.53Å; H488-H679 AromaticContact NE2-CE1 3.76Å; H488-H679 AromaticContact NE2-CG 3.87Å; H488-H679 AromaticContact NE2-ND1 2.86Å; H488-H679 PolarHBondContact NE2-ND1 2.87Å |
| 489 | G | 94.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 23 Ų | 23 | 4% | 0.041 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 70.7 | 0.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | D326 | D326-G489 PolarHBondContact OD2-N 2.81Š|
| 490 | L | 95.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | trans | -113.7 | 157.6 | -176.6 | -57.2 | -173.6 | 0 | 0 | 0 | 112.9 | L471 P487 H488 W522 V524 L558 V560 | L471-L490 HydrophobicContact CD1-CD1 4.2Å; L471-L490 HydrophobicContact CD2-CD1 4.08Å; P487-L490 HydrophobicContact CB-CB 4.22Å; P487-L490 HydrophobicContact CB-CD1 3.87Å; P487-L490 HydrophobicContact CB-CG 4.13Å; P487-L490 HydrophobicContact CG-CB 4.2Å; P487-L490 HydrophobicContact CG-CD1 4.39Å; H488-L490 PolarHBondContact O-N 2.98Å; L490-W522 HydrophobicContact CB-CB 4.2Å; L490-W522 HydrophobicContact CD1-CB 3.77Å; L490-W522 HydrophobicContact CD1-CD2 4.15Å; L490-W522 HydrophobicContact CD1-CE3 3.66Å; L490-W522 HydrophobicContact CD1-CG 4.25Å; L490-V524 HydrophobicContact CD2-CG2 3.83Å; L490-L558 HydrophobicContact CD1-CD1 4.3Å; L490-L558 HydrophobicContact CD1-CD2 3.69Å; L490-L558 HydrophobicContact CD2-CD2 4.14Å; L490-L558 HydrophobicContact CG-CD2 3.67Å; L490-V560 HydrophobicContact CD2-CG2 3.76Å | ||
| 491 | H | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 136.9 | 176.1 | -53.8 | 87 | 0 | 0 | 0 | 110.6 | G315 M344 R523 L525 E526 | G315-H491 PolarHBondContact O-CD2 2.86Å; M344-H491 HydrophobicContact CG-CB 3.93Å; H491-R523 PolarHBondContact N-O 3.08Å; H491-R523 PolarHBondContact O-N 2.64Å; H491-L525 HydrophobicContact CB-CD1 3.72Å; H491-L525 HydrophobicContact CB-CG 3.88Å; H491-L525 WeakPolarHBondContact ND1-CB 3.46Å; H491-L525 PolarHBondContact ND1-N 2.74Å; H491-E526 IonicContact CE1-OE2 3.54Å; H491-E526 IonicContact NE2-OE2 3.58Å; H491-E526 PolarHBondContact NE2-OE2 2.73Å |
| 492 | Y | 94.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 156.7 | -177.9 | 48 | -93.4 | 0 | 0 | 0 | 111.9 | G315 M344 W348 H486 P487 Q497 | G315-Y492 PolarHBondContact N-OH 3.47Å; M344-Y492 WeakPolarHBondContact CE-O 3.26Å; W348-Y492 HydrophobicContact CH2-CD2 4.14Å; W348-Y492 HydrophobicContact CH2-CE2 4.01Å; W348-Y492 WeakPolarHBondContact CH2-O 3.4Å; W348-Y492 HydrophobicContact CZ3-CD2 4.14Å; W348-Y492 AromaticContact CZ3-CE2 3.53Å; W348-Y492 HydrophobicContact CZ3-CE2 3.53Å; H486-Y492 AromaticContact CE1-CZ 3.81Å; H486-Y492 PolarHBondContact CE1-OH 3.22Å; H486-Y492 PolarHBondContact NE2-OH 3.37Å; P487-Y492 HydrophobicContact CG-CD1 4.02Å; P487-Y492 HydrophobicContact CG-CE1 3.99Å; Y492-Q497 HydrophobicContact CD2-CB 4.17Å; Y492-Q497 HydrophobicContact CE2-CB 3.86Å; Y492-Q497 HydrophobicContact CE2-CG 3.86Å |
| 493 | E | 92.5 | Very high | 94.3 | Very high | 93 Ų | 93 | 22.6 Ų | 22.6 | 44% | 0.435 | 11% | 0.114 | S | C | . | . | trans | -80 | 154.4 | 168.6 | -65.2 | 175 | -153.5 | 0 | 0 | 108.9 | M344 H495 F496 R523 | M344-E493 HydrophobicContact CE-CG 3.69Å; E493-H495 VanDerWaalsContact C-N 3.27Å; E493-H495 PolarHBondContact O-N 3.19Å; E493-F496 HydrophobicContact CB-CD2 4.08Å; E493-F496 HydrophobicContact CB-CE2 4.47Å; E493-F496 PolarHBondContact O-N 2.99Å; E493-R523 IonicContact OE1-NH2 2.66Å; E493-R523 PolarHBondContact OE1-NH2 2.86Å | ||
| 494 | K | 92.1 | Very high | 93.7 | Very high | 27 Ų | 27 | 26.5 Ų | 26.5 | 12% | 0.117 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -53.5 | -41.4 | -174.7 | -75.5 | -61.1 | -167.8 | 161.8 | 0 | 114.3 | K347 W348 F496 Q497 Y501 D503 S505 N507 | K347-K494 WeakPolarHBondContact O-CE 3.45Å; K347-K494 PolarHBondContact O-NZ 2.86Å; W348-K494 HydrophobicContact CH2-CD 4.27Å; W348-K494 HydrophobicContact CZ3-CD 4.37Å; K494-F496 PolarHBondContact O-N 3.33Å; K494-Q497 WeakPolarHBondContact O-CB 3.33Å; K494-Q497 PolarHBondContact O-N 3.24Å; K494-Y501 PolarHBondContact NZ-OH 3.18Å; K494-D503 WeakPolarHBondContact CD-OD2 3.39Å; K494-D503 WeakPolarHBondContact CE-OD2 3.43Å; K494-D503 IonicContact NZ-OD2 3.68Å; K494-D503 PolarHBondContact NZ-OD2 2.74Å; K494-S505 WeakPolarHBondContact CB-OG 3.23Å; K494-N507 VanDerWaalsContact C-OD1 3.32Å; K494-N507 PolarHBondContact O-OD1 2.74Å |
| 495 | H | 92.9 | Very high | 93.1 | Very high | 84 Ų | 84 | 28.6 Ų | 28.6 | 39% | 0.389 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -53.3 | -28.9 | 174.9 | -176.2 | 74.3 | 0 | 0 | 0 | 114.9 | E493 P508 F518 | E493-H495 VanDerWaalsContact C-N 3.27Å; E493-H495 PolarHBondContact O-N 3.19Å; H495-P508 WeakPolarHBondContact CE1-CG 3.35Å; H495-F518 WeakPolarHBondContact O-CZ 3.4Å |
| 496 | F | 94.7 | Very high | 92.5 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 16% | 0.158 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -99.6 | 13.7 | -179.6 | -55 | -63 | 0 | 0 | 0 | 113.5 | E493 K494 F518 T521 W522 | E493-F496 HydrophobicContact CB-CD2 4.08Å; E493-F496 HydrophobicContact CB-CE2 4.47Å; E493-F496 PolarHBondContact O-N 2.99Å; K494-F496 PolarHBondContact O-N 3.33Å; F496-F518 HydrophobicContact CD1-CE1 4.23Å; F496-F518 HydrophobicContact CD1-CZ 4.13Å; F496-T521 WeakPolarHBondContact CD2-O 3.42Å; F496-W522 PolarHBondContact O-NE1 3.29Å |
| 497 | Q | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -73.3 | 130.7 | 175.7 | -175.4 | 176.1 | -72.2 | 0 | 0 | 110.4 | Y492 K494 T499 Y501 G509 S510 | Y492-Q497 HydrophobicContact CD2-CB 4.17Å; Y492-Q497 HydrophobicContact CE2-CB 3.86Å; Y492-Q497 HydrophobicContact CE2-CG 3.86Å; K494-Q497 WeakPolarHBondContact O-CB 3.33Å; K494-Q497 PolarHBondContact O-N 3.24Å; Q497-T499 HydrophobicContact CG-CG2 3.68Å; Q497-T499 PolarHBondContact NE2-O 2.91Å; Q497-Y501 VanDerWaalsContact NE2-CZ 3.28Å; Q497-Y501 PolarHBondContact OE1-OH 3.25Å; Q497-G509 CarbonylContact O-C 3.57Å; Q497-S510 PolarHBondContact O-N 2.82Å | ||
| 498 | G | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -87 | 2.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | S484 I485 | S484-G498 WeakPolarHBondContact CB-O 3.22Å; S484-G498 PolarHBondContact OG-O 3.05Å; I485-G498 WeakPolarHBondContact O-CA 3.22Å |
| 499 | T | 93.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 37.4 Ų | 37.4 | 8% | 0.08 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -124 | 151.4 | -178.9 | -175 | 0 | 0 | 0 | 0 | 110.3 | Q497 Y501 S510 | Q497-T499 HydrophobicContact CG-CG2 3.68Å; Q497-T499 PolarHBondContact NE2-O 2.91Å; T499-Y501 HydrophobicContact CG2-CD1 3.85Å; T499-Y501 HydrophobicContact CG2-CE1 3.54Å; T499-S510 VanDerWaalsContact C-CB 3.43Å; T499-S510 WeakPolarHBondContact O-CB 3.48Å |
| 500 | S | 90.6 | Very high | 91.5 | Very high | 68 Ų | 68 | 37.5 Ų | 37.5 | 48% | 0.476 | 22% | 0.219 | S | C | . | . | trans | -108.3 | 129.7 | -179 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | H511 | S500-H511 WeakPolarHBondContact CB-CE1 2.86Š| ||
| 501 | Y | 92.7 | Very high | 91.5 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | trans | -160.6 | 160.1 | 169.6 | 51.6 | -101.1 | 0 | 0 | 0 | 109.9 | L49 L349 F365 K494 Q497 T499 D503 | L49-Y501 CarbonylContact O-C 3.58Å; L49-Y501 WeakPolarHBondContact O-CA 3.24Å; L349-Y501 HydrophobicContact CB-CD1 4.07Å; L349-Y501 HydrophobicContact CB-CE1 3.59Å; L349-Y501 HydrophobicContact CB-CE2 4.21Å; L349-Y501 HydrophobicContact CD2-CD1 3.79Å; L349-Y501 HydrophobicContact CD2-CE1 3.97Å; L349-Y501 HydrophobicContact CD2-CG 4.49Å; L349-Y501 HydrophobicContact CG-CD1 4.46Å; L349-Y501 HydrophobicContact CG-CE1 4.4Å; L349-Y501 PolarHBondContact N-OH 3.04Å; F365-Y501 AromaticContact CE1-CD2 3.72Å; F365-Y501 HydrophobicContact CE1-CD2 3.72Å; F365-Y501 HydrophobicContact CE1-CE2 4.22Å; F365-Y501 HydrophobicContact CE1-CG 4.36Å; K494-Y501 PolarHBondContact NZ-OH 3.18Å; Q497-Y501 VanDerWaalsContact NE2-CZ 3.28Å; Q497-Y501 PolarHBondContact OE1-OH 3.25Å; T499-Y501 HydrophobicContact CG2-CD1 3.85Å; T499-Y501 HydrophobicContact CG2-CE1 3.54Å; Y501-D503 HydrophobicContact CD2-CB 3.75Å; Y501-D503 HydrophobicContact CE2-CB 3.63Å; Y501-D503 WeakPolarHBondContact CE2-OD2 3.28Å; Y501-D503 PolarHBondContact O-N 2.92Å | ||
| 502 | E | 89.9 | Confident | 91.6 | Very high | 102 Ų | 102 | 41.5 Ų | 41.5 | 48% | 0.477 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -68.7 | 84.4 | -179.1 | -75.6 | -62.5 | 143 | 0 | 0 | 112.4 | L49 K347 | L49-E502 WeakPolarHBondContact O-CG 3.39Å; L49-E502 PolarHBondContact O-N 2.95Å; K347-E502 PolarHBondContact NZ-O 3.24Å |
| 503 | D | 87.3 | Confident | 91.7 | Very high | 24 Ų | 24 | 45.4 Ų | 45.4 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -115.5 | 1.1 | 174.6 | 67.8 | 12.7 | 0 | 0 | 0 | 114.9 | K347 K494 Y501 S505 N507 | K347-D503 HydrophobicContact CB-CB 4.24Å; K347-D503 HydrophobicContact CD-CB 4.43Å; K494-D503 WeakPolarHBondContact CD-OD2 3.39Å; K494-D503 WeakPolarHBondContact CE-OD2 3.43Å; K494-D503 IonicContact NZ-OD2 3.68Å; K494-D503 PolarHBondContact NZ-OD2 2.74Å; Y501-D503 HydrophobicContact CD2-CB 3.75Å; Y501-D503 HydrophobicContact CE2-CB 3.63Å; Y501-D503 WeakPolarHBondContact CE2-OD2 3.28Å; Y501-D503 PolarHBondContact O-N 2.92Å; D503-S505 VanDerWaalsContact C-N 3.28Å; D503-S505 PolarHBondContact O-N 2.74Å; D503-S505 WeakPolarHBondContact OD1-CB 3.45Å; D503-S505 PolarHBondContact OD1-N 2.92Å; D503-S505 PolarHBondContact OD1-OG 3.13Å; D503-S505 PolarHBondContact OD2-OG 3.33Å; D503-N507 PolarHBondContact OD1-ND2 2.79Å |
| 504 | G | 84.9 | Confident | 92 | Very high | 82 Ų | 82 | 43.8 Ų | 43.8 | 85% | 0.845 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 74 | 14 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 505 | S | 86.4 | Confident | 92.2 | Very high | 45 Ų | 45 | 45.4 Ų | 45.4 | 32% | 0.315 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -112.3 | 155.2 | 177.2 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | K494 D503 N507 | K494-S505 WeakPolarHBondContact CB-OG 3.23Å; D503-S505 VanDerWaalsContact C-N 3.28Å; D503-S505 PolarHBondContact O-N 2.74Å; D503-S505 WeakPolarHBondContact OD1-CB 3.45Å; D503-S505 PolarHBondContact OD1-N 2.92Å; D503-S505 PolarHBondContact OD1-OG 3.13Å; D503-S505 PolarHBondContact OD2-OG 3.33Å; S505-N507 PolarHBondContact OG-ND2 2.8Å; S505-N507 PolarHBondContact OG-OD1 3.25Å; S505-N507 VanDerWaalsContact OG-OD1 3.05Å |
| 506 | D | 85.7 | Confident | 92.4 | Very high | 125 Ų | 125 | 47.3 Ų | 47.3 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | trans | -85.5 | 113.3 | 174.8 | -177.6 | 23.6 | 0 | 0 | 0 | 109.6 | P508 | D506-P508 WeakPolarHBondContact O-CD 3.19Š| ||
| 507 | N | 87.3 | Confident | 92.5 | Very high | 13 Ų | 13 | 50 Ų | 50 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | trans | -117.4 | 64.7 | -172.6 | -60.9 | -32.8 | 0 | 0 | 0 | 110.8 | K494 D503 S505 G509 S510 | K494-N507 VanDerWaalsContact C-OD1 3.32Å; K494-N507 PolarHBondContact O-OD1 2.74Å; D503-N507 PolarHBondContact OD1-ND2 2.79Å; S505-N507 PolarHBondContact OG-ND2 2.8Å; S505-N507 PolarHBondContact OG-OD1 3.25Å; S505-N507 VanDerWaalsContact OG-OD1 3.05Å; N507-G509 PolarHBondContact O-N 2.66Å; N507-G509 VanDerWaalsContact O-N 3.14Å; N507-S510 WeakPolarHBondContact O-CB 3.44Å; N507-S510 PolarHBondContact O-N 3.2Å; N507-S510 PolarHBondContact O-OG 3.38Å | ||
| 508 | P | 90.9 | Very high | 92.7 | Very high | 49 Ų | 49 | 51.4 Ų | 51.4 | 32% | 0.318 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -65.1 | -19.5 | -175.5 | 26.1 | -34.3 | 0 | 0 | 0 | 113.4 | H495 D506 S510 F518 | H495-P508 WeakPolarHBondContact CE1-CG 3.35Å; D506-P508 WeakPolarHBondContact O-CD 3.19Å; P508-S510 VanDerWaalsContact C-N 3.27Å; P508-S510 PolarHBondContact O-N 3.04Å; P508-F518 HydrophobicContact CB-CE2 4.19Å; P508-F518 HydrophobicContact CG-CE2 3.79Å; P508-F518 HydrophobicContact CG-CZ 4.31Å |
| 509 | G | 91.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -73.7 | -12.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S484 Q497 N507 H511 Y520 | S484-G509 VanDerWaalsContact CB-O 3.25Å; S484-G509 WeakPolarHBondContact CB-O 3.48Å; Q497-G509 CarbonylContact O-C 3.57Å; N507-G509 PolarHBondContact O-N 2.66Å; N507-G509 VanDerWaalsContact O-N 3.14Å; G509-H511 VanDerWaalsContact C-N 3.29Å; G509-H511 PolarHBondContact O-N 2.95Å; G509-Y520 PolarHBondContact O-OH 3.02Å |
| 510 | S | 94.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -75.5 | -18.9 | -179.8 | 67.5 | 0 | 0 | 0 | 0 | 113.8 | S484 Q497 T499 N507 P508 T544 | S484-S510 WeakPolarHBondContact CB-O 3.31Å; Q497-S510 PolarHBondContact O-N 2.82Å; T499-S510 VanDerWaalsContact C-CB 3.43Å; T499-S510 WeakPolarHBondContact O-CB 3.48Å; N507-S510 WeakPolarHBondContact O-CB 3.44Å; N507-S510 PolarHBondContact O-N 3.2Å; N507-S510 PolarHBondContact O-OG 3.38Å; P508-S510 VanDerWaalsContact C-N 3.27Å; P508-S510 PolarHBondContact O-N 3.04Å; S510-T544 PolarHBondContact O-OG1 3.36Å |
| 511 | H | 94.8 | Very high | 93.4 | Very high | 82 Ų | 82 | 51.7 Ų | 51.7 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | trans | -148.1 | 87.2 | -174.5 | -71.7 | 68.4 | 0 | 0 | 0 | 109.2 | S500 G509 | S500-H511 WeakPolarHBondContact CB-CE1 2.86Å; G509-H511 VanDerWaalsContact C-N 3.29Å; G509-H511 PolarHBondContact O-N 2.95Å | ||
| 512 | V | 97.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -92.3 | 109 | 178.1 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | F475 N477 S482 Y483 K516 F518 | F475-V512 HydrophobicContact CD1-CB 4.05Å; F475-V512 HydrophobicContact CD1-CG1 4.15Å; F475-V512 HydrophobicContact CD1-CG2 3.94Å; F475-V512 HydrophobicContact CE1-CB 3.89Å; F475-V512 HydrophobicContact CE1-CG1 4.23Å; F475-V512 HydrophobicContact CE1-CG2 4.16Å; N477-V512 HydrophobicContact CB-CG1 4.2Å; N477-V512 PolarHBondContact ND2-O 3.11Å; S482-V512 WeakPolarHBondContact CA-O 3.3Å; Y483-V512 PolarHBondContact N-O 2.87Å; Y483-V512 WeakPolarHBondContact O-CA 2.96Å; Y483-V512 VanDerWaalsContact O-CB 3.22Å; Y483-V512 WeakPolarHBondContact O-CB 3.01Å; Y483-V512 PolarHBondContact O-N 2.94Å; V512-K516 HydrophobicContact CG1-CB 3.96Å; V512-F518 HydrophobicContact CG1-CB 4.31Å; V512-F518 HydrophobicContact CG2-CB 3.64Å; V512-F518 HydrophobicContact CG2-CG 4.36Å |
| 513 | D | 97.6 | Very high | 93.8 | Very high | 85 Ų | 85 | 51.1 Ų | 51.1 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | trans | -63.9 | 158.1 | -176.1 | -67.2 | -32.8 | 0 | 0 | 0 | 114 | S482 G515 K516 | S482-D513 PolarHBondContact OG-OD1 3Å; D513-G515 PolarHBondContact O-N 2.83Å; D513-K516 HydrophobicContact CB-CG 3.78Å; D513-K516 VanDerWaalsContact O-CB 3.24Å; D513-K516 WeakPolarHBondContact O-CB 3.44Å; D513-K516 WeakPolarHBondContact O-CG 3.47Å; D513-K516 PolarHBondContact O-N 2.97Å | ||
| 514 | P | 97.9 | Very high | 94.2 | Very high | 59 Ų | 59 | 50 Ų | 50 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 128.9 | 173.7 | -31.6 | 38.2 | 0 | 0 | 0 | 113.5 | A479 N480 K516 | A479-P514 WeakPolarHBondContact O-CB 3.42Å; N480-P514 VanDerWaalsContact C-CG 3.47Å; N480-P514 WeakPolarHBondContact O-CG 3.45Å; P514-K516 PolarHBondContact O-N 2.96Å |
| 515 | G | 96.6 | Very high | 94.6 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 62% | 0.619 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 2.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N477 D513 | N477-G515 VanDerWaalsContact O-CA 3.28Å; N477-G515 WeakPolarHBondContact O-CA 3.48Å; N477-G515 PolarHBondContact O-N 3.09Å; D513-G515 PolarHBondContact O-N 2.83Å |
| 516 | K | 97.5 | Very high | 94.9 | Very high | 125 Ų | 125 | 47.2 Ų | 47.2 | 54% | 0.543 | 26% | 0.255 | S | S | . | . | trans | -91.1 | 163.4 | 174.7 | -56.9 | -58 | -176.2 | 179 | 0 | 111.8 | N477 V512 D513 P514 | N477-K516 PolarHBondContact N-O 3.09Å; V512-K516 HydrophobicContact CG1-CB 3.96Å; D513-K516 HydrophobicContact CB-CG 3.78Å; D513-K516 VanDerWaalsContact O-CB 3.24Å; D513-K516 WeakPolarHBondContact O-CB 3.44Å; D513-K516 WeakPolarHBondContact O-CG 3.47Å; D513-K516 PolarHBondContact O-N 2.97Å; P514-K516 PolarHBondContact O-N 2.96Å | ||
| 517 | E | 96.8 | Very high | 95.3 | Very high | 93 Ų | 93 | 41.5 Ų | 41.5 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.4 | 176.7 | -174.9 | -176.6 | 121.9 | 0 | 0 | 109.4 | T474 F475 | T474-E517 HydrophobicContact CG2-CG 3.87Å; T474-E517 VanDerWaalsContact CG2-OE1 3.23Å; T474-E517 WeakPolarHBondContact CG2-OE1 3.41Å; F475-E517 CarbonylContact O-C 3.23Å; F475-E517 WeakPolarHBondContact O-CA 3.47Å; F475-E517 WeakPolarHBondContact O-CG 3.42Å |
| 518 | F | 97.8 | Very high | 95.7 | Very high | 28 Ų | 28 | 41.3 Ų | 41.3 | 12% | 0.123 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145.2 | 171.4 | -172.5 | -100.3 | 0 | 0 | 0 | 110.5 | F475 H495 F496 P508 V512 Y520 | F475-F518 PolarHBondContact N-O 2.99Å; F475-F518 PolarHBondContact O-N 3.36Å; H495-F518 WeakPolarHBondContact O-CZ 3.4Å; F496-F518 HydrophobicContact CD1-CE1 4.23Å; F496-F518 HydrophobicContact CD1-CZ 4.13Å; P508-F518 HydrophobicContact CB-CE2 4.19Å; P508-F518 HydrophobicContact CG-CE2 3.79Å; P508-F518 HydrophobicContact CG-CZ 4.31Å; V512-F518 HydrophobicContact CG1-CB 4.31Å; V512-F518 HydrophobicContact CG2-CB 3.64Å; V512-F518 HydrophobicContact CG2-CG 4.36Å; F518-Y520 AromaticContact CD1-CD1 3.7Å; F518-Y520 HydrophobicContact CD1-CD1 3.7Å; F518-Y520 AromaticContact CD1-CD2 3.94Å; F518-Y520 HydrophobicContact CD1-CD2 3.94Å; F518-Y520 AromaticContact CD1-CE1 3.55Å; F518-Y520 HydrophobicContact CD1-CE1 3.55Å; F518-Y520 AromaticContact CD1-CE2 3.81Å; F518-Y520 HydrophobicContact CD1-CE2 3.81Å; F518-Y520 AromaticContact CD1-CG 3.89Å; F518-Y520 HydrophobicContact CD1-CG 3.89Å; F518-Y520 AromaticContact CD1-CZ 3.6Å; F518-Y520 AromaticContact CE1-CD1 3.54Å; F518-Y520 HydrophobicContact CE1-CD1 3.54Å; F518-Y520 AromaticContact CE1-CE1 3.65Å; F518-Y520 HydrophobicContact CE1-CE1 3.65Å; F518-Y520 AromaticContact CE1-CG 4Å; F518-Y520 HydrophobicContact CE1-CG 4Å |
| 519 | V | 97.9 | Very high | 95.9 | Very high | 51 Ų | 51 | 40 Ų | 40 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 104 | -179.4 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | R472 V473 T474 | R472-V519 HydrophobicContact CG-CG1 3.5Å; V473-V519 WeakPolarHBondContact O-CA 3.4Å; T474-V519 HydrophobicContact CG2-CG2 4.14Å |
| 520 | Y | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 142.3 | 174.2 | -57.8 | -86.4 | 0 | 0 | 0 | 110.9 | R472 V473 F475 S484 I485 G509 F518 W522 | R472-Y520 CarbonylContact C-O 3.54Å; R472-Y520 VanDerWaalsContact CA-O 3.3Å; R472-Y520 WeakPolarHBondContact CA-O 3.3Å; V473-Y520 HydrophobicContact CB-CD2 4.4Å; V473-Y520 PolarHBondContact N-O 2.86Å; V473-Y520 PolarHBondContact O-N 2.77Å; F475-Y520 HydrophobicContact CB-CD2 4.2Å; F475-Y520 HydrophobicContact CB-CE2 3.7Å; F475-Y520 HydrophobicContact CD1-CE2 4.21Å; F475-Y520 HydrophobicContact CG-CE2 4.27Å; S484-Y520 WeakPolarHBondContact CA-OH 3.15Å; I485-Y520 HydrophobicContact CB-CD2 4.33Å; I485-Y520 HydrophobicContact CB-CE2 3.82Å; I485-Y520 HydrophobicContact CD1-CE2 4.37Å; I485-Y520 HydrophobicContact CG1-CE2 3.96Å; I485-Y520 PolarHBondContact N-OH 2.78Å; I485-Y520 WeakPolarHBondContact O-CE1 3.38Å; G509-Y520 PolarHBondContact O-OH 3.02Å; F518-Y520 AromaticContact CD1-CD1 3.7Å; F518-Y520 HydrophobicContact CD1-CD1 3.7Å; F518-Y520 AromaticContact CD1-CD2 3.94Å; F518-Y520 HydrophobicContact CD1-CD2 3.94Å; F518-Y520 AromaticContact CD1-CE1 3.55Å; F518-Y520 HydrophobicContact CD1-CE1 3.55Å; F518-Y520 AromaticContact CD1-CE2 3.81Å; F518-Y520 HydrophobicContact CD1-CE2 3.81Å; F518-Y520 AromaticContact CD1-CG 3.89Å; F518-Y520 HydrophobicContact CD1-CG 3.89Å; F518-Y520 AromaticContact CD1-CZ 3.6Å; F518-Y520 AromaticContact CE1-CD1 3.54Å; F518-Y520 HydrophobicContact CE1-CD1 3.54Å; F518-Y520 AromaticContact CE1-CE1 3.65Å; F518-Y520 HydrophobicContact CE1-CE1 3.65Å; F518-Y520 AromaticContact CE1-CG 4Å; F518-Y520 HydrophobicContact CE1-CG 4Å; Y520-W522 AromaticContact CD1-CZ2 3.96Å; Y520-W522 HydrophobicContact CD1-CZ2 3.96Å; Y520-W522 HydrophobicContact CD2-CZ2 4.27Å; Y520-W522 AromaticContact CG-CZ2 3.7Å; Y520-W522 HydrophobicContact CG-CZ2 3.7Å |
| 521 | T | 97.2 | Very high | 95.7 | Very high | 37 Ų | 37 | 46.8 Ų | 46.8 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 111.9 | 171.1 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | I470 L471 F496 | I470-T521 HydrophobicContact CG2-CG2 3.7Å; L471-T521 WeakPolarHBondContact O-CA 3.49Å; F496-T521 WeakPolarHBondContact CD2-O 3.42Å |
| 522 | W | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 151.6 | 179.8 | -50.3 | -38 | 0 | 0 | 0 | 111 | L463 I470 L471 V473 I485 P487 L490 F496 Y520 | L463-W522 HydrophobicContact CD1-CZ3 4.07Å; I470-W522 CarbonylContact C-O 3.55Å; I470-W522 WeakPolarHBondContact CA-O 3.28Å; I470-W522 WeakPolarHBondContact CG2-O 3.29Å; L471-W522 HydrophobicContact CB-CE3 4.27Å; L471-W522 HydrophobicContact CD2-CE3 4.47Å; L471-W522 PolarHBondContact N-O 2.59Å; L471-W522 PolarHBondContact O-N 2.93Å; V473-W522 HydrophobicContact CB-CH2 4.35Å; V473-W522 HydrophobicContact CB-CZ3 4.39Å; V473-W522 HydrophobicContact CG2-CE3 3.99Å; V473-W522 HydrophobicContact CG2-CH2 3.97Å; V473-W522 HydrophobicContact CG2-CZ3 3.54Å; I485-W522 HydrophobicContact CB-CH2 4.24Å; I485-W522 HydrophobicContact CB-CZ2 4.41Å; I485-W522 HydrophobicContact CG2-CH2 3.63Å; I485-W522 HydrophobicContact CG2-CZ2 4.21Å; P487-W522 HydrophobicContact CB-CD2 4.12Å; P487-W522 HydrophobicContact CB-CE3 4Å; P487-W522 HydrophobicContact CB-CH2 4.25Å; P487-W522 HydrophobicContact CB-CZ2 4.37Å; P487-W522 HydrophobicContact CB-CZ3 4.05Å; P487-W522 HydrophobicContact CG-CD2 3.67Å; P487-W522 HydrophobicContact CG-CE3 4.08Å; P487-W522 HydrophobicContact CG-CG 4.05Å; P487-W522 HydrophobicContact CG-CH2 4.34Å; P487-W522 HydrophobicContact CG-CZ2 3.96Å; P487-W522 HydrophobicContact CG-CZ3 4.38Å; L490-W522 HydrophobicContact CB-CB 4.2Å; L490-W522 HydrophobicContact CD1-CB 3.77Å; L490-W522 HydrophobicContact CD1-CD2 4.15Å; L490-W522 HydrophobicContact CD1-CE3 3.66Å; L490-W522 HydrophobicContact CD1-CG 4.25Å; F496-W522 PolarHBondContact O-NE1 3.29Å; Y520-W522 AromaticContact CD1-CZ2 3.96Å; Y520-W522 HydrophobicContact CD1-CZ2 3.96Å; Y520-W522 HydrophobicContact CD2-CZ2 4.27Å; Y520-W522 AromaticContact CG-CZ2 3.7Å; Y520-W522 HydrophobicContact CG-CZ2 3.7Å |
| 523 | R | 95.7 | Very high | 95.4 | Very high | 102 Ų | 102 | 45.1 Ų | 45.1 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.4 | -177.3 | -55.8 | -172.5 | -172.4 | 179 | 10.4 | 110.3 | I470 H491 E493 L525 | I470-R523 HydrophobicContact CG1-CG 4.39Å; H491-R523 PolarHBondContact N-O 3.08Å; H491-R523 PolarHBondContact O-N 2.64Å; E493-R523 IonicContact OE1-NH2 2.66Å; E493-R523 PolarHBondContact OE1-NH2 2.86Å; R523-L525 HydrophobicContact CB-CD2 4.02Å; R523-L525 HydrophobicContact CB-CG 4.18Å; R523-L525 PolarHBondContact O-N 2.74Å |
| 524 | V | 95.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | trans | -93.2 | 83.9 | 170.7 | -170.1 | 0 | 0 | 0 | 0 | 108.4 | A465 G468 D469 L471 L490 V560 | A465-V524 HydrophobicContact CB-CG2 3.63Å; G468-V524 WeakPolarHBondContact CA-O 3.18Å; G468-V524 PolarHBondContact N-O 3.29Å; D469-V524 PolarHBondContact O-N 2.89Å; L471-V524 HydrophobicContact CD1-CG2 3.73Å; L490-V524 HydrophobicContact CD2-CG2 3.83Å; V524-V560 HydrophobicContact CG1-CG1 3.49Å; V524-V560 VanDerWaalsContact CG1-CG1 3.49Å | ||
| 525 | L | 93.5 | Very high | 95.2 | Very high | 47 Ų | 47 | 40.9 Ų | 40.9 | 25% | 0.246 | 24% | 0.238 | C | C | . | . | trans | -80.9 | -21.8 | 178.8 | -54.7 | 178.7 | 0 | 0 | 0 | 112.6 | K343 M344 H491 R523 | K343-L525 HydrophobicContact CB-CD1 3.89Å; K343-L525 HydrophobicContact CG-CD1 4.39Å; M344-L525 HydrophobicContact SD-CD1 4.07Å; H491-L525 HydrophobicContact CB-CD1 3.72Å; H491-L525 HydrophobicContact CB-CG 3.88Å; H491-L525 WeakPolarHBondContact ND1-CB 3.46Å; H491-L525 PolarHBondContact ND1-N 2.74Å; R523-L525 HydrophobicContact CB-CD2 4.02Å; R523-L525 HydrophobicContact CB-CG 4.18Å; R523-L525 PolarHBondContact O-N 2.74Å | ||
| 526 | E | 93.2 | Very high | 95.2 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 10% | 0.098 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -135.8 | 133.1 | 177.2 | -63.3 | 178.5 | 97.3 | 0 | 0 | 108.9 | T317 R324 K343 H491 | T317-E526 PolarHBondContact OG1-OE2 2.97Å; R324-E526 IonicContact CZ-OE1 3.61Å; R324-E526 VanDerWaalsContact CZ-OE1 3.29Å; R324-E526 VanDerWaalsContact NH1-CD 3.35Å; R324-E526 IonicContact NH1-OE1 3.55Å; R324-E526 PolarHBondContact NH1-OE1 2.74Å; R324-E526 IonicContact NH1-OE2 2.66Å; R324-E526 IonicContact NH2-OE1 3.99Å; R324-E526 PolarHBondContact NH2-OE1 3.39Å; K343-E526 VanDerWaalsContact CE-OE2 3.29Å; K343-E526 WeakPolarHBondContact CE-OE2 3.18Å; K343-E526 IonicContact NZ-OE1 2.72Å; H491-E526 IonicContact CE1-OE2 3.54Å; H491-E526 IonicContact NE2-OE2 3.58Å; H491-E526 PolarHBondContact NE2-OE2 2.73Å |
| 527 | G | 92.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 33 Ų | 33 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | trans | -112.1 | -166.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 528 | P | 95.9 | Very high | 95.2 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 7% | 0.065 | 17% | 0.168 | C | C | . | . | trans | -54.6 | 138.5 | 175.1 | -22.6 | 32 | 0 | 0 | 0 | 112.2 | D532 S533 I536 V560 K562 | P528-D532 HydrophobicContact CB-CB 3.65Å; P528-S533 WeakPolarHBondContact CB-O 3.36Å; P528-I536 HydrophobicContact CB-CD1 4.35Å; P528-I536 HydrophobicContact CB-CG2 4Å; P528-I536 HydrophobicContact CG-CB 4.48Å; P528-I536 HydrophobicContact CG-CD1 4.09Å; P528-I536 HydrophobicContact CG-CG1 3.99Å; P528-I536 HydrophobicContact CG-CG2 4.08Å; P528-V560 WeakPolarHBondContact CG-O 3.42Å; P528-K562 HydrophobicContact CB-CG 3.93Å; P528-K562 HydrophobicContact CG-CG 4.06Å | ||
| 529 | S | 94.3 | Very high | 95.2 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 14% | 0.14 | 16% | 0.162 | C | C | . | . | trans | -67.3 | 176.3 | 176 | 90.4 | 0 | 0 | 0 | 0 | 112.2 | G322 S531 D532 K562 | G322-S529 WeakPolarHBondContact O-CB 3.44Å; G322-S529 PolarHBondContact O-OG 3.3Å; S529-S531 PolarHBondContact O-N 3.25Å; S529-S531 PolarHBondContact OG-N 2.61Å; S529-D532 WeakPolarHBondContact CB-OD2 3.4Å; S529-D532 PolarHBondContact N-OD2 2.79Å; S529-D532 PolarHBondContact O-N 3.34Å; S529-D532 PolarHBondContact OG-N 3.14Å; S529-D532 PolarHBondContact OG-OD2 3.32Å; S529-K562 WeakPolarHBondContact O-CE 3.25Å; S529-K562 PolarHBondContact O-NZ 3.01Å | ||
| 530 | S | 91.4 | Very high | 95.2 | Very high | 115 Ų | 115 | 25.1 Ų | 25.1 | 80% | 0.804 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -61.1 | -33.5 | 172.1 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 531 | S | 90.9 | Very high | 95.2 | Very high | 36 Ų | 36 | 25.3 Ų | 25.3 | 25% | 0.252 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -80.3 | -21.4 | 179.6 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | S529 D1012 H1013 | S529-S531 PolarHBondContact O-N 3.25Å; S529-S531 PolarHBondContact OG-N 2.61Å; S531-D1012 WeakPolarHBondContact CB-OD2 3.32Å; S531-H1013 PolarHBondContact OG-NE2 3.27Å |
| 532 | D | 93.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -73.9 | 156.5 | 179.2 | -67.7 | -35.6 | 0 | 0 | 0 | 113.5 | H323 R324 P528 S529 I536 K562 | H323-D532 WeakPolarHBondContact CA-OD1 3.31Å; H323-D532 WeakPolarHBondContact CB-OD1 3.32Å; H323-D532 IonicContact CE1-OD1 3.86Å; H323-D532 IonicContact CG-OD1 2.68Å; H323-D532 IonicContact ND1-OD1 3.53Å; H323-D532 PolarHBondContact ND1-OD1 2.79Å; R324-D532 VanDerWaalsContact CB-OD2 3.25Å; R324-D532 WeakPolarHBondContact CB-OD2 3.32Å; R324-D532 PolarHBondContact N-OD2 2.86Å; P528-D532 HydrophobicContact CB-CB 3.65Å; S529-D532 WeakPolarHBondContact CB-OD2 3.4Å; S529-D532 PolarHBondContact N-OD2 2.79Å; S529-D532 PolarHBondContact O-N 3.34Å; S529-D532 PolarHBondContact OG-N 3.14Å; S529-D532 PolarHBondContact OG-OD2 3.32Å; D532-I536 HydrophobicContact CB-CG2 3.89Å; D532-K562 PolarHBondContact O-NZ 3.33Å |
| 533 | S | 92.6 | Very high | 95.2 | Very high | 35 Ų | 35 | 23.6 Ų | 23.6 | 25% | 0.245 | 14% | 0.138 | C | C | . | . | trans | -50.1 | 153.4 | 163.2 | 173.4 | 0 | 0 | 0 | 0 | 111 | P528 C535 | P528-S533 WeakPolarHBondContact CB-O 3.36Å; S533-C535 VanDerWaalsContact CB-O 3.31Å; S533-C535 WeakPolarHBondContact CB-O 3.36Å; S533-C535 PolarHBondContact O-N 2.66Å; S533-C535 PolarHBondContact OG-O 2.7Å; S533-C535 VanDerWaalsContact OG-O 3.06Å | ||
| 534 | P | 94.9 | Very high | 95.2 | Very high | 56 Ų | 56 | 20.1 Ų | 20.1 | 36% | 0.364 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -53.4 | -24.6 | 174.4 | -26.9 | 35.3 | 0 | 0 | 0 | 114.4 | C561 K562 A565 | P534-C561 CarbonylContact O-C 3.58Å; P534-C561 VanDerWaalsContact O-CA 3.27Å; P534-C561 WeakPolarHBondContact O-CA 3.28Å; P534-K562 PolarHBondContact O-N 3.48Å; P534-A565 HydrophobicContact CB-CB 4.14Å |
| 535 | C | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 139 | 172.7 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | S533 L559 V560 C561 | S533-C535 VanDerWaalsContact CB-O 3.31Å; S533-C535 WeakPolarHBondContact CB-O 3.36Å; S533-C535 PolarHBondContact O-N 2.66Å; S533-C535 PolarHBondContact OG-O 2.7Å; S533-C535 VanDerWaalsContact OG-O 3.06Å; C535-L559 HydrophobicContact CB-CD1 3.84Å; C535-L559 HydrophobicContact CB-CD2 3.9Å; C535-L559 HydrophobicContact CB-CG 3.84Å; C535-V560 WeakPolarHBondContact CA-O 3.47Å; C535-C561 HydrophobicContact CB-CB 4.09Å; C535-C561 WeakPolarHBondContact CB-SG 3.37Å; C535-C561 WeakPolarHBondContact SG-CB 3.35Å; C535-C561 CovalentContact SG-SG 2.04Å; C535-C561 PolarHBondContact SG-SG 3.07Å |
| 536 | I | 96.4 | Very high | 95.3 | Very high | 13 Ų | 13 | 21.1 Ų | 21.1 | 7% | 0.067 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138.1 | 173.9 | 65.6 | -171.4 | 0 | 0 | 0 | 110.2 | R324 P528 D532 Y538 V560 | R324-I536 HydrophobicContact CB-CD1 3.85Å; R324-I536 HydrophobicContact CG-CD1 3.8Å; P528-I536 HydrophobicContact CB-CD1 4.35Å; P528-I536 HydrophobicContact CB-CG2 4Å; P528-I536 HydrophobicContact CG-CB 4.48Å; P528-I536 HydrophobicContact CG-CD1 4.09Å; P528-I536 HydrophobicContact CG-CG1 3.99Å; P528-I536 HydrophobicContact CG-CG2 4.08Å; D532-I536 HydrophobicContact CB-CG2 3.89Å; I536-Y538 HydrophobicContact CD1-CE2 3.71Å; I536-Y538 VanDerWaalsContact CD1-OH 3.26Å; I536-Y538 WeakPolarHBondContact CD1-OH 3.45Å; I536-Y538 HydrophobicContact CG1-CD2 4.39Å; I536-Y538 HydrophobicContact CG1-CE2 3.69Å; I536-V560 HydrophobicContact CG1-CB 4.39Å; I536-V560 PolarHBondContact N-O 3.11Å; I536-V560 PolarHBondContact O-N 2.04Å |
| 537 | P | 97.2 | Very high | 95.4 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.032 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 143.9 | 178.8 | 31.7 | -34.1 | 0 | 0 | 0 | 112.1 | L558 Y644 F646 T681 A683 | P537-L558 CarbonylContact C-O 3.11Å; P537-Y644 HydrophobicContact CB-CD1 3.82Å; P537-Y644 HydrophobicContact CB-CG 4.3Å; P537-Y644 HydrophobicContact CG-CD1 3.84Å; P537-F646 HydrophobicContact CB-CE1 3.65Å; P537-F646 HydrophobicContact CB-CZ 3.88Å; P537-T681 WeakPolarHBondContact O-CB 3.45Å; P537-T681 PolarHBondContact O-OG1 3.36Å; P537-A683 HydrophobicContact CG-CB 4.37Å |
| 538 | Y | 97.6 | Very high | 95.6 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 172.9 | 170.2 | -71.1 | -63 | 0 | 0 | 0 | 108.9 | R324 D326 H488 I536 L558 V560 F646 | R324-Y538 WeakPolarHBondContact CG-OH 3.47Å; D326-Y538 WeakPolarHBondContact OD1-CE1 3.43Å; H488-Y538 HydrophobicContact CB-CD1 3.92Å; H488-Y538 HydrophobicContact CB-CG 4.21Å; I536-Y538 HydrophobicContact CD1-CE2 3.71Å; I536-Y538 VanDerWaalsContact CD1-OH 3.26Å; I536-Y538 WeakPolarHBondContact CD1-OH 3.45Å; I536-Y538 HydrophobicContact CG1-CD2 4.39Å; I536-Y538 HydrophobicContact CG1-CE2 3.69Å; Y538-L558 PolarHBondContact N-O 3.46Å; Y538-L558 PolarHBondContact O-N 2.93Å; Y538-V560 HydrophobicContact CD2-CB 4.07Å; Y538-V560 HydrophobicContact CD2-CG2 3.66Å; Y538-V560 HydrophobicContact CE2-CB 3.95Å; Y538-V560 HydrophobicContact CE2-CG2 3.86Å; Y538-F646 WeakPolarHBondContact O-CE1 3.41Å |
| 539 | L | 96.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 158.1 | 172.2 | -69.4 | 170.5 | 0 | 0 | 0 | 111.2 | H488 V555 G556 F646 T681 | H488-L539 VanDerWaalsContact CB-O 3.29Å; H488-L539 WeakPolarHBondContact CB-O 3.47Å; H488-L539 PolarHBondContact N-O 2.91Å; L539-V555 HydrophobicContact CD2-CG2 3.93Å; L539-G556 CarbonylContact C-O 3.48Å; L539-G556 WeakPolarHBondContact CA-O 3.42Å; L539-F646 HydrophobicContact CD1-CB 4.35Å; L539-F646 HydrophobicContact CD1-CD1 4.37Å; L539-F646 HydrophobicContact CD2-CB 4Å; L539-F646 HydrophobicContact CD2-CD1 3.31Å; L539-F646 HydrophobicContact CD2-CE1 3.86Å; L539-F646 HydrophobicContact CD2-CG 3.7Å; L539-F646 HydrophobicContact CG-CB 4.48Å; L539-F646 HydrophobicContact CG-CD1 3.68Å; L539-F646 HydrophobicContact CG-CE1 4.32Å; L539-F646 HydrophobicContact CG-CG 4.37Å; L539-T681 HydrophobicContact CG-CG2 4.46Å |
| 540 | Y | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 146.3 | 154.7 | 68 | -89.6 | 0 | 0 | 0 | 108.4 | L389 Y438 P461 L463 I485 H486 V555 G556 P557 L558 | L389-Y540 HydrophobicContact CD1-CE2 4.08Å; Y438-Y540 HydrophobicContact CD2-CD2 4.3Å; Y438-Y540 AromaticContact CD2-CE2 3.6Å; Y438-Y540 HydrophobicContact CD2-CE2 3.6Å; Y438-Y540 HydrophobicContact CE2-CD2 4.06Å; Y438-Y540 AromaticContact CE2-CE2 3.83Å; Y438-Y540 HydrophobicContact CE2-CE2 3.83Å; Y438-Y540 HydrophobicContact CG-CE2 4.06Å; P461-Y540 WeakPolarHBondContact CD-OH 3.5Å; P461-Y540 VanDerWaalsContact O-CE1 3.32Å; P461-Y540 WeakPolarHBondContact O-CE1 3.09Å; P461-Y540 PolarHBondContact O-OH 3.1Å; L463-Y540 HydrophobicContact CB-CE1 4.35Å; L463-Y540 HydrophobicContact CD1-CD1 3.64Å; L463-Y540 HydrophobicContact CD1-CE1 3.71Å; L463-Y540 HydrophobicContact CD1-CG 4.06Å; L463-Y540 HydrophobicContact CG-CD1 3.92Å; L463-Y540 HydrophobicContact CG-CE1 3.55Å; I485-Y540 HydrophobicContact CG2-CD2 3.62Å; I485-Y540 HydrophobicContact CG2-CE2 4.43Å; I485-Y540 HydrophobicContact CG2-CG 4.26Å; H486-Y540 CarbonylContact O-C 3.6Å; H486-Y540 WeakPolarHBondContact O-CA 3.49Å; H486-Y540 WeakPolarHBondContact O-CB 3.17Å; Y540-V555 CarbonylContact O-C 3.52Å; Y540-V555 WeakPolarHBondContact O-CA 3.35Å; Y540-G556 WeakPolarHBondContact CD1-O 3.35Å; Y540-G556 PolarHBondContact N-O 3.04Å; Y540-G556 PolarHBondContact O-N 2.97Å; Y540-P557 VanDerWaalsContact CE1-O 3.32Å; Y540-P557 WeakPolarHBondContact CE1-O 3.42Å; Y540-L558 HydrophobicContact CD1-CB 4.27Å |
| 541 | Y | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 165 | -174.4 | 59.5 | -79.7 | 0 | 0 | 0 | 110.2 | Q353 I485 H486 H488 A543 P546 T550 L554 H679 | Q353-Y541 PolarHBondContact OE1-OH 3.22Å; I485-Y541 CarbonylContact C-O 3.54Å; H486-Y541 AromaticContact CD2-CZ 3.98Å; H486-Y541 PolarHBondContact N-O 3.43Å; H486-Y541 PolarHBondContact O-N 3.4Å; H488-Y541 AromaticContact CD2-CD1 3.98Å; H488-Y541 AromaticContact CD2-CE1 3.45Å; H488-Y541 VanDerWaalsContact CD2-CE1 3.45Å; H488-Y541 WeakPolarHBondContact CD2-CE1 3.42Å; H488-Y541 AromaticContact NE2-CE1 3.36Å; H488-Y541 WeakPolarHBondContact NE2-CE1 3.18Å; Y541-A543 HydrophobicContact CD2-CB 4.12Å; Y541-A543 HydrophobicContact CE2-CB 3.64Å; Y541-P546 HydrophobicContact CE2-CB 4.03Å; Y541-T550 HydrophobicContact CD2-CG2 4.05Å; Y541-T550 HydrophobicContact CG-CG2 4.3Å; Y541-L554 VanDerWaalsContact CA-O 3.26Å; Y541-L554 WeakPolarHBondContact CA-O 3.3Å; Y541-L554 WeakPolarHBondContact CB-O 3.25Å; Y541-H679 AromaticContact CE1-CE1 3.64Å; Y541-H679 AromaticContact CE1-ND1 3.95Å; Y541-H679 AromaticContact CZ-CE1 3.64Å |
| 542 | S | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -80.3 | 131.9 | 168.7 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | Y438 S484 D549 L554 | Y438-S542 WeakPolarHBondContact OH-CA 3.27Å; Y438-S542 WeakPolarHBondContact OH-CB 3.38Å; Y438-S542 PolarHBondContact OH-N 2.96Å; S484-S542 PolarHBondContact N-OG 3.42Å; S484-S542 WeakPolarHBondContact O-CA 3.34Å; S484-S542 VanDerWaalsContact O-CB 3.29Å; S484-S542 WeakPolarHBondContact O-CB 3.45Å; S484-S542 PolarHBondContact O-OG 2.79Å; S542-D549 WeakPolarHBondContact CB-OD2 3.4Å; S542-D549 WeakPolarHBondContact O-CB 3.38Å; S542-D549 PolarHBondContact OG-OD2 3.03Å; S542-L554 PolarHBondContact N-O 3.38Å; S542-L554 VanDerWaalsContact N-O 3.16Å | ||
| 543 | A | 96.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | B | Isolated β-bridge | trans | -125.5 | 27.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S484 H486 Y541 P546 | S484-A543 PolarHBondContact OG-N 2.82Å; H486-A543 HydrophobicContact CB-CB 3.7Å; Y541-A543 HydrophobicContact CD2-CB 4.12Å; Y541-A543 HydrophobicContact CE2-CB 3.64Å; A543-P546 HydrophobicContact CB-CB 4.47Å |
| 544 | T | 95.5 | Very high | 96.9 | Very high | 29 Ų | 29 | 12.7 Ų | 12.7 | 18% | 0.178 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -65.6 | -50.3 | 165.9 | -69.1 | 0 | 0 | 0 | 0 | 108.5 | Y483 S484 S510 D549 | Y483-T544 VanDerWaalsContact C-OG1 3.27Å; Y483-T544 WeakPolarHBondContact CA-OG1 3.5Å; S484-T544 PolarHBondContact N-OG1 2.93Å; S484-T544 PolarHBondContact OG-N 3.03Å; S510-T544 PolarHBondContact O-OG1 3.36Å; T544-D549 WeakPolarHBondContact CB-OD2 3.49Å; T544-D549 PolarHBondContact N-OD2 3.38Å |
| 545 | D | 95.3 | Very high | 97.1 | Very high | 40 Ų | 40 | 10 Ų | 10 | 21% | 0.214 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -132.8 | 96.4 | 160.7 | -177.1 | -37.9 | 0 | 0 | 0 | 107.2 | V547 K548 D549 W592 | D545-V547 PolarHBondContact O-N 3.13Å; D545-V547 VanDerWaalsContact O-N 3.14Å; D545-V547 PolarHBondContact OD1-N 2.85Å; D545-K548 HydrophobicContact CB-CB 4.26Å; D545-K548 PolarHBondContact O-N 2.71Å; D545-K548 PolarHBondContact OD1-N 2.88Å; D545-D549 PolarHBondContact N-OD2 3.39Å; D545-D549 WeakPolarHBondContact O-CB 3.07Å; D545-D549 PolarHBondContact O-N 3Å; D545-W592 HydrophobicContact CB-CZ2 3.59Å |
| 546 | P | 95.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 10 Ų | 10 | 20% | 0.195 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -59.7 | -29.9 | -169.1 | 23.4 | -34 | 0 | 0 | 0 | 113.7 | L358 Y541 A543 T550 | L358-P546 HydrophobicContact CD2-CB 4.13Å; L358-P546 HydrophobicContact CD2-CG 3.52Å; Y541-P546 HydrophobicContact CE2-CB 4.03Å; A543-P546 HydrophobicContact CB-CB 4.47Å; P546-T550 WeakPolarHBondContact O-CB 3.49Å; P546-T550 WeakPolarHBondContact O-CG2 3.48Å; P546-T550 PolarHBondContact O-N 2.99Å; P546-T550 PolarHBondContact O-OG1 3.21Å |
| 547 | V | 96.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 9.4 Ų | 9.4 | 1% | 0.012 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -77.3 | -51.1 | 179.6 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | N355 L358 Q359 D545 T550 N551 L590 | N355-V547 HydrophobicContact CB-CB 4.44Å; N355-V547 HydrophobicContact CB-CG1 3.89Å; N355-V547 HydrophobicContact CB-CG2 3.84Å; L358-V547 HydrophobicContact CD2-CG2 4.32Å; Q359-V547 HydrophobicContact CG-CG2 3.84Å; D545-V547 PolarHBondContact O-N 3.13Å; D545-V547 VanDerWaalsContact O-N 3.14Å; D545-V547 PolarHBondContact OD1-N 2.85Å; V547-T550 PolarHBondContact O-OG1 2.98Å; V547-N551 PolarHBondContact O-N 3Å; V547-N551 PolarHBondContact O-ND2 2.8Å; V547-L590 HydrophobicContact CG1-CD1 3.87Å |
| 548 | K | 97.2 | Very high | 97.3 | Very high | 69 Ų | 69 | 9.2 Ų | 9.2 | 30% | 0.3 | 5% | 0.049 | S | C | . | . | H | α-helix | trans | -72.5 | -36.3 | -177.7 | -63.1 | -169.8 | 171.5 | 172 | 0 | 112.6 | D545 S552 L590 W592 | D545-K548 HydrophobicContact CB-CB 4.26Å; D545-K548 PolarHBondContact O-N 2.71Å; D545-K548 PolarHBondContact OD1-N 2.88Å; K548-S552 WeakPolarHBondContact O-CB 3.45Å; K548-S552 PolarHBondContact O-N 2.72Å; K548-S552 PolarHBondContact O-OG 3.03Å; K548-L590 VanDerWaalsContact CA-O 3.29Å; K548-L590 WeakPolarHBondContact CA-O 3.35Å; K548-L590 WeakPolarHBondContact CB-O 3.32Å; K548-L590 VanDerWaalsContact CG-O 3.32Å; K548-L590 WeakPolarHBondContact CG-O 3.06Å; K548-W592 HydrophobicContact CB-CD2 3.97Å; K548-W592 VanDerWaalsContact CB-CE2 3.5Å; K548-W592 HydrophobicContact CB-CG 4.2Å; K548-W592 HydrophobicContact CB-CZ2 3.92Å; K548-W592 HydrophobicContact CD-CD2 3.93Å; K548-W592 HydrophobicContact CD-CE3 3.84Å; K548-W592 HydrophobicContact CD-CH2 3.58Å; K548-W592 HydrophobicContact CD-CZ2 3.69Å; K548-W592 HydrophobicContact CD-CZ3 3.65Å; K548-W592 HydrophobicContact CG-CZ2 4.35Å |
| 549 | D | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.5 | -41.5 | -177.1 | -67.2 | -13.7 | 0 | 0 | 0 | 112.3 | Y483 S542 T544 D545 S552 G553 L554 W592 | Y483-D549 WeakPolarHBondContact CD1-OD1 3.23Å; Y483-D549 WeakPolarHBondContact CE1-OD1 3.27Å; S542-D549 WeakPolarHBondContact CB-OD2 3.4Å; S542-D549 WeakPolarHBondContact O-CB 3.38Å; S542-D549 PolarHBondContact OG-OD2 3.03Å; T544-D549 WeakPolarHBondContact CB-OD2 3.49Å; T544-D549 PolarHBondContact N-OD2 3.38Å; D545-D549 PolarHBondContact N-OD2 3.39Å; D545-D549 WeakPolarHBondContact O-CB 3.07Å; D545-D549 PolarHBondContact O-N 3Å; D549-S552 PolarHBondContact O-N 3.38Å; D549-G553 PolarHBondContact O-N 3.35Å; D549-L554 PolarHBondContact O-N 2.78Å; D549-W592 PolarHBondContact OD1-NE1 2.99Å |
| 550 | T | 97.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 8.9 Ų | 8.9 | 3% | 0.031 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -69.8 | -45.3 | 179.1 | 53 | 0 | 0 | 0 | 0 | 111.4 | Y541 P546 V547 S552 G553 L648 | Y541-T550 HydrophobicContact CD2-CG2 4.05Å; Y541-T550 HydrophobicContact CG-CG2 4.3Å; P546-T550 WeakPolarHBondContact O-CB 3.49Å; P546-T550 WeakPolarHBondContact O-CG2 3.48Å; P546-T550 PolarHBondContact O-N 2.99Å; P546-T550 PolarHBondContact O-OG1 3.21Å; V547-T550 PolarHBondContact O-OG1 2.98Å; T550-S552 VanDerWaalsContact C-N 3.26Å; T550-S552 PolarHBondContact O-N 2.92Å; T550-G553 WeakPolarHBondContact O-CA 3.18Å; T550-G553 PolarHBondContact O-N 3.44Å; T550-L648 HydrophobicContact CG2-CD1 4.45Å; T550-L648 HydrophobicContact CG2-CD2 4.1Å |
| 551 | N | 97.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 8.9 Ų | 8.9 | 2% | 0.021 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -62.3 | -32.3 | 172.7 | -78.9 | -57.8 | 0 | 0 | 0 | 112.5 | N355 K435 V547 G553 D587 L590 | N355-N551 PolarHBondContact ND2-ND2 3.15Å; K435-N551 PolarHBondContact NZ-O 2.95Å; V547-N551 PolarHBondContact O-N 3Å; V547-N551 PolarHBondContact O-ND2 2.8Å; N551-G553 PolarHBondContact O-N 3.37Å; N551-D587 WeakPolarHBondContact CB-O 3.45Å; N551-D587 PolarHBondContact OD1-N 3.19Å; N551-L590 HydrophobicContact CB-CB 4.24Å |
| 552 | S | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -69.3 | -19.2 | 171.8 | -59.7 | 0 | 0 | 0 | 0 | 113.6 | K435 V436 K548 D549 T550 W592 | K435-S552 WeakPolarHBondContact CA-O 3.3Å; K435-S552 VanDerWaalsContact CB-O 3.31Å; K435-S552 WeakPolarHBondContact CB-O 2.94Å; V436-S552 PolarHBondContact N-O 3.1Å; K548-S552 WeakPolarHBondContact O-CB 3.45Å; K548-S552 PolarHBondContact O-N 2.72Å; K548-S552 PolarHBondContact O-OG 3.03Å; D549-S552 PolarHBondContact O-N 3.38Å; T550-S552 VanDerWaalsContact C-N 3.26Å; T550-S552 PolarHBondContact O-N 2.92Å; S552-W592 PolarHBondContact OG-N 3.47Å |
| 553 | G | 97.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 123.8 | 3.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | V436 L458 D549 T550 N551 V555 | V436-G553 CarbonylContact O-C 3.57Å; V436-G553 VanDerWaalsContact O-CA 3.28Å; V436-G553 WeakPolarHBondContact O-CA 3.44Å; L458-G553 WeakPolarHBondContact CD2-O 3.43Å; D549-G553 PolarHBondContact O-N 3.35Å; T550-G553 WeakPolarHBondContact O-CA 3.18Å; T550-G553 PolarHBondContact O-N 3.44Å; N551-G553 PolarHBondContact O-N 3.37Å; G553-V555 PolarHBondContact O-N 2.81Å; G553-V555 VanDerWaalsContact O-N 3.08Å |
| 554 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -87.3 | 77.9 | -174.1 | -68.8 | 175.8 | 0 | 0 | 0 | 113.4 | A391 V436 Y438 Y483 Y541 S542 D549 | A391-L554 HydrophobicContact CB-CD2 4.07Å; V436-L554 HydrophobicContact CG1-CD1 3.89Å; V436-L554 HydrophobicContact CG1-CD2 4.16Å; V436-L554 HydrophobicContact CG1-CG 3.72Å; V436-L554 HydrophobicContact CG2-CD2 4.09Å; V436-L554 HydrophobicContact CG2-CG 4.5Å; Y438-L554 HydrophobicContact CD1-CD2 4.02Å; Y438-L554 HydrophobicContact CD2-CB 4.45Å; Y438-L554 HydrophobicContact CD2-CD2 4.1Å; Y438-L554 HydrophobicContact CE1-CD2 3.88Å; Y438-L554 VanDerWaalsContact CE2-C 3.48Å; Y438-L554 HydrophobicContact CE2-CB 3.75Å; Y438-L554 HydrophobicContact CE2-CD2 3.99Å; Y438-L554 HydrophobicContact CE2-CG 4.44Å; Y438-L554 HydrophobicContact CG-CD2 4.12Å; Y483-L554 HydrophobicContact CD1-CD1 3.35Å; Y483-L554 HydrophobicContact CD2-CD1 3.93Å; Y483-L554 HydrophobicContact CE1-CD1 3.74Å; Y483-L554 HydrophobicContact CE2-CD1 4.27Å; Y483-L554 HydrophobicContact CG-CD1 3.46Å; Y483-L554 VanDerWaalsContact CG-CD1 3.46Å; Y541-L554 VanDerWaalsContact CA-O 3.26Å; Y541-L554 WeakPolarHBondContact CA-O 3.3Å; Y541-L554 WeakPolarHBondContact CB-O 3.25Å; S542-L554 PolarHBondContact N-O 3.38Å; S542-L554 VanDerWaalsContact N-O 3.16Å; D549-L554 PolarHBondContact O-N 2.78Å | ||
| 555 | V | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 145.6 | 174.9 | 57.2 | 0 | 0 | 0 | 0 | 111 | L458 L459 G460 L539 Y540 G553 L582 L648 | L458-V555 HydrophobicContact CD2-CG1 4.18Å; L459-V555 HydrophobicContact CD2-CG1 4.21Å; G460-V555 PolarHBondContact N-O 3.02Å; L539-V555 HydrophobicContact CD2-CG2 3.93Å; Y540-V555 CarbonylContact O-C 3.52Å; Y540-V555 WeakPolarHBondContact O-CA 3.35Å; G553-V555 PolarHBondContact O-N 2.81Å; G553-V555 VanDerWaalsContact O-N 3.08Å; V555-L582 HydrophobicContact CG1-CD2 3.52Å; V555-L582 HydrophobicContact CG2-CD2 4.28Å; V555-L648 HydrophobicContact CB-CD2 4.26Å; V555-L648 HydrophobicContact CG1-CD2 4.34Å; V555-L648 HydrophobicContact CG2-CD2 4.13Å |
| 556 | G | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 159 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L539 Y540 | L539-G556 CarbonylContact C-O 3.48Å; L539-G556 WeakPolarHBondContact CA-O 3.42Å; Y540-G556 WeakPolarHBondContact CD1-O 3.35Å; Y540-G556 PolarHBondContact N-O 3.04Å; Y540-G556 PolarHBondContact O-N 2.97Å |
| 557 | P | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 138.9 | -178.8 | 30.8 | -33 | 0 | 0 | 0 | 112.3 | G460 V462 L463 Y540 F580 F646 | G460-P557 WeakPolarHBondContact O-CD 3.41Å; V462-P557 WeakPolarHBondContact CA-O 3.29Å; V462-P557 HydrophobicContact CB-CG 4.04Å; V462-P557 HydrophobicContact CG1-CG 4.43Å; V462-P557 HydrophobicContact CG2-CB 4.24Å; V462-P557 HydrophobicContact CG2-CG 3.36Å; L463-P557 PolarHBondContact N-O 2.8Å; Y540-P557 VanDerWaalsContact CE1-O 3.32Å; Y540-P557 WeakPolarHBondContact CE1-O 3.42Å; P557-F580 HydrophobicContact CB-CD1 3.72Å; P557-F580 HydrophobicContact CB-CE1 4.27Å; P557-F580 HydrophobicContact CB-CG 4.43Å; P557-F580 HydrophobicContact CG-CD1 4.03Å; P557-F580 HydrophobicContact CG-CG 4.32Å; P557-F646 HydrophobicContact CB-CE1 4.3Å; P557-F646 HydrophobicContact CB-CE2 4.01Å; P557-F646 HydrophobicContact CB-CZ 3.61Å |
| 558 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.8 | 170.7 | 171.7 | 68.3 | 0 | 0 | 0 | 108.8 | L463 L471 P487 H488 L490 P537 Y538 Y540 V560 | L463-L558 HydrophobicContact CB-CD1 3.6Å; L463-L558 CarbonylContact O-C 3.59Å; L463-L558 WeakPolarHBondContact O-CA 3.15Å; L471-L558 HydrophobicContact CD2-CD1 3.82Å; P487-L558 HydrophobicContact CB-CD2 4.35Å; H488-L558 WeakPolarHBondContact O-CD2 3.41Å; L490-L558 HydrophobicContact CD1-CD1 4.3Å; L490-L558 HydrophobicContact CD1-CD2 3.69Å; L490-L558 HydrophobicContact CD2-CD2 4.14Å; L490-L558 HydrophobicContact CG-CD2 3.67Å; P537-L558 CarbonylContact C-O 3.11Å; Y538-L558 PolarHBondContact N-O 3.46Å; Y538-L558 PolarHBondContact O-N 2.93Å; Y540-L558 HydrophobicContact CD1-CB 4.27Å; L558-V560 HydrophobicContact CG-CG2 4.48Å |
| 559 | L | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 122.5 | 178.9 | -165.8 | 73.7 | 0 | 0 | 0 | 109.9 | V462 L463 R464 A465 C535 Y644 | V462-L559 HydrophobicContact CG1-CB 4.42Å; L463-L559 PolarHBondContact O-N 2.87Å; R464-L559 WeakPolarHBondContact CA-O 3.16Å; R464-L559 HydrophobicContact CG-CB 4.24Å; A465-L559 PolarHBondContact N-O 3.29Å; C535-L559 HydrophobicContact CB-CD1 3.84Å; C535-L559 HydrophobicContact CB-CD2 3.9Å; C535-L559 HydrophobicContact CB-CG 3.84Å; L559-Y644 HydrophobicContact CD1-CD1 4Å; L559-Y644 HydrophobicContact CD1-CE1 3.54Å; L559-Y644 HydrophobicContact CD1-CE2 4.1Å; L559-Y644 HydrophobicContact CD1-CG 4.46Å; L559-Y644 HydrophobicContact CD2-CE2 4.43Å |
| 560 | V | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 124.6 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | A465 L490 V524 P528 C535 I536 Y538 L558 | A465-V560 WeakPolarHBondContact O-CA 3.41Å; L490-V560 HydrophobicContact CD2-CG2 3.76Å; V524-V560 HydrophobicContact CG1-CG1 3.49Å; V524-V560 VanDerWaalsContact CG1-CG1 3.49Å; P528-V560 WeakPolarHBondContact CG-O 3.42Å; C535-V560 WeakPolarHBondContact CA-O 3.47Å; I536-V560 HydrophobicContact CG1-CB 4.39Å; I536-V560 PolarHBondContact N-O 3.11Å; I536-V560 PolarHBondContact O-N 2.04Å; Y538-V560 HydrophobicContact CD2-CB 4.07Å; Y538-V560 HydrophobicContact CD2-CG2 3.66Å; Y538-V560 HydrophobicContact CE2-CB 3.95Å; Y538-V560 HydrophobicContact CE2-CG2 3.86Å; L558-V560 HydrophobicContact CG-CG2 4.48Å |
| 561 | C | 96.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 157 | -172.6 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | A465 E466 E467 P534 C535 A565 L566 | A465-C561 PolarHBondContact O-N 2.81Å; E466-C561 CarbonylContact C-O 3.55Å; E466-C561 VanDerWaalsContact CA-O 3.26Å; E466-C561 WeakPolarHBondContact CA-O 3.45Å; E466-C561 HydrophobicContact CG-CB 4.35Å; E467-C561 PolarHBondContact N-O 3.35Å; P534-C561 CarbonylContact O-C 3.58Å; P534-C561 VanDerWaalsContact O-CA 3.27Å; P534-C561 WeakPolarHBondContact O-CA 3.28Å; C535-C561 HydrophobicContact CB-CB 4.09Å; C535-C561 WeakPolarHBondContact CB-SG 3.37Å; C535-C561 WeakPolarHBondContact SG-CB 3.35Å; C535-C561 CovalentContact SG-SG 2.04Å; C535-C561 PolarHBondContact SG-SG 3.07Å; C561-A565 HydrophobicContact CB-CB 4.15Å; C561-L566 HydrophobicContact CB-CD2 4.23Å; C561-L566 HydrophobicContact CB-CG 4.1Å; C561-L566 WeakPolarHBondContact SG-CD2 3.44Å |
| 562 | K | 95.7 | Very high | 92.4 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 24% | 0.239 | 19% | 0.194 | C | C | . | . | trans | -60.7 | 148.7 | 167.5 | -63.2 | -177.7 | -175.4 | 175.8 | 0 | 109.5 | P528 S529 D532 P534 G564 A565 | P528-K562 HydrophobicContact CB-CG 3.93Å; P528-K562 HydrophobicContact CG-CG 4.06Å; S529-K562 WeakPolarHBondContact O-CE 3.25Å; S529-K562 PolarHBondContact O-NZ 3.01Å; D532-K562 PolarHBondContact O-NZ 3.33Å; P534-K562 PolarHBondContact O-N 3.48Å; K562-G564 PolarHBondContact O-N 3.02Å; K562-A565 HydrophobicContact CB-CB 4.33Å; K562-A565 WeakPolarHBondContact O-CB 3.09Å; K562-A565 PolarHBondContact O-N 2.78Å | ||
| 563 | R | 92.7 | Very high | 92.2 | Very high | 152 Ų | 152 | 44.4 Ų | 44.4 | 57% | 0.574 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 126.7 | 178 | -168.4 | 173.4 | -177.5 | 175.1 | 3.7 | 111.7 | A565 | R563-A565 VanDerWaalsContact C-N 3.33Š|
| 564 | G | 91.5 | Very high | 91.9 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 37% | 0.371 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 10.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | E466 K562 K573 | E466-G564 VanDerWaalsContact OE1-CA 3.31Å; E466-G564 WeakPolarHBondContact OE1-CA 3.21Å; E466-G564 PolarHBondContact OE1-N 3.06Å; E466-G564 VanDerWaalsContact OE1-N 3.16Å; E466-G564 PolarHBondContact OE2-N 2.83Å; K562-G564 PolarHBondContact O-N 3.02Å; G564-K573 WeakPolarHBondContact O-CD 3.37Å; G564-K573 WeakPolarHBondContact O-CE 3.09Å; G564-K573 PolarHBondContact O-NZ 2.96Å |
| 565 | A | 93.6 | Very high | 91.7 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 12% | 0.116 | 26% | 0.255 | C | S | . | . | trans | -78.6 | -24 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E466 P534 C561 K562 R563 K573 | E466-A565 PolarHBondContact OE1-N 3.23Å; E466-A565 VanDerWaalsContact OE1-N 3.1Å; P534-A565 HydrophobicContact CB-CB 4.14Å; C561-A565 HydrophobicContact CB-CB 4.15Å; K562-A565 HydrophobicContact CB-CB 4.33Å; K562-A565 WeakPolarHBondContact O-CB 3.09Å; K562-A565 PolarHBondContact O-N 2.78Å; R563-A565 VanDerWaalsContact C-N 3.33Å; A565-K573 WeakPolarHBondContact O-CG 3.42Å; A565-K573 PolarHBondContact O-N 2.82Å | ||
| 566 | L | 92.9 | Very high | 91.5 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -83.4 | 138.6 | 177 | -61.1 | -178.2 | 0 | 0 | 0 | 111.1 | R464 E466 C561 G570 K573 | R464-L566 HydrophobicContact CB-CD1 4.13Å; E466-L566 HydrophobicContact CG-CB 4.32Å; E466-L566 HydrophobicContact CG-CD1 3.83Å; E466-L566 HydrophobicContact CG-CG 3.91Å; E466-L566 WeakPolarHBondContact OE1-CB 3.03Å; E466-L566 PolarHBondContact OE1-N 3.14Å; C561-L566 HydrophobicContact CB-CD2 4.23Å; C561-L566 HydrophobicContact CB-CG 4.1Å; C561-L566 WeakPolarHBondContact SG-CD2 3.44Å; L566-G570 WeakPolarHBondContact CD2-O 3.28Å; L566-K573 VanDerWaalsContact O-CE 3.3Å; L566-K573 WeakPolarHBondContact O-CE 3.33Å |
| 567 | G | 86.7 | Confident | 91.3 | Very high | 27 Ų | 27 | 56 Ų | 56 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | -81.1 | 179 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K569 G570 I571 | G567-K569 PolarHBondContact O-N 2.85Å; G567-K569 VanDerWaalsContact O-N 3.13Å; G567-G570 PolarHBondContact O-N 2.65Å; G567-I571 PolarHBondContact N-O 3.06Å | ||
| 568 | E | 76.9 | Confident | 91.2 | Very high | 210 Ų | 210 | 56.9 Ų | 56.9 | 98% | 0.981 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27 | -179.4 | -66 | -178 | 172.2 | 0 | 0 | 113.8 | ||
| 569 | K | 76.5 | Confident | 91.2 | Very high | 192 Ų | 192 | 57.1 Ų | 57.1 | 84% | 0.835 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | 6.1 | 177.6 | -63.3 | -176.1 | 179.2 | 179.9 | 0 | 113.6 | G567 I571 | G567-K569 PolarHBondContact O-N 2.85Å; G567-K569 VanDerWaalsContact O-N 3.13Å; K569-I571 PolarHBondContact O-N 3.22Å |
| 570 | G | 79.5 | Confident | 91.3 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 74.5 | 1.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R464 L566 G567 | R464-G570 WeakPolarHBondContact CD-O 3.38Å; R464-G570 PolarHBondContact NE-O 3.24Å; L566-G570 WeakPolarHBondContact CD2-O 3.28Å; G567-G570 PolarHBondContact O-N 2.65Å |
| 571 | I | 86.8 | Confident | 91.3 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -82.5 | 144.3 | 172.3 | -60.4 | 169.8 | 0 | 0 | 0 | 108.8 | G567 K569 K573 E578 | G567-I571 PolarHBondContact N-O 3.06Å; K569-I571 PolarHBondContact O-N 3.22Å; I571-K573 PolarHBondContact O-N 2.87Å; I571-E578 HydrophobicContact CG2-CG 4.44Å |
| 572 | Q | 92.4 | Very high | 91.4 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -56.9 | 135.1 | 175.3 | -174.8 | -179 | -25.1 | 0 | 0 | 112 | G574 I575 E578 Y644 | Q572-G574 PolarHBondContact O-N 2.65Å; Q572-I575 HydrophobicContact CB-CB 4.24Å; Q572-I575 HydrophobicContact CB-CG1 3.89Å; Q572-I575 HydrophobicContact CG-CG1 3.81Å; Q572-I575 PolarHBondContact O-N 2.74Å; Q572-E578 WeakPolarHBondContact CB-OE1 3.24Å; Q572-E578 PolarHBondContact N-OE1 2.98Å; Q572-Y644 PolarHBondContact OE1-OH 2.92Å; Q572-Y644 VanDerWaalsContact OE1-OH 3.05Å |
| 573 | K | 92.6 | Very high | 91.6 | Very high | 129 Ų | 129 | 54.7 Ų | 54.7 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 133 | 177.1 | -71.2 | 174.1 | -177.6 | 167.3 | 0 | 111 | G564 A565 L566 I571 I575 | G564-K573 WeakPolarHBondContact O-CD 3.37Å; G564-K573 WeakPolarHBondContact O-CE 3.09Å; G564-K573 PolarHBondContact O-NZ 2.96Å; A565-K573 WeakPolarHBondContact O-CG 3.42Å; A565-K573 PolarHBondContact O-N 2.82Å; L566-K573 VanDerWaalsContact O-CE 3.3Å; L566-K573 WeakPolarHBondContact O-CE 3.33Å; I571-K573 PolarHBondContact O-N 2.87Å; K573-I575 VanDerWaalsContact C-N 3.28Å; K573-I575 PolarHBondContact O-N 3.33Å |
| 574 | G | 90.9 | Very high | 91.8 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 63% | 0.629 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 0.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q572 N640 | Q572-G574 PolarHBondContact O-N 2.65Å; G574-N640 WeakPolarHBondContact O-CB 3.26Å; G574-N640 PolarHBondContact O-ND2 2.64Å |
| 575 | I | 94.6 | Very high | 92.1 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | trans | -101.7 | 131.2 | 174.9 | -58.2 | -52.2 | 0 | 0 | 0 | 109.3 | Q572 K573 K577 E578 N640 M642 F685 | Q572-I575 HydrophobicContact CB-CB 4.24Å; Q572-I575 HydrophobicContact CB-CG1 3.89Å; Q572-I575 HydrophobicContact CG-CG1 3.81Å; Q572-I575 PolarHBondContact O-N 2.74Å; K573-I575 VanDerWaalsContact C-N 3.28Å; K573-I575 PolarHBondContact O-N 3.33Å; I575-K577 WeakPolarHBondContact CG2-O 3.47Å; I575-E578 HydrophobicContact CG2-CG 3.86Å; I575-N640 HydrophobicContact CD1-CB 4.3Å; I575-M642 HydrophobicContact CB-CG 4.41Å; I575-M642 HydrophobicContact CD1-CG 3.61Å; I575-M642 HydrophobicContact CD1-SD 4.14Å; I575-M642 HydrophobicContact CG1-CG 3.7Å; I575-M642 HydrophobicContact CG2-CB 4.13Å; I575-M642 HydrophobicContact CG2-CG 3.81Å; I575-F685 HydrophobicContact CD1-CD2 4.29Å; I575-F685 HydrophobicContact CD1-CE2 4.13Å | ||
| 576 | D | 93.8 | Very high | 92.3 | Very high | 74 Ų | 74 | 46.1 Ų | 46.1 | 40% | 0.396 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -86.2 | -36.4 | 179.3 | -67.7 | -68.2 | 0 | 0 | 0 | 111.8 | D639 N640 K720 | D576-D639 HydrophobicContact CB-CB 3.99Å; D576-D639 WeakPolarHBondContact OD2-CA 3.39Å; D576-N640 PolarHBondContact N-O 3.33Å; D576-N640 PolarHBondContact OD2-N 2.83Å; D576-K720 IonicContact OD1-NZ 2.93Å; D576-K720 PolarHBondContact OD1-NZ 3.18Å; D576-K720 IonicContact OD2-NZ 3.77Å; D576-K720 PolarHBondContact OD2-NZ 3.4Å |
| 577 | K | 94.5 | Very high | 92.5 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 39% | 0.387 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 138.4 | -176.6 | -66.4 | -67.5 | -175.3 | 167.1 | 0 | 111.3 | I575 F579 M635 N640 V641 M642 | I575-K577 WeakPolarHBondContact CG2-O 3.47Å; K577-F579 HydrophobicContact CB-CE2 3.92Å; K577-F579 HydrophobicContact CB-CZ 4.26Å; K577-M635 HydrophobicContact CG-CB 4.38Å; K577-N640 PolarHBondContact N-O 2.82Å; K577-V641 HydrophobicContact CB-CG1 4.19Å; K577-V641 HydrophobicContact CB-CG2 4.25Å; K577-V641 WeakPolarHBondContact O-CA 3.4Å; K577-M642 PolarHBondContact O-N 2.93Å |
| 578 | E | 95.8 | Very high | 93.1 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.1 | 171.6 | -61.7 | 179.9 | 136 | 0 | 0 | 107.9 | R464 I571 Q572 I575 F580 M642 Y644 | R464-E578 IonicContact NH2-OE2 2.78Å; I571-E578 HydrophobicContact CG2-CG 4.44Å; Q572-E578 WeakPolarHBondContact CB-OE1 3.24Å; Q572-E578 PolarHBondContact N-OE1 2.98Å; I575-E578 HydrophobicContact CG2-CG 3.86Å; E578-F580 HydrophobicContact CB-CE2 4.03Å; E578-F580 HydrophobicContact CB-CZ 4.39Å; E578-M642 CarbonylContact C-O 3.52Å; E578-M642 WeakPolarHBondContact CA-O 3.44Å; E578-M642 HydrophobicContact CG-CB 4.43Å; E578-Y644 HydrophobicContact CB-CE2 4.24Å; E578-Y644 HydrophobicContact CG-CE2 4.22Å |
| 579 | F | 97.9 | Very high | 94 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.6 | 174.6 | -64.6 | -68.2 | 0 | 0 | 0 | 109.9 | H455 K577 L633 M635 V641 M642 W643 Y644 | H455-F579 AromaticContact CE1-CD1 3.89Å; H455-F579 AromaticContact ND1-CD1 3.91Å; H455-F579 AromaticContact NE2-CD1 3.97Å; K577-F579 HydrophobicContact CB-CE2 3.92Å; K577-F579 HydrophobicContact CB-CZ 4.26Å; F579-L633 HydrophobicContact CD1-CD2 3.67Å; F579-L633 HydrophobicContact CE1-CD2 4.1Å; F579-L633 HydrophobicContact CG-CD2 4.22Å; F579-M635 HydrophobicContact CD2-CE 4.03Å; F579-M635 HydrophobicContact CE2-CB 4.47Å; F579-M635 HydrophobicContact CE2-CE 3.27Å; F579-M635 HydrophobicContact CE2-SD 4.35Å; F579-M635 HydrophobicContact CZ-CE 3.83Å; F579-V641 HydrophobicContact CD2-CG1 3.6Å; F579-V641 HydrophobicContact CE2-CG1 3.66Å; F579-M642 PolarHBondContact N-O 2.81Å; F579-W643 HydrophobicContact CB-CD2 3.99Å; F579-W643 HydrophobicContact CB-CE3 3.33Å; F579-W643 HydrophobicContact CB-CH2 4.43Å; F579-W643 HydrophobicContact CB-CZ3 3.57Å; F579-W643 AromaticContact CD2-CD2 3.97Å; F579-W643 HydrophobicContact CD2-CD2 3.97Å; F579-W643 AromaticContact CD2-CE2 3.92Å; F579-W643 AromaticContact CD2-CE3 3.91Å; F579-W643 HydrophobicContact CD2-CE3 3.91Å; F579-W643 AromaticContact CD2-CH2 3.81Å; F579-W643 HydrophobicContact CD2-CH2 3.81Å; F579-W643 AromaticContact CD2-CZ2 3.9Å; F579-W643 HydrophobicContact CD2-CZ2 3.9Å; F579-W643 AromaticContact CD2-CZ3 3.8Å; F579-W643 HydrophobicContact CD2-CZ3 3.8Å; F579-W643 HydrophobicContact CE2-CH2 4.31Å; F579-W643 HydrophobicContact CE2-CZ2 4.3Å; F579-W643 HydrophobicContact CG-CD2 4.38Å; F579-W643 AromaticContact CG-CE3 3.89Å; F579-W643 HydrophobicContact CG-CE3 3.89Å; F579-W643 HydrophobicContact CG-CH2 4.13Å; F579-W643 AromaticContact CG-CZ3 3.72Å; F579-W643 HydrophobicContact CG-CZ3 3.72Å; F579-Y644 PolarHBondContact O-N 3.03Å |
| 580 | F | 98.1 | Very high | 95 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 1% | 0.013 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122 | 179.5 | -60.5 | -92.9 | 0 | 0 | 0 | 108.3 | H455 H456 L459 V462 P557 E578 N623 Y644 F646 | H455-F580 AromaticContact NE2-CD2 3.96Å; H455-F580 PolarHBondContact NE2-N 3.07Å; H456-F580 AromaticContact NE2-CD2 3.93Å; L459-F580 HydrophobicContact CD1-CB 4.25Å; V462-F580 HydrophobicContact CB-CZ 4.3Å; V462-F580 HydrophobicContact CG1-CE1 3.81Å; V462-F580 HydrophobicContact CG1-CE2 4.47Å; V462-F580 HydrophobicContact CG1-CZ 3.73Å; V462-F580 HydrophobicContact CG2-CD1 3.98Å; V462-F580 HydrophobicContact CG2-CD2 3.74Å; V462-F580 HydrophobicContact CG2-CE1 3.81Å; V462-F580 HydrophobicContact CG2-CE2 3.59Å; V462-F580 HydrophobicContact CG2-CG 3.95Å; V462-F580 HydrophobicContact CG2-CZ 3.63Å; P557-F580 HydrophobicContact CB-CD1 3.72Å; P557-F580 HydrophobicContact CB-CE1 4.27Å; P557-F580 HydrophobicContact CB-CG 4.43Å; P557-F580 HydrophobicContact CG-CD1 4.03Å; P557-F580 HydrophobicContact CG-CG 4.32Å; E578-F580 HydrophobicContact CB-CE2 4.03Å; E578-F580 HydrophobicContact CB-CZ 4.39Å; F580-N623 PolarHBondContact O-ND2 2.82Å; F580-Y644 CarbonylContact C-O 3.49Å; F580-Y644 VanDerWaalsContact CA-O 3.31Å; F580-Y644 WeakPolarHBondContact CA-O 3.38Å; F580-Y644 AromaticContact CD1-CD2 3.88Å; F580-Y644 HydrophobicContact CD1-CD2 3.88Å; F580-Y644 HydrophobicContact CD1-CG 4.18Å; F580-Y644 AromaticContact CE1-CD2 3.34Å; F580-Y644 HydrophobicContact CE1-CD2 3.34Å; F580-Y644 HydrophobicContact CE1-CE2 4.05Å; F580-Y644 AromaticContact CE1-CG 3.9Å; F580-Y644 HydrophobicContact CE1-CG 3.9Å; F580-Y644 HydrophobicContact CE2-CD2 4.31Å; F580-Y644 AromaticContact CZ-CD2 3.58Å; F580-Y644 HydrophobicContact CZ-CD2 3.58Å; F580-Y644 AromaticContact CZ-CE2 3.95Å; F580-Y644 HydrophobicContact CZ-CE2 3.95Å; F580-F646 HydrophobicContact CB-CE2 4.16Å; F580-F646 HydrophobicContact CD1-CE2 4.02Å; F580-F646 HydrophobicContact CD1-CZ 4.04Å |
| 581 | L | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 112.5 | -177.1 | -57.9 | 179.9 | 0 | 0 | 0 | 110.7 | F583 I622 N623 L630 L633 W643 Y644 T645 F646 F659 V696 | L581-F583 HydrophobicContact CB-CD2 4.29Å; L581-F583 HydrophobicContact CB-CE2 3.71Å; L581-F583 HydrophobicContact CD1-CE2 4.16Å; L581-F583 HydrophobicContact CD1-CZ 4.48Å; L581-I622 HydrophobicContact CB-CG2 4.09Å; L581-I622 HydrophobicContact CD2-CG2 4.01Å; L581-N623 WeakPolarHBondContact CA-OD1 3.18Å; L581-L630 HydrophobicContact CD2-CD2 3.93Å; L581-L633 HydrophobicContact CD2-CD1 4.42Å; L581-L633 HydrophobicContact CD2-CD2 4.18Å; L581-W643 HydrophobicContact CD1-CE3 3.69Å; L581-W643 HydrophobicContact CD1-CZ3 3.74Å; L581-W643 HydrophobicContact CG-CE3 4.16Å; L581-W643 HydrophobicContact CG-CZ3 4.27Å; L581-Y644 PolarHBondContact N-O 3.5Å; L581-T645 HydrophobicContact CB-CG2 4.33Å; L581-T645 CarbonylContact O-C 3.52Å; L581-T645 WeakPolarHBondContact O-CA 3.5Å; L581-F646 WeakPolarHBondContact O-CD2 3.45Å; L581-F646 PolarHBondContact O-N 3.47Å; L581-F659 HydrophobicContact CD1-CZ 4.41Å; L581-V696 HydrophobicContact CD1-CG2 4.27Å |
| 582 | L | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120.3 | 169.9 | 172.2 | 69.3 | 0 | 0 | 0 | 109 | L459 V555 M586 I622 N623 F646 L648 | L459-L582 HydrophobicContact CD1-CB 4.26Å; L459-L582 HydrophobicContact CD2-CB 3.79Å; L459-L582 HydrophobicContact CD2-CD2 3.7Å; L459-L582 HydrophobicContact CD2-CG 4.37Å; L459-L582 HydrophobicContact CG-CB 4.31Å; V555-L582 HydrophobicContact CG1-CD2 3.52Å; V555-L582 HydrophobicContact CG2-CD2 4.28Å; L582-M586 HydrophobicContact CD2-CE 4.3Å; L582-I622 CarbonylContact O-C 3.59Å; L582-I622 VanDerWaalsContact O-CA 3.25Å; L582-I622 WeakPolarHBondContact O-CA 3.3Å; L582-N623 PolarHBondContact N-OD1 2.84Å; L582-N623 PolarHBondContact O-N 3.07Å; L582-F646 HydrophobicContact CB-CB 4.41Å; L582-F646 HydrophobicContact CD1-CB 3.73Å; L582-L648 HydrophobicContact CD1-CB 3.79Å; L582-L648 HydrophobicContact CD1-CD2 4.49Å |
| 583 | F | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 124.2 | 170.8 | -70.7 | -108.2 | 0 | 0 | 0 | 107.5 | L581 I622 F646 G647 L648 H655 V657 L676 V696 M708 | L581-F583 HydrophobicContact CB-CD2 4.29Å; L581-F583 HydrophobicContact CB-CE2 3.71Å; L581-F583 HydrophobicContact CD1-CE2 4.16Å; L581-F583 HydrophobicContact CD1-CZ 4.48Å; F583-I622 HydrophobicContact CD1-CD1 4.03Å; F583-I622 HydrophobicContact CD1-CG1 3.79Å; F583-I622 HydrophobicContact CD2-CG2 4.48Å; F583-I622 HydrophobicContact CE1-CD1 3.31Å; F583-I622 HydrophobicContact CE1-CG1 3.6Å; F583-I622 HydrophobicContact CE2-CG2 4.15Å; F583-I622 HydrophobicContact CG-CG1 4.31Å; F583-I622 HydrophobicContact CZ-CD1 3.59Å; F583-I622 HydrophobicContact CZ-CG1 3.96Å; F583-I622 HydrophobicContact CZ-CG2 4.22Å; F583-F646 PolarHBondContact N-O 2.65Å; F583-G647 WeakPolarHBondContact O-CA 3.14Å; F583-L648 PolarHBondContact O-N 3.37Å; F583-H655 HydrophobicContact CB-CB 4.19Å; F583-V657 HydrophobicContact CD1-CG2 3.71Å; F583-V657 HydrophobicContact CD2-CG2 3.78Å; F583-V657 HydrophobicContact CE1-CB 4.28Å; F583-V657 HydrophobicContact CE1-CG1 3.94Å; F583-V657 HydrophobicContact CE1-CG2 3.59Å; F583-V657 HydrophobicContact CE2-CB 4.35Å; F583-V657 HydrophobicContact CE2-CG1 3.71Å; F583-V657 HydrophobicContact CE2-CG2 3.67Å; F583-V657 HydrophobicContact CG-CG2 3.83Å; F583-V657 HydrophobicContact CZ-CB 4.06Å; F583-V657 HydrophobicContact CZ-CG1 3.31Å; F583-V657 HydrophobicContact CZ-CG2 3.6Å; F583-L676 HydrophobicContact CD2-CD1 4.05Å; F583-L676 HydrophobicContact CG-CD1 4.49Å; F583-V696 HydrophobicContact CZ-CG2 4.28Å; F583-M708 HydrophobicContact CB-SD 4.24Å; F583-M708 HydrophobicContact CD1-CG 3.94Å; F583-M708 HydrophobicContact CD1-SD 3.65Å; F583-M708 HydrophobicContact CE1-CG 4.36Å; F583-M708 HydrophobicContact CG-SD 4.43Å |
| 584 | S | 97.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.028 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 137.5 | -178.7 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | M586 A621 L648 D653 | S584-M586 PolarHBondContact O-N 2.93Å; S584-A621 PolarHBondContact N-O 3.26Å; S584-A621 PolarHBondContact O-N 3.19Å; S584-L648 WeakPolarHBondContact CA-O 3.37Å; S584-L648 VanDerWaalsContact CB-O 3.25Å; S584-L648 WeakPolarHBondContact CB-O 3.4Å; S584-L648 PolarHBondContact OG-O 3.26Å; S584-D653 VanDerWaalsContact CA-OD1 3.29Å; S584-D653 WeakPolarHBondContact CA-OD1 3.32Å |
| 585 | V | 98.1 | Very high | 97 | Very high | 12 Ų | 12 | 25.8 Ų | 25.8 | 7% | 0.073 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 96.5 | 159.8 | -173.2 | 0 | 0 | 0 | 0 | 107 | D587 K618 D653 M708 | V585-D587 PolarHBondContact O-N 3.43Å; V585-D587 VanDerWaalsContact O-N 3.12Å; V585-K618 HydrophobicContact CG1-CB 3.89Å; V585-D653 PolarHBondContact N-OD1 3.39Å; V585-M708 HydrophobicContact CG2-CE 4.24Å |
| 586 | M | 97 | Very high | 97.1 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 102.9 | -179.3 | -69.9 | -177.1 | 177.7 | 0 | 0 | 109.2 | Y398 L458 L582 S584 E588 M619 | Y398-M586 HydrophobicContact CE1-CB 4.31Å; Y398-M586 HydrophobicContact CE1-SD 3.79Å; Y398-M586 WeakPolarHBondContact OH-CB 3.42Å; L458-M586 HydrophobicContact CD1-SD 4.49Å; L458-M586 HydrophobicContact CD2-CE 3.78Å; L582-M586 HydrophobicContact CD2-CE 4.3Å; S584-M586 PolarHBondContact O-N 2.93Å; M586-E588 PolarHBondContact O-N 3.03Å; M586-M619 HydrophobicContact CB-CB 4.32Å; M586-M619 PolarHBondContact N-O 3.34Å; M586-M619 PolarHBondContact O-N 2.82Å |
| 587 | D | 97.8 | Very high | 97.2 | Very high | 22 Ų | 22 | 24.7 Ų | 24.7 | 12% | 0.118 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 98.8 | -178.6 | -170.8 | -11.7 | 0 | 0 | 0 | 110.6 | N551 V585 N589 L590 | N551-D587 WeakPolarHBondContact CB-O 3.45Å; N551-D587 PolarHBondContact OD1-N 3.19Å; V585-D587 PolarHBondContact O-N 3.43Å; V585-D587 VanDerWaalsContact O-N 3.12Å; D587-N589 PolarHBondContact O-N 2.8Å; D587-N589 WeakPolarHBondContact OD1-CA 3.47Å; D587-N589 WeakPolarHBondContact OD1-CB 3.17Å; D587-N589 VanDerWaalsContact OD1-CG 3.29Å; D587-N589 PolarHBondContact OD1-N 2.59Å; D587-N589 PolarHBondContact OD1-ND2 3.05Å; D587-L590 HydrophobicContact CB-CD1 4.28Å; D587-L590 HydrophobicContact CB-CG 4.37Å; D587-L590 PolarHBondContact O-N 3.44Å; D587-L590 VanDerWaalsContact O-N 3.15Å |
| 588 | E | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -70.2 | -14.2 | 178.2 | -62.9 | -74.5 | -173 | 0 | 0 | 112.6 | Y398 Y433 K435 M586 L590 S591 N617 M619 | Y398-E588 WeakPolarHBondContact CE2-OE1 3.3Å; Y398-E588 PolarHBondContact OH-OE1 3.3Å; Y433-E588 HydrophobicContact CD1-CB 3.86Å; Y433-E588 HydrophobicContact CD1-CG 3.64Å; Y433-E588 HydrophobicContact CD2-CG 4.21Å; Y433-E588 HydrophobicContact CE1-CB 3.7Å; Y433-E588 HydrophobicContact CE1-CG 3.72Å; Y433-E588 HydrophobicContact CE2-CG 4.26Å; Y433-E588 HydrophobicContact CG-CG 3.91Å; K435-E588 WeakPolarHBondContact CD-OE1 3.25Å; K435-E588 IonicContact NZ-OE1 2.68Å; K435-E588 PolarHBondContact NZ-OE1 2.86Å; K435-E588 IonicContact NZ-OE2 3.17Å; K435-E588 PolarHBondContact NZ-OE2 3.14Å; K435-E588 VanDerWaalsContact NZ-OE2 3.1Å; M586-E588 PolarHBondContact O-N 3.03Å; E588-L590 PolarHBondContact O-N 2.82Å; E588-S591 WeakPolarHBondContact O-CB 3.43Å; E588-S591 PolarHBondContact O-N 2.85Å; E588-S591 VanDerWaalsContact O-N 3.16Å; E588-S591 WeakPolarHBondContact OE2-CB 3.3Å; E588-S591 PolarHBondContact OE2-OG 3.33Å; E588-N617 HydrophobicContact CB-CB 4.17Å; E588-N617 PolarHBondContact N-O 3.3Å; E588-M619 HydrophobicContact CG-CG 4.27Å |
| 589 | N | 97.2 | Very high | 97.3 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 16% | 0.16 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -66.6 | -30.3 | 171.8 | -50.3 | -67.3 | 0 | 0 | 0 | 111 | D587 S591 V614 N617 | D587-N589 PolarHBondContact O-N 2.8Å; D587-N589 WeakPolarHBondContact OD1-CA 3.47Å; D587-N589 WeakPolarHBondContact OD1-CB 3.17Å; D587-N589 VanDerWaalsContact OD1-CG 3.29Å; D587-N589 PolarHBondContact OD1-N 2.59Å; D587-N589 PolarHBondContact OD1-ND2 3.05Å; N589-S591 VanDerWaalsContact C-N 3.33Å; N589-V614 PolarHBondContact ND2-O 3.01Å; N589-N617 WeakPolarHBondContact OD1-CB 3.45Å; N589-N617 PolarHBondContact OD1-ND2 3.29Å |
| 590 | L | 96.3 | Very high | 97.1 | Very high | 44 Ų | 44 | 34 Ų | 34 | 23% | 0.23 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -89.8 | 2.7 | 175.6 | -60.3 | 178 | 0 | 0 | 0 | 112.9 | V547 K548 N551 D587 E588 | V547-L590 HydrophobicContact CG1-CD1 3.87Å; K548-L590 VanDerWaalsContact CA-O 3.29Å; K548-L590 WeakPolarHBondContact CA-O 3.35Å; K548-L590 WeakPolarHBondContact CB-O 3.32Å; K548-L590 VanDerWaalsContact CG-O 3.32Å; K548-L590 WeakPolarHBondContact CG-O 3.06Å; N551-L590 HydrophobicContact CB-CB 4.24Å; D587-L590 HydrophobicContact CB-CD1 4.28Å; D587-L590 HydrophobicContact CB-CG 4.37Å; D587-L590 PolarHBondContact O-N 3.44Å; D587-L590 VanDerWaalsContact O-N 3.15Å; E588-L590 PolarHBondContact O-N 2.82Å |
| 591 | S | 97.1 | Very high | 97 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -72.4 | 141.2 | 177.2 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | E588 N589 Y593 L594 | E588-S591 WeakPolarHBondContact O-CB 3.43Å; E588-S591 PolarHBondContact O-N 2.85Å; E588-S591 VanDerWaalsContact O-N 3.16Å; E588-S591 WeakPolarHBondContact OE2-CB 3.3Å; E588-S591 PolarHBondContact OE2-OG 3.33Å; N589-S591 VanDerWaalsContact C-N 3.33Å; S591-Y593 PolarHBondContact O-N 2.73Å; S591-Y593 PolarHBondContact OG-N 2.86Å; S591-L594 PolarHBondContact O-N 3.1Å |
| 592 | W | 97.5 | Very high | 96.6 | Very high | 68 Ų | 68 | 36.4 Ų | 36.4 | 26% | 0.258 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -21 | 170.3 | -74.6 | 117.1 | 0 | 0 | 0 | 113.2 | Y483 D545 K548 D549 S552 | Y483-W592 AromaticContact CE1-CD1 3.96Å; D545-W592 HydrophobicContact CB-CZ2 3.59Å; K548-W592 HydrophobicContact CB-CD2 3.97Å; K548-W592 VanDerWaalsContact CB-CE2 3.5Å; K548-W592 HydrophobicContact CB-CG 4.2Å; K548-W592 HydrophobicContact CB-CZ2 3.92Å; K548-W592 HydrophobicContact CD-CD2 3.93Å; K548-W592 HydrophobicContact CD-CE3 3.84Å; K548-W592 HydrophobicContact CD-CH2 3.58Å; K548-W592 HydrophobicContact CD-CZ2 3.69Å; K548-W592 HydrophobicContact CD-CZ3 3.65Å; K548-W592 HydrophobicContact CG-CZ2 4.35Å; D549-W592 PolarHBondContact OD1-NE1 2.99Å; S552-W592 PolarHBondContact OG-N 3.47Å |
| 593 | Y | 97.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 6.5 | -174.1 | -56.4 | -85.1 | 0 | 0 | 0 | 113.1 | E393 V434 V436 Y483 S591 N595 E596 N597 | E393-Y593 HydrophobicContact CG-CE1 3.98Å; V434-Y593 HydrophobicContact CG1-CD1 3.79Å; V434-Y593 HydrophobicContact CG1-CE1 4.3Å; V434-Y593 HydrophobicContact CG1-CG 4.13Å; V434-Y593 WeakPolarHBondContact O-CB 3.25Å; V436-Y593 HydrophobicContact CB-CE2 3.98Å; V436-Y593 HydrophobicContact CG1-CE2 3.73Å; Y483-Y593 WeakPolarHBondContact OH-CE2 3.38Å; Y483-Y593 PolarHBondContact OH-OH 3.39Å; S591-Y593 PolarHBondContact O-N 2.73Å; S591-Y593 PolarHBondContact OG-N 2.86Å; Y593-N595 PolarHBondContact O-N 3Å; Y593-E596 CarbonylContact O-C 3.6Å; Y593-E596 WeakPolarHBondContact O-CA 3.37Å; Y593-E596 WeakPolarHBondContact O-CB 3.23Å; Y593-E596 PolarHBondContact O-N 3.22Å; Y593-N597 WeakPolarHBondContact O-CB 3.45Å; Y593-N597 VanDerWaalsContact O-CG 3.27Å; Y593-N597 PolarHBondContact O-N 2.8Å; Y593-N597 PolarHBondContact O-ND2 3.06Å; Y593-N597 VanDerWaalsContact O-ND2 3.13Å |
| 594 | L | 97.3 | Very high | 95.6 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 9% | 0.094 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -50.5 | -53.7 | 180 | 178.6 | 64 | 0 | 0 | 0 | 112 | I429 S591 E596 N597 I598 F613 | I429-L594 HydrophobicContact CD1-CD1 4.2Å; S591-L594 PolarHBondContact O-N 3.1Å; L594-E596 VanDerWaalsContact C-N 3.28Å; L594-E596 PolarHBondContact O-N 3.49Å; L594-N597 CarbonylContact O-C 3.53Å; L594-N597 WeakPolarHBondContact O-CA 3.36Å; L594-N597 WeakPolarHBondContact O-CB 3.45Å; L594-N597 PolarHBondContact O-N 3.22Å; L594-I598 HydrophobicContact CD1-CD1 4.11Å; L594-I598 HydrophobicContact CD1-CG1 4.28Å; L594-I598 HydrophobicContact CG-CD1 3.92Å; L594-I598 HydrophobicContact CG-CG1 4.47Å; L594-I598 WeakPolarHBondContact O-CG1 3.33Å; L594-I598 PolarHBondContact O-N 2.68Å; L594-F613 HydrophobicContact CD1-CE1 4.4Å; L594-F613 HydrophobicContact CD1-CZ 4.16Å |
| 595 | N | 96.1 | Very high | 95.2 | Very high | 114 Ų | 114 | 50.7 Ų | 50.7 | 61% | 0.61 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58.3 | -37.5 | 178.2 | -81.2 | -57.1 | 0 | 0 | 0 | 113.4 | Y593 K599 | Y593-N595 PolarHBondContact O-N 3Å; N595-K599 WeakPolarHBondContact O-CB 3.44Å; N595-K599 PolarHBondContact O-N 2.9Å; N595-K599 VanDerWaalsContact O-N 3.14Å |
| 596 | E | 95.9 | Very high | 94.8 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 175.7 | -178.5 | 170.4 | 179.3 | 0 | 0 | 111.1 | Y593 L594 K599 L600 | Y593-E596 CarbonylContact O-C 3.6Å; Y593-E596 WeakPolarHBondContact O-CA 3.37Å; Y593-E596 WeakPolarHBondContact O-CB 3.23Å; Y593-E596 PolarHBondContact O-N 3.22Å; L594-E596 VanDerWaalsContact C-N 3.28Å; L594-E596 PolarHBondContact O-N 3.49Å; E596-K599 PolarHBondContact O-N 2.81Å; E596-L600 HydrophobicContact CG-CD1 3.81Å; E596-L600 HydrophobicContact CG-CG 4.33Å; E596-L600 WeakPolarHBondContact O-CB 3.28Å; E596-L600 VanDerWaalsContact O-CG 3.29Å; E596-L600 WeakPolarHBondContact O-CG 3.21Å; E596-L600 PolarHBondContact O-N 2.83Å |
| 597 | N | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.9 | -71.6 | -36.4 | 0 | 0 | 0 | 112 | I429 Y433 V434 Y593 L594 K599 L600 F601 G602 | I429-N597 HydrophobicContact CD1-CB 4.16Å; Y433-N597 HydrophobicContact CD1-CB 4.16Å; V434-N597 WeakPolarHBondContact CB-OD1 3.25Å; V434-N597 PolarHBondContact N-OD1 2.84Å; V434-N597 PolarHBondContact O-ND2 3.13Å; Y593-N597 WeakPolarHBondContact O-CB 3.45Å; Y593-N597 VanDerWaalsContact O-CG 3.27Å; Y593-N597 PolarHBondContact O-N 2.8Å; Y593-N597 PolarHBondContact O-ND2 3.06Å; Y593-N597 VanDerWaalsContact O-ND2 3.13Å; L594-N597 CarbonylContact O-C 3.53Å; L594-N597 WeakPolarHBondContact O-CA 3.36Å; L594-N597 WeakPolarHBondContact O-CB 3.45Å; L594-N597 PolarHBondContact O-N 3.22Å; N597-K599 VanDerWaalsContact C-N 3.29Å; N597-K599 PolarHBondContact O-N 2.85Å; N597-L600 PolarHBondContact O-N 2.82Å; N597-F601 HydrophobicContact CB-CD2 4.42Å; N597-F601 WeakPolarHBondContact O-CA 3.15Å; N597-F601 WeakPolarHBondContact O-CB 3.25Å; N597-F601 PolarHBondContact O-N 3.33Å; N597-G602 PolarHBondContact O-N 3.2Å |
| 598 | I | 96.3 | Very high | 94.3 | Very high | 32 Ų | 32 | 59.1 Ų | 59.1 | 16% | 0.164 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 172.9 | -66.5 | 169.5 | 0 | 0 | 0 | 110.1 | I429 L594 L600 G602 T606 E608 F613 | I429-I598 HydrophobicContact CD1-CG1 4Å; L594-I598 HydrophobicContact CD1-CD1 4.11Å; L594-I598 HydrophobicContact CD1-CG1 4.28Å; L594-I598 HydrophobicContact CG-CD1 3.92Å; L594-I598 HydrophobicContact CG-CG1 4.47Å; L594-I598 WeakPolarHBondContact O-CG1 3.33Å; L594-I598 PolarHBondContact O-N 2.68Å; I598-L600 PolarHBondContact O-N 3.13Å; I598-G602 WeakPolarHBondContact O-CA 3.23Å; I598-G602 PolarHBondContact O-N 3.31Å; I598-T606 HydrophobicContact CD1-CG2 4.41Å; I598-T606 HydrophobicContact CG1-CG2 4.21Å; I598-T606 HydrophobicContact CG2-CG2 3.93Å; I598-E608 HydrophobicContact CD1-CG 3.64Å; I598-E608 WeakPolarHBondContact CD1-OE1 3.24Å; I598-F613 HydrophobicContact CD1-CZ 3.92Å; I598-F613 HydrophobicContact CG1-CZ 3.98Å |
| 599 | K | 95.2 | Very high | 93.9 | Very high | 183 Ų | 183 | 67.7 Ų | 67.7 | 80% | 0.796 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.3 | -36.8 | 178.9 | -176.1 | -179.9 | 175.9 | -175 | 0 | 113.5 | N595 E596 N597 | N595-K599 WeakPolarHBondContact O-CB 3.44Å; N595-K599 PolarHBondContact O-N 2.9Å; N595-K599 VanDerWaalsContact O-N 3.14Å; E596-K599 PolarHBondContact O-N 2.81Å; N597-K599 VanDerWaalsContact C-N 3.29Å; N597-K599 PolarHBondContact O-N 2.85Å |
| 600 | L | 94.8 | Very high | 93.7 | Very high | 94 Ų | 94 | 69.1 Ų | 69.1 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -83.1 | -37.8 | -177.3 | -71.8 | 174.1 | 0 | 0 | 0 | 112.8 | V434 E596 N597 I598 | V434-L600 HydrophobicContact CG2-CD1 3.55Å; E596-L600 HydrophobicContact CG-CD1 3.81Å; E596-L600 HydrophobicContact CG-CG 4.33Å; E596-L600 WeakPolarHBondContact O-CB 3.28Å; E596-L600 VanDerWaalsContact O-CG 3.29Å; E596-L600 WeakPolarHBondContact O-CG 3.21Å; E596-L600 PolarHBondContact O-N 2.83Å; N597-L600 PolarHBondContact O-N 2.82Å; I598-L600 PolarHBondContact O-N 3.13Å |
| 601 | F | 94.4 | Very high | 93.5 | Very high | 34 Ų | 34 | 75 Ų | 75 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -128.9 | -16.3 | -165.7 | -53.3 | -60 | 0 | 0 | 0 | 114 | Q395 R424 I429 T432 V434 N597 | Q395-F601 HydrophobicContact CG-CZ 4.25Å; R424-F601 PolarHBondContact NE-O 2.82Å; R424-F601 PolarHBondContact NH2-O 3.15Å; I429-F601 HydrophobicContact CG2-CB 3.81Å; I429-F601 HydrophobicContact CG2-CD2 4.42Å; T432-F601 HydrophobicContact CG2-CE1 4.41Å; T432-F601 HydrophobicContact CG2-CZ 4.12Å; T432-F601 VanDerWaalsContact O-CD2 3.25Å; T432-F601 WeakPolarHBondContact O-CD2 3.23Å; T432-F601 WeakPolarHBondContact O-CE2 3.41Å; V434-F601 HydrophobicContact CG2-CE2 4.37Å; N597-F601 HydrophobicContact CB-CD2 4.42Å; N597-F601 WeakPolarHBondContact O-CA 3.15Å; N597-F601 WeakPolarHBondContact O-CB 3.25Å; N597-F601 PolarHBondContact O-N 3.33Å |
| 602 | G | 90.3 | Very high | 93.2 | Very high | 20 Ų | 20 | 79.9 Ų | 79.9 | 21% | 0.206 | 41% | 0.413 | C | S | . | . | trans | -67.5 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N597 I598 | N597-G602 PolarHBondContact O-N 3.2Å; I598-G602 WeakPolarHBondContact O-CA 3.23Å; I598-G602 PolarHBondContact O-N 3.31Å | ||
| 603 | T | 88.8 | Confident | 93.1 | Very high | 54 Ų | 54 | 76.7 Ų | 76.7 | 33% | 0.331 | 40% | 0.401 | S | S | . | . | trans | -125.6 | 178.4 | -179.5 | 72.6 | 0 | 0 | 0 | 0 | 110.6 | E605 T606 | T603-E605 PolarHBondContact O-N 2.76Å; T603-E605 PolarHBondContact OG1-N 3.16Å; T603-T606 PolarHBondContact N-OG1 3.31Å; T603-T606 PolarHBondContact O-N 3.4Å; T603-T606 PolarHBondContact O-OG1 3.14Å | ||
| 604 | A | 87 | Confident | 93 | Very high | 111 Ų | 111 | 78.7 Ų | 78.7 | 92% | 0.917 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -12.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 605 | E | 88.8 | Confident | 92.9 | Very high | 141 Ų | 141 | 80.9 Ų | 80.9 | 66% | 0.659 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -1.9 | 180 | -63.3 | 172.7 | 179.2 | 0 | 0 | 112.3 | T603 D607 | T603-E605 PolarHBondContact O-N 2.76Å; T603-E605 PolarHBondContact OG1-N 3.16Å; E605-D607 PolarHBondContact O-N 3.39Å |
| 606 | T | 90.9 | Very high | 93 | Very high | 29 Ų | 29 | 75.6 Ų | 75.6 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | trans | -65.3 | 124.3 | 179.9 | -61.1 | 0 | 0 | 0 | 0 | 110.6 | G427 I598 T603 F613 | G427-T606 WeakPolarHBondContact O-CB 3.19Å; G427-T606 PolarHBondContact O-OG1 3.4Å; I598-T606 HydrophobicContact CD1-CG2 4.41Å; I598-T606 HydrophobicContact CG1-CG2 4.21Å; I598-T606 HydrophobicContact CG2-CG2 3.93Å; T603-T606 PolarHBondContact N-OG1 3.31Å; T603-T606 PolarHBondContact O-N 3.4Å; T603-T606 PolarHBondContact O-OG1 3.14Å; T606-F613 HydrophobicContact CG2-CD2 3.87Å; T606-F613 HydrophobicContact CG2-CE2 3.4Å; T606-F613 HydrophobicContact CG2-CZ 3.9Å | ||
| 607 | D | 91.9 | Very high | 93.1 | Very high | 88 Ų | 88 | 72.2 Ų | 72.2 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | trans | -128.5 | 123.6 | 176.1 | -170.3 | -7.2 | 0 | 0 | 0 | 108.5 | E605 E609 D610 F613 | E605-D607 PolarHBondContact O-N 3.39Å; D607-E609 VanDerWaalsContact C-N 3.27Å; D607-E609 PolarHBondContact O-N 3.41Å; D607-E609 PolarHBondContact OD1-N 2.86Å; D607-D610 HydrophobicContact CB-CB 4.07Å; D607-D610 PolarHBondContact O-N 3.11Å; D607-F613 WeakPolarHBondContact O-CB 3.42Å; D607-F613 VanDerWaalsContact O-CD1 3.26Å; D607-F613 WeakPolarHBondContact O-CD1 3.42Å; D607-F613 WeakPolarHBondContact O-CG 3.39Å | ||
| 608 | E | 91.6 | Very high | 93.1 | Very high | 98 Ų | 98 | 75.5 Ų | 75.5 | 46% | 0.458 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -20.4 | -176.2 | -69 | 175 | -137.4 | 0 | 0 | 112.4 | I598 F613 | I598-E608 HydrophobicContact CD1-CG 3.64Å; I598-E608 WeakPolarHBondContact CD1-OE1 3.24Å; E608-F613 HydrophobicContact CB-CE1 4.41Å; E608-F613 HydrophobicContact CG-CE1 4.13Å |
| 609 | E | 90.3 | Very high | 93.2 | Very high | 180 Ų | 180 | 74 Ų | 74 | 84% | 0.841 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -8.1 | 179.5 | -62.3 | -180 | -177.9 | 0 | 0 | 112.5 | D607 | D607-E609 VanDerWaalsContact C-N 3.27Å; D607-E609 PolarHBondContact O-N 3.41Å; D607-E609 PolarHBondContact OD1-N 2.86Å |
| 610 | D | 93.1 | Very high | 93.3 | Very high | 61 Ų | 61 | 65.6 Ų | 65.6 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | trans | -74.8 | 127.5 | 178.3 | -178.1 | -101.6 | 0 | 0 | 0 | 111.2 | D607 N612 F613 V614 | D607-D610 HydrophobicContact CB-CB 4.07Å; D607-D610 PolarHBondContact O-N 3.11Å; D610-N612 VanDerWaalsContact C-N 3.25Å; D610-N612 PolarHBondContact O-N 3.37Å; D610-N612 WeakPolarHBondContact OD1-CA 3.25Å; D610-N612 WeakPolarHBondContact OD1-CB 3.42Å; D610-N612 PolarHBondContact OD1-N 3.18Å; D610-N612 PolarHBondContact OD1-ND2 3.06Å; D610-N612 VanDerWaalsContact OD1-ND2 3.13Å; D610-F613 HydrophobicContact CB-CB 4.15Å; D610-F613 WeakPolarHBondContact O-CA 3.35Å; D610-F613 WeakPolarHBondContact O-CB 3.33Å; D610-F613 PolarHBondContact O-N 2.72Å; D610-F613 PolarHBondContact OD1-N 3.42Å; D610-F613 VanDerWaalsContact OD1-N 3.14Å; D610-V614 PolarHBondContact O-N 3.06Å | ||
| 611 | E | 91.2 | Very high | 93.4 | Very high | 167 Ų | 167 | 61.1 Ų | 61.1 | 78% | 0.78 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.4 | -34.8 | -178.6 | -68.7 | 175 | -178.6 | 0 | 0 | 112.7 | F613 V614 E615 | E611-F613 VanDerWaalsContact C-N 3.34Å; E611-V614 PolarHBondContact O-N 3Å; E611-E615 WeakPolarHBondContact O-CB 3.19Å; E611-E615 PolarHBondContact O-N 2.96Å |
| 612 | N | 91.6 | Very high | 93.6 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -71.3 | -33.9 | 177.7 | -48.1 | -79.5 | 0 | 0 | 0 | 111.3 | D610 S616 | D610-N612 VanDerWaalsContact C-N 3.25Å; D610-N612 PolarHBondContact O-N 3.37Å; D610-N612 WeakPolarHBondContact OD1-CA 3.25Å; D610-N612 WeakPolarHBondContact OD1-CB 3.42Å; D610-N612 PolarHBondContact OD1-N 3.18Å; D610-N612 PolarHBondContact OD1-ND2 3.06Å; D610-N612 VanDerWaalsContact OD1-ND2 3.13Å; N612-S616 VanDerWaalsContact O-CB 3.26Å; N612-S616 WeakPolarHBondContact O-CB 3.28Å; N612-S616 PolarHBondContact O-N 3.45Å; N612-S616 PolarHBondContact O-OG 2.96Å |
| 613 | F | 95.6 | Very high | 94 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -49.2 | 172.5 | 175 | -98 | 0 | 0 | 0 | 110.7 | I429 L594 I598 T606 D607 E608 D610 E611 E615 S616 N617 | I429-F613 HydrophobicContact CD1-CE2 3.99Å; I429-F613 HydrophobicContact CD1-CZ 3.97Å; I429-F613 HydrophobicContact CG1-CE2 4.03Å; I429-F613 HydrophobicContact CG1-CZ 4.5Å; L594-F613 HydrophobicContact CD1-CE1 4.4Å; L594-F613 HydrophobicContact CD1-CZ 4.16Å; I598-F613 HydrophobicContact CD1-CZ 3.92Å; I598-F613 HydrophobicContact CG1-CZ 3.98Å; T606-F613 HydrophobicContact CG2-CD2 3.87Å; T606-F613 HydrophobicContact CG2-CE2 3.4Å; T606-F613 HydrophobicContact CG2-CZ 3.9Å; D607-F613 WeakPolarHBondContact O-CB 3.42Å; D607-F613 VanDerWaalsContact O-CD1 3.26Å; D607-F613 WeakPolarHBondContact O-CD1 3.42Å; D607-F613 WeakPolarHBondContact O-CG 3.39Å; E608-F613 HydrophobicContact CB-CE1 4.41Å; E608-F613 HydrophobicContact CG-CE1 4.13Å; D610-F613 HydrophobicContact CB-CB 4.15Å; D610-F613 WeakPolarHBondContact O-CA 3.35Å; D610-F613 WeakPolarHBondContact O-CB 3.33Å; D610-F613 PolarHBondContact O-N 2.72Å; D610-F613 PolarHBondContact OD1-N 3.42Å; D610-F613 VanDerWaalsContact OD1-N 3.14Å; E611-F613 VanDerWaalsContact C-N 3.34Å; F613-E615 VanDerWaalsContact C-N 3.33Å; F613-E615 PolarHBondContact O-N 3.14Å; F613-S616 PolarHBondContact O-N 3.41Å; F613-S616 PolarHBondContact O-OG 2.78Å; F613-N617 WeakPolarHBondContact CE1-ND2 3.11Å; F613-N617 WeakPolarHBondContact CZ-ND2 3.31Å; F613-N617 PolarHBondContact O-N 2.82Å; F613-N617 PolarHBondContact O-ND2 3.31Å; F613-N617 VanDerWaalsContact O-ND2 3.15Å |
| 614 | V | 95.5 | Very high | 94.4 | Very high | 45 Ų | 45 | 56 Ų | 56 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.9 | -49.1 | 177.4 | 174 | 0 | 0 | 0 | 0 | 110.4 | N589 D610 E611 S616 N617 | N589-V614 PolarHBondContact ND2-O 3.01Å; D610-V614 PolarHBondContact O-N 3.06Å; E611-V614 PolarHBondContact O-N 3Å; V614-S616 PolarHBondContact O-N 3.28Å; V614-N617 PolarHBondContact O-N 2.96Å |
| 615 | E | 95.6 | Very high | 95 | Very high | 65 Ų | 65 | 51.1 Ų | 51.1 | 30% | 0.304 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 179.6 | -172.8 | 54.7 | -148 | 0 | 0 | 112.7 | V420 F421 E611 F613 N617 K618 | V420-E615 HydrophobicContact CG1-CG 4.19Å; F421-E615 WeakPolarHBondContact CE1-O 3.42Å; E611-E615 WeakPolarHBondContact O-CB 3.19Å; E611-E615 PolarHBondContact O-N 2.96Å; F613-E615 VanDerWaalsContact C-N 3.33Å; F613-E615 PolarHBondContact O-N 3.14Å; E615-N617 PolarHBondContact O-N 2.9Å; E615-K618 PolarHBondContact O-N 3.17Å; E615-K618 WeakPolarHBondContact OE2-CD 3.43Å; E615-K618 IonicContact OE2-NZ 3.75Å; E615-K618 PolarHBondContact OE2-NZ 3.25Å |
| 616 | S | 96.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -21.7 | 177.8 | 76.7 | 0 | 0 | 0 | 0 | 113.9 | V420 N612 F613 V614 | V420-S616 WeakPolarHBondContact O-CB 3.39Å; N612-S616 VanDerWaalsContact O-CB 3.26Å; N612-S616 WeakPolarHBondContact O-CB 3.28Å; N612-S616 PolarHBondContact O-N 3.45Å; N612-S616 PolarHBondContact O-OG 2.96Å; F613-S616 PolarHBondContact O-N 3.41Å; F613-S616 PolarHBondContact O-OG 2.78Å; V614-S616 PolarHBondContact O-N 3.28Å |
| 617 | N | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -2 | -177.9 | -65.5 | -30.9 | 0 | 0 | 0 | 113.3 | Y433 E588 N589 F613 V614 E615 M619 | Y433-N617 PolarHBondContact OH-OD1 2.81Å; E588-N617 HydrophobicContact CB-CB 4.17Å; E588-N617 PolarHBondContact N-O 3.3Å; N589-N617 WeakPolarHBondContact OD1-CB 3.45Å; N589-N617 PolarHBondContact OD1-ND2 3.29Å; F613-N617 WeakPolarHBondContact CE1-ND2 3.11Å; F613-N617 WeakPolarHBondContact CZ-ND2 3.31Å; F613-N617 PolarHBondContact O-N 2.82Å; F613-N617 PolarHBondContact O-ND2 3.31Å; F613-N617 VanDerWaalsContact O-ND2 3.15Å; V614-N617 PolarHBondContact O-N 2.96Å; E615-N617 PolarHBondContact O-N 2.9Å; N617-M619 PolarHBondContact O-N 3.01Å |
| 618 | K | 97.6 | Very high | 96 | Very high | 69 Ų | 69 | 39.5 Ų | 39.5 | 30% | 0.3 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 90.6 | 174.1 | -68.9 | -173.1 | -169.3 | 164.9 | 0 | 110.9 | F421 V585 E615 H620 | F421-K618 WeakPolarHBondContact CD1-O 3.46Å; F421-K618 WeakPolarHBondContact CE1-O 3.48Å; V585-K618 HydrophobicContact CG1-CB 3.89Å; E615-K618 PolarHBondContact O-N 3.17Å; E615-K618 WeakPolarHBondContact OE2-CD 3.43Å; E615-K618 IonicContact OE2-NZ 3.75Å; E615-K618 PolarHBondContact OE2-NZ 3.25Å; K618-H620 PolarHBondContact O-CE1 3.44Å; K618-H620 PolarHBondContact O-N 2.87Å; K618-H620 PolarHBondContact O-ND1 3.28Å |
| 619 | M | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 97.4 | -171.1 | -56.7 | -58.1 | -78.5 | 0 | 0 | 111.9 | Y398 F421 F422 Y433 M586 E588 N617 A621 M626 | Y398-M619 HydrophobicContact CD1-CB 3.78Å; Y398-M619 HydrophobicContact CD1-CE 4.25Å; Y398-M619 HydrophobicContact CD1-CG 4.34Å; Y398-M619 HydrophobicContact CD2-CB 4.34Å; Y398-M619 HydrophobicContact CD2-CE 3.57Å; Y398-M619 HydrophobicContact CD2-CG 4.01Å; Y398-M619 HydrophobicContact CE1-CB 3.45Å; Y398-M619 VanDerWaalsContact CE1-CB 3.45Å; Y398-M619 HydrophobicContact CE1-CG 4.1Å; Y398-M619 HydrophobicContact CE2-CB 4.04Å; Y398-M619 HydrophobicContact CE2-CE 4.27Å; Y398-M619 HydrophobicContact CE2-CG 3.72Å; Y398-M619 HydrophobicContact CG-CB 4.23Å; Y398-M619 HydrophobicContact CG-CE 3.56Å; Y398-M619 HydrophobicContact CG-CG 4.31Å; F421-M619 HydrophobicContact CB-CE 4.38Å; F421-M619 HydrophobicContact CB-SD 4.08Å; F422-M619 HydrophobicContact CE1-CE 4.32Å; F422-M619 HydrophobicContact CE2-CE 4.33Å; F422-M619 HydrophobicContact CZ-CE 3.98Å; Y433-M619 HydrophobicContact CE2-CE 4.29Å; Y433-M619 HydrophobicContact CE2-CG 4.26Å; Y433-M619 HydrophobicContact CE2-SD 4.27Å; M586-M619 HydrophobicContact CB-CB 4.32Å; M586-M619 PolarHBondContact N-O 3.34Å; M586-M619 PolarHBondContact O-N 2.82Å; E588-M619 HydrophobicContact CG-CG 4.27Å; N617-M619 PolarHBondContact O-N 3.01Å; M619-A621 PolarHBondContact O-N 2.83Å; M619-M626 HydrophobicContact CB-SD 4.05Å; M619-M626 HydrophobicContact CE-CE 4.49Å; M619-M626 HydrophobicContact CE-SD 3.55Å; M619-M626 VanDerWaalsContact CE-SD 3.55Å; M619-M626 HydrophobicContact SD-SD 4.35Å |
| 620 | H | 98.1 | Very high | 96.6 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 3% | 0.032 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 85.5 | -178.4 | -65 | 79.6 | 0 | 0 | 0 | 113 | F421 K618 M626 H703 A706 G707 M708 | F421-H620 AromaticContact CE1-ND1 3.9Å; K618-H620 PolarHBondContact O-CE1 3.44Å; K618-H620 PolarHBondContact O-N 2.87Å; K618-H620 PolarHBondContact O-ND1 3.28Å; H620-M626 HydrophobicContact CB-CE 4.24Å; H620-M626 WeakPolarHBondContact O-CG 3.45Å; H620-H703 AromaticContact CD2-CD2 3.46Å; H620-H703 PolarHBondContact CD2-CD2 3.47Å; H620-H703 VanDerWaalsContact CD2-CD2 3.46Å; H620-H703 AromaticContact NE2-CD2 3.84Å; H620-A706 HydrophobicContact CB-CB 3.67Å; H620-A706 VanDerWaalsContact ND1-CB 3.34Å; H620-A706 WeakPolarHBondContact ND1-CB 3.48Å; H620-G707 CarbonylContact O-C 3.53Å; H620-M708 HydrophobicContact CB-CB 4.4Å; H620-M708 HydrophobicContact CB-CE 4.07Å; H620-M708 PolarHBondContact O-N 3.43Å |
| 621 | A | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 153.7 | -162.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y398 S584 M619 M626 | Y398-A621 HydrophobicContact CD1-CB 4.01Å; Y398-A621 HydrophobicContact CE1-CB 4.02Å; S584-A621 PolarHBondContact N-O 3.26Å; S584-A621 PolarHBondContact O-N 3.19Å; M619-A621 PolarHBondContact O-N 2.83Å; A621-M626 HydrophobicContact CB-CG 3.95Å |
| 622 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.9 | 164 | -53.9 | 168.1 | 0 | 0 | 0 | 107.2 | L581 L582 F583 G624 L625 L630 M708 | L581-I622 HydrophobicContact CB-CG2 4.09Å; L581-I622 HydrophobicContact CD2-CG2 4.01Å; L582-I622 CarbonylContact O-C 3.59Å; L582-I622 VanDerWaalsContact O-CA 3.25Å; L582-I622 WeakPolarHBondContact O-CA 3.3Å; F583-I622 HydrophobicContact CD1-CD1 4.03Å; F583-I622 HydrophobicContact CD1-CG1 3.79Å; F583-I622 HydrophobicContact CD2-CG2 4.48Å; F583-I622 HydrophobicContact CE1-CD1 3.31Å; F583-I622 HydrophobicContact CE1-CG1 3.6Å; F583-I622 HydrophobicContact CE2-CG2 4.15Å; F583-I622 HydrophobicContact CG-CG1 4.31Å; F583-I622 HydrophobicContact CZ-CD1 3.59Å; F583-I622 HydrophobicContact CZ-CG1 3.96Å; F583-I622 HydrophobicContact CZ-CG2 4.22Å; I622-G624 PolarHBondContact O-N 3.02Å; I622-L625 PolarHBondContact N-O 2.79Å; I622-L625 PolarHBondContact O-N 3.19Å; I622-L630 HydrophobicContact CG2-CD2 4.05Å; I622-M708 HydrophobicContact CD1-CG 4.05Å; I622-M708 HydrophobicContact CG1-CG 3.64Å |
| 623 | N | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 30.3 | -173 | -65.4 | -10.2 | 0 | 0 | 0 | 113.6 | H455 H456 G457 L458 L459 F580 L581 L582 L625 L630 | H455-N623 PolarHBondContact O-ND2 3.26Å; H456-N623 WeakPolarHBondContact O-CB 3.21Å; G457-N623 WeakPolarHBondContact CA-O 3.39Å; L458-N623 PolarHBondContact N-O 3.3Å; L459-N623 WeakPolarHBondContact CD1-OD1 3.4Å; F580-N623 PolarHBondContact O-ND2 2.82Å; L581-N623 WeakPolarHBondContact CA-OD1 3.18Å; L582-N623 PolarHBondContact N-OD1 2.84Å; L582-N623 PolarHBondContact O-N 3.07Å; N623-L625 VanDerWaalsContact C-N 3.34Å; N623-L630 HydrophobicContact CB-CD1 3.96Å |
| 624 | G | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 12.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | W396 Y398 I622 | W396-G624 PolarHBondContact NE1-O 3.14Å; Y398-G624 WeakPolarHBondContact CD1-O 3.48Å; I622-G624 PolarHBondContact O-N 3.02Å |
| 625 | L | 98.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 18.1 Ų | 18.1 | 5% | 0.052 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -122.8 | 151.5 | 176.2 | -65.5 | 171.7 | 0 | 0 | 0 | 111.5 | W396 N397 Y398 P400 I622 N623 N629 L630 H710 | W396-L625 HydrophobicContact CZ2-CD2 4.01Å; W396-L625 HydrophobicContact CZ2-CG 4.05Å; N397-L625 WeakPolarHBondContact O-CD2 3.09Å; Y398-L625 CarbonylContact O-C 3.55Å; Y398-L625 WeakPolarHBondContact O-CA 3.43Å; Y398-L625 WeakPolarHBondContact O-CD2 3.37Å; P400-L625 HydrophobicContact CG-CD2 4.23Å; I622-L625 PolarHBondContact N-O 2.79Å; I622-L625 PolarHBondContact O-N 3.19Å; N623-L625 VanDerWaalsContact C-N 3.34Å; L625-N629 HydrophobicContact CB-CB 4.47Å; L625-L630 HydrophobicContact CB-CB 4.33Å; L625-L630 HydrophobicContact CD1-CB 4.36Å; L625-L630 HydrophobicContact CD1-CD1 3.83Å; L625-H710 VanDerWaalsContact C-CE1 3.46Å; L625-H710 PolarHBondContact O-CE1 2.68Å; L625-H710 VanDerWaalsContact O-CE1 3.26Å; L625-H710 PolarHBondContact O-NE2 2.69Å |
| 626 | M | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -128.2 | 162.6 | -173.3 | -58.5 | 171.2 | 71.8 | 0 | 0 | 112.3 | Y398 F421 F422 M619 H620 A621 G628 N629 A706 | Y398-M626 HydrophobicContact CD1-CG 4.3Å; Y398-M626 HydrophobicContact CD1-SD 4.05Å; Y398-M626 HydrophobicContact CG-SD 4.24Å; Y398-M626 PolarHBondContact O-N 3.38Å; F421-M626 HydrophobicContact CG-CE 4.45Å; F422-M626 HydrophobicContact CE2-CB 4.48Å; F422-M626 HydrophobicContact CE2-CE 4.03Å; F422-M626 HydrophobicContact CE2-SD 3.96Å; F422-M626 HydrophobicContact CZ-CB 4.2Å; F422-M626 HydrophobicContact CZ-CE 4.47Å; F422-M626 HydrophobicContact CZ-SD 3.81Å; M619-M626 HydrophobicContact CB-SD 4.05Å; M619-M626 HydrophobicContact CE-CE 4.49Å; M619-M626 HydrophobicContact CE-SD 3.55Å; M619-M626 VanDerWaalsContact CE-SD 3.55Å; M619-M626 HydrophobicContact SD-SD 4.35Å; H620-M626 HydrophobicContact CB-CE 4.24Å; H620-M626 WeakPolarHBondContact O-CG 3.45Å; A621-M626 HydrophobicContact CB-CG 3.95Å; M626-G628 VanDerWaalsContact C-N 3.34Å; M626-G628 PolarHBondContact O-N 3.1Å; M626-N629 VanDerWaalsContact O-CB 3.29Å; M626-N629 WeakPolarHBondContact O-CB 3.35Å; M626-N629 PolarHBondContact O-N 2.99Å; M626-N629 VanDerWaalsContact O-N 3.08Å; M626-N629 PolarHBondContact O-ND2 2.83Å; M626-A706 WeakPolarHBondContact CE-O 3.17Å | ||
| 627 | Y | 97.5 | Very high | 96.8 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 2% | 0.024 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 42.4 | 168.5 | -65.1 | -72.3 | 0 | 0 | 0 | 115.6 | N404 L405 L411 S418 F422 N629 S705 A706 G707 | N404-Y627 HydrophobicContact CB-CD1 4.4Å; N404-Y627 WeakPolarHBondContact ND2-CD1 3.3Å; L405-Y627 PolarHBondContact N-O 3.02Å; L411-Y627 HydrophobicContact CD2-CD1 4.45Å; L411-Y627 HydrophobicContact CD2-CD2 3.55Å; L411-Y627 HydrophobicContact CD2-CE2 4.14Å; L411-Y627 HydrophobicContact CD2-CG 3.73Å; S418-Y627 VanDerWaalsContact CA-OH 3.26Å; S418-Y627 WeakPolarHBondContact CA-OH 3.2Å; S418-Y627 PolarHBondContact N-OH 2.95Å; F422-Y627 HydrophobicContact CD2-CD2 4.43Å; F422-Y627 HydrophobicContact CD2-CE2 4.19Å; F422-Y627 AromaticContact CE2-CD2 3.72Å; F422-Y627 HydrophobicContact CE2-CD2 3.72Å; F422-Y627 AromaticContact CE2-CE2 3.7Å; F422-Y627 HydrophobicContact CE2-CE2 3.7Å; F422-Y627 HydrophobicContact CZ-CD2 4.42Å; Y627-N629 PolarHBondContact O-ND2 2.91Å; Y627-S705 WeakPolarHBondContact CE1-O 3.43Å; Y627-S705 PolarHBondContact OH-O 2.78Å; Y627-A706 WeakPolarHBondContact CE2-O 3.46Å; Y627-A706 WeakPolarHBondContact OH-CA 3.47Å; Y627-A706 PolarHBondContact OH-O 3.27Å; Y627-A706 VanDerWaalsContact OH-O 3.04Å; Y627-G707 VanDerWaalsContact CZ-CA 3.48Å; Y627-G707 PolarHBondContact N-O 3.29Å |
| 628 | G | 97.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 8% | 0.082 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 3.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | M626 L630 R709 H710 | M626-G628 VanDerWaalsContact C-N 3.34Å; M626-G628 PolarHBondContact O-N 3.1Å; G628-L630 VanDerWaalsContact C-N 3.33Å; G628-L630 PolarHBondContact O-N 3.5Å; G628-R709 PolarHBondContact N-O 3.04Å; G628-H710 VanDerWaalsContact C-ND1 3.26Å; G628-H710 VanDerWaalsContact CA-ND1 3.27Å; G628-H710 WeakPolarHBondContact CA-ND1 3.44Å; G628-H710 PolarHBondContact N-ND1 2.95Å |
| 629 | N | 97.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 14.3 Ų | 14.3 | 9% | 0.091 | 9% | 0.093 | C | C | . | . | trans | -78.3 | -6.3 | -174.2 | -74.9 | -94.3 | 0 | 0 | 0 | 115.1 | A399 S401 K403 L625 M626 Y627 P631 H710 | A399-N629 WeakPolarHBondContact CB-ND2 3.1Å; S401-N629 WeakPolarHBondContact CB-OD1 3.08Å; S401-N629 PolarHBondContact N-OD1 2.89Å; S401-N629 PolarHBondContact OG-OD1 3.37Å; K403-N629 PolarHBondContact O-ND2 2.85Å; K403-N629 VanDerWaalsContact O-ND2 3.12Å; L625-N629 HydrophobicContact CB-CB 4.47Å; M626-N629 VanDerWaalsContact O-CB 3.29Å; M626-N629 WeakPolarHBondContact O-CB 3.35Å; M626-N629 PolarHBondContact O-N 2.99Å; M626-N629 VanDerWaalsContact O-N 3.08Å; M626-N629 PolarHBondContact O-ND2 2.83Å; Y627-N629 PolarHBondContact O-ND2 2.91Å; N629-P631 VanDerWaalsContact O-CD 3.25Å; N629-P631 WeakPolarHBondContact O-CD 3.4Å; N629-H710 PolarHBondContact N-ND1 3.09Å | ||
| 630 | L | 97.6 | Very high | 96 | Very high | 7 Ų | 7 | 16.6 Ų | 16.6 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | trans | -74.8 | 113.9 | -179.4 | -175.7 | 62.3 | 0 | 0 | 0 | 112.2 | H455 L581 I622 N623 L625 G628 L633 H710 | H455-L630 WeakPolarHBondContact O-CD1 3.41Å; L581-L630 HydrophobicContact CD2-CD2 3.93Å; I622-L630 HydrophobicContact CG2-CD2 4.05Å; N623-L630 HydrophobicContact CB-CD1 3.96Å; L625-L630 HydrophobicContact CB-CB 4.33Å; L625-L630 HydrophobicContact CD1-CB 4.36Å; L625-L630 HydrophobicContact CD1-CD1 3.83Å; G628-L630 VanDerWaalsContact C-N 3.33Å; G628-L630 PolarHBondContact O-N 3.5Å; L630-L633 HydrophobicContact CD2-CD1 3.94Å; L630-L633 HydrophobicContact CD2-CG 4.41Å; L630-L633 HydrophobicContact CG-CD1 4.43Å; L630-H710 HydrophobicContact CB-CB 4.09Å; L630-H710 VanDerWaalsContact CB-CE1 3.47Å; L630-H710 WeakPolarHBondContact CB-CE1 3.2Å; L630-H710 VanDerWaalsContact CB-ND1 3.28Å; L630-H710 WeakPolarHBondContact CB-ND1 3.5Å; L630-H710 PolarHBondContact N-CE1 3.24Å; L630-H710 VanDerWaalsContact N-CE1 3.34Å; L630-H710 PolarHBondContact N-ND1 2.9Å | ||
| 631 | P | 95.9 | Very high | 95.9 | Very high | 65 Ų | 65 | 16.2 Ų | 16.2 | 42% | 0.422 | 10% | 0.103 | S | C | . | . | trans | -90 | 159.4 | -177 | 35.7 | -33.9 | 0 | 0 | 0 | 112.7 | S454 H455 N629 | S454-P631 CarbonylContact C-O 3.39Å; S454-P631 PolarHBondContact OG-O 2.78Å; H455-P631 WeakPolarHBondContact CA-O 3.36Å; H455-P631 WeakPolarHBondContact CB-O 3.46Å; H455-P631 PolarHBondContact N-O 3.49Å; N629-P631 VanDerWaalsContact O-CD 3.25Å; N629-P631 WeakPolarHBondContact O-CD 3.4Å | ||
| 632 | G | 94.5 | Very high | 95.9 | Very high | 33 Ų | 33 | 16.5 Ų | 16.5 | 34% | 0.34 | 11% | 0.105 | S | C | . | . | trans | 89.1 | 7.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S454 E634 | S454-G632 WeakPolarHBondContact OG-CA 3.46Å; G632-E634 PolarHBondContact O-N 2.65Å | ||
| 633 | L | 96.9 | Very high | 95.9 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | trans | -77.8 | 65.5 | 168.7 | -59 | -174.5 | 0 | 0 | 0 | 110.9 | H455 F579 L581 L630 W643 V696 Y712 K713 | H455-L633 HydrophobicContact CB-CD2 3.77Å; F579-L633 HydrophobicContact CD1-CD2 3.67Å; F579-L633 HydrophobicContact CE1-CD2 4.1Å; F579-L633 HydrophobicContact CG-CD2 4.22Å; L581-L633 HydrophobicContact CD2-CD1 4.42Å; L581-L633 HydrophobicContact CD2-CD2 4.18Å; L630-L633 HydrophobicContact CD2-CD1 3.94Å; L630-L633 HydrophobicContact CD2-CG 4.41Å; L630-L633 HydrophobicContact CG-CD1 4.43Å; L633-W643 HydrophobicContact CD1-CZ3 4.49Å; L633-W643 HydrophobicContact CD2-CH2 4.33Å; L633-W643 HydrophobicContact CD2-CZ3 3.97Å; L633-V696 HydrophobicContact CD1-CG1 4.14Å; L633-Y712 WeakPolarHBondContact O-CA 3.41Å; L633-K713 PolarHBondContact O-N 3.09Å | ||
| 634 | E | 96.1 | Very high | 95.9 | Very high | 83 Ų | 83 | 16.5 Ų | 16.5 | 39% | 0.388 | 11% | 0.105 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.8 | -179 | -57 | -165.6 | 134.5 | 0 | 0 | 112.3 | G632 K713 K715 | G632-E634 PolarHBondContact O-N 2.65Å; E634-K713 WeakPolarHBondContact CA-O 3.29Å; E634-K713 HydrophobicContact CG-CB 4.3Å; E634-K715 VanDerWaalsContact OE1-CE 3.23Å; E634-K715 WeakPolarHBondContact OE1-CE 3.39Å; E634-K715 IonicContact OE1-NZ 3.54Å; E634-K715 PolarHBondContact OE1-NZ 3.18Å; E634-K715 IonicContact OE2-NZ 3.46Å; E634-K715 PolarHBondContact OE2-NZ 3.32Å |
| 635 | M | 95.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.02 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 169.5 | 179.3 | 64.3 | -157.9 | 74.1 | 0 | 0 | 111.7 | K577 F579 V641 W643 P688 Y712 K713 V714 K715 | K577-M635 HydrophobicContact CG-CB 4.38Å; F579-M635 HydrophobicContact CD2-CE 4.03Å; F579-M635 HydrophobicContact CE2-CB 4.47Å; F579-M635 HydrophobicContact CE2-CE 3.27Å; F579-M635 HydrophobicContact CE2-SD 4.35Å; F579-M635 HydrophobicContact CZ-CE 3.83Å; M635-V641 HydrophobicContact CB-CG2 4.32Å; M635-V641 HydrophobicContact CE-CG1 4.43Å; M635-V641 HydrophobicContact SD-CB 4.47Å; M635-V641 HydrophobicContact SD-CG1 4.18Å; M635-V641 HydrophobicContact SD-CG2 3.81Å; M635-W643 HydrophobicContact CE-CH2 3.74Å; M635-W643 HydrophobicContact CE-CZ2 3.27Å; M635-W643 HydrophobicContact SD-CZ2 4.28Å; M635-P688 HydrophobicContact CG-CG 4.06Å; M635-P688 HydrophobicContact SD-CB 4.44Å; M635-P688 HydrophobicContact SD-CG 3.76Å; M635-Y712 HydrophobicContact CE-CD2 4.04Å; M635-K713 PolarHBondContact N-O 3.39Å; M635-V714 HydrophobicContact CG-CG2 4.01Å; M635-V714 WeakPolarHBondContact O-CA 3.48Å; M635-V714 HydrophobicContact SD-CG2 4.3Å; M635-K715 PolarHBondContact O-N 2.97Å |
| 636 | C | 93.8 | Very high | 95.9 | Very high | 30 Ų | 30 | 16 Ų | 16 | 20% | 0.203 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 147.4 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 111.2 | G638 D639 K715 C717 | C636-G638 PolarHBondContact O-N 2.88Å; C636-D639 WeakPolarHBondContact CB-OD1 3.35Å; C636-D639 WeakPolarHBondContact CB-OD2 3.41Å; C636-D639 PolarHBondContact N-OD2 3.3Å; C636-D639 VanDerWaalsContact O-CB 3.3Å; C636-D639 WeakPolarHBondContact O-CB 3.36Å; C636-D639 VanDerWaalsContact O-CG 3.3Å; C636-D639 PolarHBondContact O-N 3.26Å; C636-D639 VanDerWaalsContact O-N 3.1Å; C636-K715 CarbonylContact C-O 3.51Å; C636-K715 WeakPolarHBondContact CA-O 3.36Å; C636-C717 HydrophobicContact CB-CB 3.53Å; C636-C717 WeakPolarHBondContact CB-SG 3.09Å; C636-C717 WeakPolarHBondContact SG-CB 3.3Å; C636-C717 CovalentContact SG-SG 2.02Å; C636-C717 PolarHBondContact SG-SG 3.15Å |
| 637 | A | 90.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.033 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 130 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P688 V714 K715 T722 | A637-P688 CarbonylContact C-O 3.56Å; A637-P688 VanDerWaalsContact CA-O 3.31Å; A637-P688 WeakPolarHBondContact CA-O 3.23Å; A637-V714 HydrophobicContact CB-CG1 3.96Å; A637-K715 PolarHBondContact N-O 3.05Å; A637-T722 HydrophobicContact CB-CG2 3.88Å |
| 638 | G | 89.1 | Confident | 95.8 | Very high | 17 Ų | 17 | 16 Ų | 16 | 18% | 0.175 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | 6.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C636 P688 | C636-G638 PolarHBondContact O-N 2.88Å; G638-P688 PolarHBondContact N-O 2.99Å |
| 639 | D | 93.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 3% | 0.032 | 10% | 0.099 | C | C | . | . | trans | -65.2 | 146.3 | 169.8 | -77.9 | -7.5 | 0 | 0 | 0 | 111.1 | D576 C636 V641 Q687 P688 K720 | D576-D639 HydrophobicContact CB-CB 3.99Å; D576-D639 WeakPolarHBondContact OD2-CA 3.39Å; C636-D639 WeakPolarHBondContact CB-OD1 3.35Å; C636-D639 WeakPolarHBondContact CB-OD2 3.41Å; C636-D639 PolarHBondContact N-OD2 3.3Å; C636-D639 VanDerWaalsContact O-CB 3.3Å; C636-D639 WeakPolarHBondContact O-CB 3.36Å; C636-D639 VanDerWaalsContact O-CG 3.3Å; C636-D639 PolarHBondContact O-N 3.26Å; C636-D639 VanDerWaalsContact O-N 3.1Å; D639-V641 HydrophobicContact CB-CG2 3.68Å; D639-Q687 WeakPolarHBondContact O-CA 3.43Å; D639-P688 WeakPolarHBondContact O-CD 2.9Å; D639-K720 WeakPolarHBondContact OD1-CD 3.48Å; D639-K720 WeakPolarHBondContact OD1-CE 3.37Å; D639-K720 IonicContact OD1-NZ 3.99Å; D639-K720 PolarHBondContact OD1-NZ 2.86Å | ||
| 640 | N | 94.7 | Very high | 95.6 | Very high | 47 Ų | 47 | 16.1 Ų | 16.1 | 25% | 0.251 | 10% | 0.102 | S | C | . | . | trans | -84 | 109.4 | 162 | -69.6 | -21 | 0 | 0 | 0 | 108.2 | G574 I575 D576 K577 F685 Q687 | G574-N640 WeakPolarHBondContact O-CB 3.26Å; G574-N640 PolarHBondContact O-ND2 2.64Å; I575-N640 HydrophobicContact CD1-CB 4.3Å; D576-N640 PolarHBondContact N-O 3.33Å; D576-N640 PolarHBondContact OD2-N 2.83Å; K577-N640 PolarHBondContact N-O 2.82Å; N640-F685 HydrophobicContact CB-CE2 3.97Å; N640-F685 HydrophobicContact CB-CZ 4.34Å; N640-Q687 PolarHBondContact OD1-NE2 3.03Å | ||
| 641 | V | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.9 | -172.7 | -174 | 0 | 0 | 0 | 0 | 109.9 | K577 F579 M635 D639 M686 P688 | K577-V641 HydrophobicContact CB-CG1 4.19Å; K577-V641 HydrophobicContact CB-CG2 4.25Å; K577-V641 WeakPolarHBondContact O-CA 3.4Å; F579-V641 HydrophobicContact CD2-CG1 3.6Å; F579-V641 HydrophobicContact CE2-CG1 3.66Å; M635-V641 HydrophobicContact CB-CG2 4.32Å; M635-V641 HydrophobicContact CE-CG1 4.43Å; M635-V641 HydrophobicContact SD-CB 4.47Å; M635-V641 HydrophobicContact SD-CG1 4.18Å; M635-V641 HydrophobicContact SD-CG2 3.81Å; D639-V641 HydrophobicContact CB-CG2 3.68Å; V641-M686 HydrophobicContact CB-CB 4.46Å; V641-M686 WeakPolarHBondContact CB-O 3.24Å; V641-M686 PolarHBondContact N-O 3.1Å; V641-M686 PolarHBondContact O-N 2.98Å; V641-P688 HydrophobicContact CG2-CG 4.27Å |
| 642 | M | 97.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.025 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.5 | 168.1 | -70.4 | -59.7 | -59.4 | 0 | 0 | 109.7 | I575 K577 E578 F579 Y644 A683 L684 F685 | I575-M642 HydrophobicContact CB-CG 4.41Å; I575-M642 HydrophobicContact CD1-CG 3.61Å; I575-M642 HydrophobicContact CD1-SD 4.14Å; I575-M642 HydrophobicContact CG1-CG 3.7Å; I575-M642 HydrophobicContact CG2-CB 4.13Å; I575-M642 HydrophobicContact CG2-CG 3.81Å; K577-M642 PolarHBondContact O-N 2.93Å; E578-M642 CarbonylContact C-O 3.52Å; E578-M642 WeakPolarHBondContact CA-O 3.44Å; E578-M642 HydrophobicContact CG-CB 4.43Å; F579-M642 PolarHBondContact N-O 2.81Å; M642-Y644 HydrophobicContact CB-CE2 3.97Å; M642-Y644 HydrophobicContact CE-CE1 4.05Å; M642-A683 HydrophobicContact CE-CB 3.99Å; M642-L684 WeakPolarHBondContact CA-O 3.36Å; M642-F685 HydrophobicContact SD-CB 3.85Å; M642-F685 HydrophobicContact SD-CD2 3.73Å; M642-F685 HydrophobicContact SD-CG 4.3Å |
| 643 | W | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.4 | 167.5 | -59.7 | 88.8 | 0 | 0 | 0 | 108.5 | F579 L581 L633 M635 F659 L684 Y712 | F579-W643 HydrophobicContact CB-CD2 3.99Å; F579-W643 HydrophobicContact CB-CE3 3.33Å; F579-W643 HydrophobicContact CB-CH2 4.43Å; F579-W643 HydrophobicContact CB-CZ3 3.57Å; F579-W643 AromaticContact CD2-CD2 3.97Å; F579-W643 HydrophobicContact CD2-CD2 3.97Å; F579-W643 AromaticContact CD2-CE2 3.92Å; F579-W643 AromaticContact CD2-CE3 3.91Å; F579-W643 HydrophobicContact CD2-CE3 3.91Å; F579-W643 AromaticContact CD2-CH2 3.81Å; F579-W643 HydrophobicContact CD2-CH2 3.81Å; F579-W643 AromaticContact CD2-CZ2 3.9Å; F579-W643 HydrophobicContact CD2-CZ2 3.9Å; F579-W643 AromaticContact CD2-CZ3 3.8Å; F579-W643 HydrophobicContact CD2-CZ3 3.8Å; F579-W643 HydrophobicContact CE2-CH2 4.31Å; F579-W643 HydrophobicContact CE2-CZ2 4.3Å; F579-W643 HydrophobicContact CG-CD2 4.38Å; F579-W643 AromaticContact CG-CE3 3.89Å; F579-W643 HydrophobicContact CG-CE3 3.89Å; F579-W643 HydrophobicContact CG-CH2 4.13Å; F579-W643 AromaticContact CG-CZ3 3.72Å; F579-W643 HydrophobicContact CG-CZ3 3.72Å; L581-W643 HydrophobicContact CD1-CE3 3.69Å; L581-W643 HydrophobicContact CD1-CZ3 3.74Å; L581-W643 HydrophobicContact CG-CE3 4.16Å; L581-W643 HydrophobicContact CG-CZ3 4.27Å; L633-W643 HydrophobicContact CD1-CZ3 4.49Å; L633-W643 HydrophobicContact CD2-CH2 4.33Å; L633-W643 HydrophobicContact CD2-CZ3 3.97Å; M635-W643 HydrophobicContact CE-CH2 3.74Å; M635-W643 HydrophobicContact CE-CZ2 3.27Å; M635-W643 HydrophobicContact SD-CZ2 4.28Å; W643-F659 HydrophobicContact CB-CZ 4.33Å; W643-F659 AromaticContact CD2-CE1 3.59Å; W643-F659 HydrophobicContact CD2-CE1 3.59Å; W643-F659 AromaticContact CD2-CZ 3.92Å; W643-F659 HydrophobicContact CD2-CZ 3.92Å; W643-F659 AromaticContact CE2-CE1 3.62Å; W643-F659 AromaticContact CE3-CE1 3.78Å; W643-F659 HydrophobicContact CE3-CE1 3.78Å; W643-F659 HydrophobicContact CE3-CZ 4.08Å; W643-F659 HydrophobicContact CG-CE1 4.09Å; W643-F659 HydrophobicContact CG-CZ 4.06Å; W643-F659 HydrophobicContact CH2-CE1 4.03Å; W643-F659 HydrophobicContact CZ2-CD1 4.31Å; W643-F659 AromaticContact CZ2-CE1 3.81Å; W643-F659 HydrophobicContact CZ2-CE1 3.81Å; W643-F659 HydrophobicContact CZ3-CE1 4.02Å; W643-L684 HydrophobicContact CB-CB 4.16Å; W643-L684 HydrophobicContact CB-CD1 4.27Å; W643-L684 HydrophobicContact CB-CG 4.44Å; W643-L684 PolarHBondContact N-O 2.8Å; W643-L684 PolarHBondContact O-N 3.3Å; W643-Y712 HydrophobicContact CH2-CG 4.42Å; W643-Y712 HydrophobicContact CZ2-CD2 4.43Å |
| 644 | Y | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 114.4 | 171.5 | -59.6 | -69.6 | 0 | 0 | 0 | 107.5 | P537 L559 Q572 E578 F579 F580 L581 M642 F646 A682 A683 | P537-Y644 HydrophobicContact CB-CD1 3.82Å; P537-Y644 HydrophobicContact CB-CG 4.3Å; P537-Y644 HydrophobicContact CG-CD1 3.84Å; L559-Y644 HydrophobicContact CD1-CD1 4Å; L559-Y644 HydrophobicContact CD1-CE1 3.54Å; L559-Y644 HydrophobicContact CD1-CE2 4.1Å; L559-Y644 HydrophobicContact CD1-CG 4.46Å; L559-Y644 HydrophobicContact CD2-CE2 4.43Å; Q572-Y644 PolarHBondContact OE1-OH 2.92Å; Q572-Y644 VanDerWaalsContact OE1-OH 3.05Å; E578-Y644 HydrophobicContact CB-CE2 4.24Å; E578-Y644 HydrophobicContact CG-CE2 4.22Å; F579-Y644 PolarHBondContact O-N 3.03Å; F580-Y644 CarbonylContact C-O 3.49Å; F580-Y644 VanDerWaalsContact CA-O 3.31Å; F580-Y644 WeakPolarHBondContact CA-O 3.38Å; F580-Y644 AromaticContact CD1-CD2 3.88Å; F580-Y644 HydrophobicContact CD1-CD2 3.88Å; F580-Y644 HydrophobicContact CD1-CG 4.18Å; F580-Y644 AromaticContact CE1-CD2 3.34Å; F580-Y644 HydrophobicContact CE1-CD2 3.34Å; F580-Y644 HydrophobicContact CE1-CE2 4.05Å; F580-Y644 AromaticContact CE1-CG 3.9Å; F580-Y644 HydrophobicContact CE1-CG 3.9Å; F580-Y644 HydrophobicContact CE2-CD2 4.31Å; F580-Y644 AromaticContact CZ-CD2 3.58Å; F580-Y644 HydrophobicContact CZ-CD2 3.58Å; F580-Y644 AromaticContact CZ-CE2 3.95Å; F580-Y644 HydrophobicContact CZ-CE2 3.95Å; L581-Y644 PolarHBondContact N-O 3.5Å; M642-Y644 HydrophobicContact CB-CE2 3.97Å; M642-Y644 HydrophobicContact CE-CE1 4.05Å; Y644-F646 WeakPolarHBondContact O-CE2 3.29Å; Y644-A682 WeakPolarHBondContact CA-O 3.48Å; Y644-A683 HydrophobicContact CD1-CB 4.01Å; Y644-A683 HydrophobicContact CE1-CB 3.97Å |
| 645 | T | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 147.4 | -176.5 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | L581 T681 A682 L684 | L581-T645 HydrophobicContact CB-CG2 4.33Å; L581-T645 CarbonylContact O-C 3.52Å; L581-T645 WeakPolarHBondContact O-CA 3.5Å; T645-T681 CarbonylContact O-C 3.58Å; T645-T681 VanDerWaalsContact O-CA 3.29Å; T645-T681 WeakPolarHBondContact O-CA 3.26Å; T645-A682 PolarHBondContact N-O 3.03Å; T645-A682 PolarHBondContact O-N 2.66Å; T645-L684 HydrophobicContact CG2-CD1 4Å |
| 646 | F | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 141.7 | -173.8 | -48.6 | -90.4 | 0 | 0 | 0 | 109.7 | P537 Y538 L539 P557 F580 L581 L582 F583 Y644 T680 T681 | P537-F646 HydrophobicContact CB-CE1 3.65Å; P537-F646 HydrophobicContact CB-CZ 3.88Å; Y538-F646 WeakPolarHBondContact O-CE1 3.41Å; L539-F646 HydrophobicContact CD1-CB 4.35Å; L539-F646 HydrophobicContact CD1-CD1 4.37Å; L539-F646 HydrophobicContact CD2-CB 4Å; L539-F646 HydrophobicContact CD2-CD1 3.31Å; L539-F646 HydrophobicContact CD2-CE1 3.86Å; L539-F646 HydrophobicContact CD2-CG 3.7Å; L539-F646 HydrophobicContact CG-CB 4.48Å; L539-F646 HydrophobicContact CG-CD1 3.68Å; L539-F646 HydrophobicContact CG-CE1 4.32Å; L539-F646 HydrophobicContact CG-CG 4.37Å; P557-F646 HydrophobicContact CB-CE1 4.3Å; P557-F646 HydrophobicContact CB-CE2 4.01Å; P557-F646 HydrophobicContact CB-CZ 3.61Å; F580-F646 HydrophobicContact CB-CE2 4.16Å; F580-F646 HydrophobicContact CD1-CE2 4.02Å; F580-F646 HydrophobicContact CD1-CZ 4.04Å; L581-F646 WeakPolarHBondContact O-CD2 3.45Å; L581-F646 PolarHBondContact O-N 3.47Å; L582-F646 HydrophobicContact CB-CB 4.41Å; L582-F646 HydrophobicContact CD1-CB 3.73Å; F583-F646 PolarHBondContact N-O 2.65Å; Y644-F646 WeakPolarHBondContact O-CE2 3.29Å; F646-T680 WeakPolarHBondContact CA-O 2.99Å; F646-T681 HydrophobicContact CD1-CG2 3.58Å; F646-T681 HydrophobicContact CE1-CG2 4.07Å |
| 647 | G | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 147.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111 | F583 F677 H679 T680 | F583-G647 WeakPolarHBondContact O-CA 3.14Å; G647-F677 CarbonylContact C-O 3.58Å; G647-F677 VanDerWaalsContact CA-O 3.32Å; G647-F677 WeakPolarHBondContact CA-O 3.4Å; G647-H679 WeakPolarHBondContact O-CA 3.41Å; G647-H679 PolarHBondContact O-N 3.36Å; G647-T680 PolarHBondContact N-O 2.81Å |
| 648 | L | 95.9 | Very high | 96 | Very high | 5 Ų | 5 | 9.3 Ų | 9.3 | 3% | 0.026 | 6% | 0.055 | C | C | . | . | trans | -158.5 | 138.1 | 179.9 | -174.3 | 67.8 | 0 | 0 | 0 | 110.5 | T550 V555 L582 F583 S584 D653 H679 | T550-L648 HydrophobicContact CG2-CD1 4.45Å; T550-L648 HydrophobicContact CG2-CD2 4.1Å; V555-L648 HydrophobicContact CB-CD2 4.26Å; V555-L648 HydrophobicContact CG1-CD2 4.34Å; V555-L648 HydrophobicContact CG2-CD2 4.13Å; L582-L648 HydrophobicContact CD1-CB 3.79Å; L582-L648 HydrophobicContact CD1-CD2 4.49Å; F583-L648 PolarHBondContact O-N 3.37Å; S584-L648 WeakPolarHBondContact CA-O 3.37Å; S584-L648 VanDerWaalsContact CB-O 3.25Å; S584-L648 WeakPolarHBondContact CB-O 3.4Å; S584-L648 PolarHBondContact OG-O 3.26Å; L648-D653 VanDerWaalsContact O-CG 3.24Å; L648-H679 WeakPolarHBondContact CD1-CD2 3.41Å; L648-H679 WeakPolarHBondContact CD1-NE2 3.26Å | ||
| 649 | G | 95.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.01 | 5% | 0.047 | C | C | . | . | S | Bend | trans | 137.3 | -131.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N355 D653 P678 | N355-G649 PolarHBondContact N-O 2.87Å; N355-G649 VanDerWaalsContact N-O 3.1Å; G649-D653 WeakPolarHBondContact CA-OD2 3.39Å; G649-P678 WeakPolarHBondContact O-CG 3.05Å |
| 650 | T | 95.1 | Very high | 96.3 | Very high | 27 Ų | 27 | 9.5 Ų | 9.5 | 17% | 0.166 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -106.6 | -169.1 | -173 | 88 | 0 | 0 | 0 | 0 | 111.5 | N355 A652 D653 P678 | N355-T650 HydrophobicContact CB-CG2 3.96Å; T650-A652 PolarHBondContact O-N 2.8Å; T650-A652 PolarHBondContact OG1-N 2.89Å; T650-D653 PolarHBondContact N-OD2 2.83Å; T650-D653 WeakPolarHBondContact O-CB 3.34Å; T650-D653 PolarHBondContact O-N 2.82Å; T650-D653 VanDerWaalsContact O-N 3.09Å; T650-P678 WeakPolarHBondContact O-CG 3.48Å |
| 651 | E | 91.3 | Very high | 96 | Very high | 60 Ų | 60 | 8.4 Ų | 8.4 | 28% | 0.28 | 5% | 0.051 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.4 | 170.5 | 74.8 | -76.4 | -162.1 | 0 | 0 | 113.2 | I308 V354 D356 D653 | I308-E651 HydrophobicContact CD1-CB 4.13Å; I308-E651 WeakPolarHBondContact CD1-O 3.22Å; V354-E651 HydrophobicContact CG1-CB 4.33Å; D356-E651 VanDerWaalsContact CG-OE2 3.28Å; E651-D653 PolarHBondContact O-N 2.64Å |
| 652 | A | 93.6 | Very high | 95.8 | Very high | 20 Ų | 20 | 8.9 Ų | 8.9 | 17% | 0.165 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -25.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T650 I654 H703 E994 | T650-A652 PolarHBondContact O-N 2.8Å; T650-A652 PolarHBondContact OG1-N 2.89Å; A652-I654 PolarHBondContact O-N 2.87Å; A652-H703 PolarHBondContact O-CE1 2.77Å; A652-H703 PolarHBondContact O-NE2 3.1Å; A652-E994 VanDerWaalsContact CB-OE2 3.3Å; A652-E994 WeakPolarHBondContact CB-OE2 3.42Å |
| 653 | D | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | trans | -77.9 | 54.3 | -173.9 | -75.8 | -82 | 0 | 0 | 0 | 114.5 | S584 V585 L648 G649 T650 E651 H655 F677 P678 | S584-D653 VanDerWaalsContact CA-OD1 3.29Å; S584-D653 WeakPolarHBondContact CA-OD1 3.32Å; V585-D653 PolarHBondContact N-OD1 3.39Å; L648-D653 VanDerWaalsContact O-CG 3.24Å; G649-D653 WeakPolarHBondContact CA-OD2 3.39Å; T650-D653 PolarHBondContact N-OD2 2.83Å; T650-D653 WeakPolarHBondContact O-CB 3.34Å; T650-D653 PolarHBondContact O-N 2.82Å; T650-D653 VanDerWaalsContact O-N 3.09Å; E651-D653 PolarHBondContact O-N 2.64Å; D653-H655 WeakPolarHBondContact CA-NE2 3.42Å; D653-H655 WeakPolarHBondContact CB-NE2 3.42Å; D653-H655 PolarHBondContact O-CD2 2.98Å; D653-H655 IonicContact OD1-CD2 2.77Å; D653-H655 IonicContact OD1-CE1 3.28Å; D653-H655 PolarHBondContact OD1-CE1 2.84Å; D653-H655 IonicContact OD1-NE2 2.8Å; D653-H655 PolarHBondContact OD1-NE2 3.27Å; D653-F677 WeakPolarHBondContact O-CA 3.26Å; D653-P678 HydrophobicContact CB-CG 4.1Å | ||
| 654 | I | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -91 | 108.8 | 165.7 | -54.1 | 176.4 | 0 | 0 | 0 | 109 | I308 A652 F677 T700 H703 E994 M997 F1023 | I308-I654 HydrophobicContact CD1-CD1 3.47Å; I308-I654 VanDerWaalsContact CD1-CD1 3.47Å; I308-I654 HydrophobicContact CD1-CG1 3.4Å; I308-I654 VanDerWaalsContact CD1-CG1 3.4Å; I308-I654 HydrophobicContact CG1-CD1 4.47Å; A652-I654 PolarHBondContact O-N 2.87Å; I654-F677 HydrophobicContact CG1-CD1 4.44Å; I654-F677 HydrophobicContact CG2-CE1 3.97Å; I654-T700 PolarHBondContact O-OG1 2.84Å; I654-H703 PolarHBondContact O-CE1 3.05Å; I654-H703 VanDerWaalsContact O-CE1 3.27Å; I654-H703 PolarHBondContact O-ND1 2.86Å; I654-E994 WeakPolarHBondContact CD1-O 3.28Å; I654-M997 HydrophobicContact CD1-CB 4.18Å; I654-M997 HydrophobicContact CD1-CE 3.46Å; I654-M997 VanDerWaalsContact CD1-CE 3.46Å; I654-M997 HydrophobicContact CD1-SD 4.43Å; I654-F1023 HydrophobicContact CG2-CB 4.14Å; I654-F1023 HydrophobicContact CG2-CD1 3.93Å; I654-F1023 HydrophobicContact CG2-CG 4.38Å | ||
| 655 | H | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 108.5 | -174 | -61.4 | -61.8 | 0 | 0 | 0 | 112.6 | F583 D653 V657 S675 L676 H703 M708 | F583-H655 HydrophobicContact CB-CB 4.19Å; D653-H655 WeakPolarHBondContact CA-NE2 3.42Å; D653-H655 WeakPolarHBondContact CB-NE2 3.42Å; D653-H655 PolarHBondContact O-CD2 2.98Å; D653-H655 IonicContact OD1-CD2 2.77Å; D653-H655 IonicContact OD1-CE1 3.28Å; D653-H655 PolarHBondContact OD1-CE1 2.84Å; D653-H655 IonicContact OD1-NE2 2.8Å; D653-H655 PolarHBondContact OD1-NE2 3.27Å; H655-V657 HydrophobicContact CB-CG2 4.15Å; H655-V657 PolarHBondContact O-N 2.98Å; H655-S675 CarbonylContact O-C 3.57Å; H655-S675 WeakPolarHBondContact O-CA 3.29Å; H655-L676 HydrophobicContact CB-CB 4.16Å; H655-L676 PolarHBondContact N-O 3.49Å; H655-L676 PolarHBondContact O-N 3.47Å; H655-H703 AromaticContact CE1-CE1 3.26Å; H655-H703 PolarHBondContact CE1-CE1 3.19Å; H655-H703 AromaticContact CE1-ND1 3.38Å; H655-H703 PolarHBondContact CE1-ND1 3.48Å; H655-H703 AromaticContact ND1-CE1 3.47Å; H655-H703 PolarHBondContact ND1-CE1 3.2Å; H655-H703 AromaticContact ND1-ND1 3.18Å; H655-H703 PolarHBondContact ND1-ND1 3.1Å; H655-H703 VanDerWaalsContact ND1-ND1 3.18Å; H655-M708 PolarHBondContact CE1-SD 3.23Å; H655-M708 PolarHBondContact ND1-SD 3.02Å |
| 656 | G | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 82 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y658 C698 R699 P1024 | G656-Y658 PolarHBondContact O-N 2.85Å; G656-Y658 VanDerWaalsContact O-N 3.14Å; G656-C698 CarbonylContact O-C 3.59Å; G656-C698 WeakPolarHBondContact O-CA 3.31Å; G656-R699 WeakPolarHBondContact O-CB 3.45Å; G656-R699 WeakPolarHBondContact O-CG 3.3Å; G656-R699 PolarHBondContact O-N 2.68Å; G656-P1024 VanDerWaalsContact CA-O 3.3Å; G656-P1024 WeakPolarHBondContact CA-O 3.4Å |
| 657 | V | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 103.9 | -174.1 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | F583 H655 F659 T673 V674 L676 V696 | F583-V657 HydrophobicContact CD1-CG2 3.71Å; F583-V657 HydrophobicContact CD2-CG2 3.78Å; F583-V657 HydrophobicContact CE1-CB 4.28Å; F583-V657 HydrophobicContact CE1-CG1 3.94Å; F583-V657 HydrophobicContact CE1-CG2 3.59Å; F583-V657 HydrophobicContact CE2-CB 4.35Å; F583-V657 HydrophobicContact CE2-CG1 3.71Å; F583-V657 HydrophobicContact CE2-CG2 3.67Å; F583-V657 HydrophobicContact CG-CG2 3.83Å; F583-V657 HydrophobicContact CZ-CB 4.06Å; F583-V657 HydrophobicContact CZ-CG1 3.31Å; F583-V657 HydrophobicContact CZ-CG2 3.6Å; H655-V657 HydrophobicContact CB-CG2 4.15Å; H655-V657 PolarHBondContact O-N 2.98Å; V657-F659 HydrophobicContact CG1-CD2 4.44Å; V657-F659 HydrophobicContact CG1-CE2 3.81Å; V657-F659 HydrophobicContact CG1-CZ 4.35Å; V657-T673 CarbonylContact O-C 3.58Å; V657-T673 WeakPolarHBondContact O-CA 3.22Å; V657-V674 HydrophobicContact CB-CG1 3.9Å; V657-V674 PolarHBondContact N-O 2.83Å; V657-V674 PolarHBondContact O-N 3.5Å; V657-L676 HydrophobicContact CG2-CD1 3.56Å; V657-L676 HydrophobicContact CG2-CG 4.2Å; V657-V696 HydrophobicContact CG1-CG2 4.13Å |
| 658 | Y | 97.5 | Very high | 94.4 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.9 | -178.6 | 168.4 | -106.8 | 0 | 0 | 0 | 112.5 | G656 E660 D672 T673 V696 D697 R699 H836 | G656-Y658 PolarHBondContact O-N 2.85Å; G656-Y658 VanDerWaalsContact O-N 3.14Å; Y658-E660 HydrophobicContact CD1-CB 4.37Å; Y658-E660 HydrophobicContact CE1-CB 3.56Å; Y658-E660 HydrophobicContact CE1-CG 3.84Å; Y658-E660 VanDerWaalsContact CZ-CA 3.5Å; Y658-D672 WeakPolarHBondContact CA-O 3.34Å; Y658-D672 HydrophobicContact CD2-CB 4.32Å; Y658-D672 HydrophobicContact CE2-CB 4.23Å; Y658-D672 WeakPolarHBondContact CE2-OD2 3.49Å; Y658-T673 WeakPolarHBondContact CD2-OG1 3.22Å; Y658-V696 WeakPolarHBondContact O-CA 3.49Å; Y658-D697 WeakPolarHBondContact CD1-OD2 3.38Å; Y658-D697 PolarHBondContact N-O 3.2Å; Y658-D697 PolarHBondContact O-N 3.48Å; Y658-D697 VanDerWaalsContact O-N 3.13Å; Y658-R699 HydrophobicContact CG-CG 4.48Å; Y658-H836 AromaticContact CD2-CD2 3.44Å; Y658-H836 VanDerWaalsContact CD2-CD2 3.44Å; Y658-H836 WeakPolarHBondContact CD2-CD2 3.4Å; Y658-H836 AromaticContact CD2-NE2 3.68Å; Y658-H836 AromaticContact CE2-CD2 3.21Å; Y658-H836 WeakPolarHBondContact CE2-CD2 3.43Å; Y658-H836 AromaticContact CE2-NE2 3.7Å; Y658-H836 AromaticContact CZ-CD2 3.99Å |
| 659 | F | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 106.3 | 173.6 | -70.6 | -98 | 0 | 0 | 0 | 110.7 | L581 W643 V657 G661 F664 D672 L684 M686 V696 Y712 | L581-F659 HydrophobicContact CD1-CZ 4.41Å; W643-F659 HydrophobicContact CB-CZ 4.33Å; W643-F659 AromaticContact CD2-CE1 3.59Å; W643-F659 HydrophobicContact CD2-CE1 3.59Å; W643-F659 AromaticContact CD2-CZ 3.92Å; W643-F659 HydrophobicContact CD2-CZ 3.92Å; W643-F659 AromaticContact CE2-CE1 3.62Å; W643-F659 AromaticContact CE3-CE1 3.78Å; W643-F659 HydrophobicContact CE3-CE1 3.78Å; W643-F659 HydrophobicContact CE3-CZ 4.08Å; W643-F659 HydrophobicContact CG-CE1 4.09Å; W643-F659 HydrophobicContact CG-CZ 4.06Å; W643-F659 HydrophobicContact CH2-CE1 4.03Å; W643-F659 HydrophobicContact CZ2-CD1 4.31Å; W643-F659 AromaticContact CZ2-CE1 3.81Å; W643-F659 HydrophobicContact CZ2-CE1 3.81Å; W643-F659 HydrophobicContact CZ3-CE1 4.02Å; V657-F659 HydrophobicContact CG1-CD2 4.44Å; V657-F659 HydrophobicContact CG1-CE2 3.81Å; V657-F659 HydrophobicContact CG1-CZ 4.35Å; F659-G661 PolarHBondContact O-N 3.22Å; F659-F664 AromaticContact CD2-CD1 3.83Å; F659-F664 HydrophobicContact CD2-CD1 3.83Å; F659-F664 AromaticContact CD2-CE1 3.61Å; F659-F664 HydrophobicContact CD2-CE1 3.61Å; F659-F664 HydrophobicContact CE2-CD1 4.33Å; F659-F664 HydrophobicContact CE2-CE1 4.09Å; F659-F664 HydrophobicContact CG-CD1 4.41Å; F659-D672 PolarHBondContact N-O 3.44Å; F659-L684 HydrophobicContact CE2-CD1 3.71Å; F659-L684 HydrophobicContact CZ-CD1 4.2Å; F659-M686 HydrophobicContact CB-CE 3.82Å; F659-M686 HydrophobicContact CD1-CE 3.68Å; F659-M686 HydrophobicContact CE1-CE 4.38Å; F659-M686 HydrophobicContact CG-CE 3.76Å; F659-V696 HydrophobicContact CD1-CB 4.28Å; F659-V696 HydrophobicContact CD1-CG2 4.04Å; F659-V696 HydrophobicContact CE1-CB 4.32Å; F659-V696 HydrophobicContact CE1-CG2 3.78Å; F659-V696 HydrophobicContact CE2-CG2 4.39Å; F659-V696 HydrophobicContact CG-CG2 4.45Å; F659-V696 HydrophobicContact CZ-CG2 3.99Å; F659-Y712 HydrophobicContact CD1-CE1 4.29Å |
| 660 | E | 92.8 | Very high | 94.3 | Very high | 27 Ų | 27 | 21.7 Ų | 21.7 | 13% | 0.126 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 131.2 | -175.8 | -164 | -163.3 | 168.9 | 0 | 0 | 112.7 | Y658 N662 F694 E695 Y712 H844 | Y658-E660 HydrophobicContact CD1-CB 4.37Å; Y658-E660 HydrophobicContact CE1-CB 3.56Å; Y658-E660 HydrophobicContact CE1-CG 3.84Å; Y658-E660 VanDerWaalsContact CZ-CA 3.5Å; E660-N662 PolarHBondContact O-N 2.88Å; E660-N662 VanDerWaalsContact O-N 3.09Å; E660-F694 HydrophobicContact CB-CB 4.36Å; E660-F694 WeakPolarHBondContact O-CB 3.28Å; E660-F694 VanDerWaalsContact O-CD1 3.24Å; E660-F694 WeakPolarHBondContact O-CD1 3.47Å; E660-F694 WeakPolarHBondContact O-CG 3.47Å; E660-E695 HydrophobicContact CB-CB 4.26Å; E660-E695 VanDerWaalsContact CB-O 3.27Å; E660-E695 WeakPolarHBondContact CB-O 3.27Å; E660-E695 PolarHBondContact N-O 3.48Å; E660-E695 PolarHBondContact OE2-N 3.28Å; E660-E695 VanDerWaalsContact OE2-N 3.14Å; E660-Y712 PolarHBondContact O-OH 2.94Å; E660-H844 IonicContact OE1-CD2 3.4Å; E660-H844 IonicContact OE1-CE1 3.71Å; E660-H844 IonicContact OE1-NE2 3.47Å; E660-H844 PolarHBondContact OE1-NE2 3.26Å; E660-H844 IonicContact OE2-NE2 3.12Å |
| 661 | G | 88.4 | Confident | 94.3 | Very high | 23 Ų | 23 | 22.1 Ų | 22.1 | 24% | 0.237 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | -2 | 169 | 0 | 0 | 0 | 0 | 0 | 116.1 | F659 N690 | F659-G661 PolarHBondContact O-N 3.22Å; G661-N690 PolarHBondContact O-ND2 2.96Å |
| 662 | N | 92.4 | Very high | 94.5 | Very high | 11 Ų | 11 | 19.5 Ų | 19.5 | 6% | 0.059 | 11% | 0.107 | C | C | . | . | trans | -137.3 | 140.7 | 174.6 | -65.8 | -84.1 | 0 | 0 | 0 | 110.7 | E660 M686 Y712 | E660-N662 PolarHBondContact O-N 2.88Å; E660-N662 VanDerWaalsContact O-N 3.09Å; N662-M686 HydrophobicContact CB-CE 4.13Å; N662-M686 HydrophobicContact CB-SD 3.96Å; N662-Y712 PolarHBondContact ND2-OH 2.99Å | ||
| 663 | T | 95.3 | Very high | 94.7 | Very high | 13 Ų | 13 | 19 Ų | 19 | 8% | 0.08 | 10% | 0.102 | C | C | . | . | trans | -97 | 160.6 | 172.7 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | T670 R671 D672 G837 S862 | T663-T670 HydrophobicContact CG2-CG2 4.27Å; T663-R671 CarbonylContact C-O 3.42Å; T663-R671 WeakPolarHBondContact CA-O 3.3Å; T663-R671 WeakPolarHBondContact CB-O 2.98Å; T663-D672 HydrophobicContact CG2-CB 4.29Å; T663-G837 WeakPolarHBondContact CG2-O 3.23Å; T663-S862 PolarHBondContact OG1-O 3.4Å | ||
| 664 | F | 96 | Very high | 94.7 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 1% | 0.013 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 170.6 | 172.6 | 57.8 | -101.1 | 0 | 0 | 0 | 110.9 | F659 K666 R671 D672 V674 L684 F685 M686 | F659-F664 AromaticContact CD2-CD1 3.83Å; F659-F664 HydrophobicContact CD2-CD1 3.83Å; F659-F664 AromaticContact CD2-CE1 3.61Å; F659-F664 HydrophobicContact CD2-CE1 3.61Å; F659-F664 HydrophobicContact CE2-CD1 4.33Å; F659-F664 HydrophobicContact CE2-CE1 4.09Å; F659-F664 HydrophobicContact CG-CD1 4.41Å; F664-K666 HydrophobicContact CD2-CB 4.37Å; F664-K666 HydrophobicContact CE2-CB 4.14Å; F664-R671 HydrophobicContact CD2-CB 4.46Å; F664-R671 HydrophobicContact CE2-CB 3.8Å; F664-R671 HydrophobicContact CZ-CB 4.09Å; F664-R671 PolarHBondContact N-O 2.99Å; F664-R671 PolarHBondContact O-N 2.76Å; F664-R671 VanDerWaalsContact O-O 3.05Å; F664-D672 WeakPolarHBondContact CE1-O 3.31Å; F664-V674 HydrophobicContact CE2-CB 4.41Å; F664-V674 HydrophobicContact CZ-CB 3.95Å; F664-V674 HydrophobicContact CZ-CG1 4.27Å; F664-L684 HydrophobicContact CB-CB 4.2Å; F664-L684 HydrophobicContact CD1-CD1 4.3Å; F664-L684 HydrophobicContact CD2-CB 3.82Å; F664-L684 HydrophobicContact CD2-CD1 4.32Å; F664-L684 HydrophobicContact CD2-CD2 3.98Å; F664-L684 HydrophobicContact CD2-CG 4.26Å; F664-L684 HydrophobicContact CE1-CD1 4.14Å; F664-L684 HydrophobicContact CE2-CB 4.37Å; F664-L684 HydrophobicContact CE2-CD1 4.18Å; F664-L684 HydrophobicContact CE2-CD2 3.72Å; F664-L684 HydrophobicContact CE2-CG 4.31Å; F664-L684 HydrophobicContact CG-CB 3.97Å; F664-L684 HydrophobicContact CG-CD1 4.39Å; F664-L684 HydrophobicContact CZ-CD1 4.08Å; F664-L684 HydrophobicContact CZ-CD2 4.3Å; F664-F685 CarbonylContact C-O 3.58Å; F664-F685 WeakPolarHBondContact CA-O 3.29Å; F664-F685 WeakPolarHBondContact CB-O 3.42Å; F664-M686 HydrophobicContact CB-CB 4.14Å; F664-M686 HydrophobicContact CB-CE 4.27Å; F664-M686 HydrophobicContact CD1-CE 4.3Å |
| 665 | K | 95.5 | Very high | 94.7 | Very high | 60 Ų | 60 | 20.3 Ų | 20.3 | 26% | 0.261 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 126.6 | 170.6 | -56.2 | -53.6 | -173.4 | -160.1 | 0 | 110.2 | T669 T670 F685 T866 | K665-T669 VanDerWaalsContact CA-O 3.22Å; K665-T669 WeakPolarHBondContact CA-O 3.46Å; K665-T669 WeakPolarHBondContact CD-O 3.25Å; K665-T670 PolarHBondContact NZ-OG1 2.79Å; K665-F685 HydrophobicContact CB-CB 4.46Å; K665-F685 HydrophobicContact CG-CD1 4.46Å; K665-F685 PolarHBondContact N-O 3.35Å; K665-F685 PolarHBondContact O-N 2.82Å; K665-T866 HydrophobicContact CD-CG2 3.79Å; K665-T866 VanDerWaalsContact CE-CG2 3.47Å; K665-T866 VanDerWaalsContact NZ-CG2 3.28Å |
| 666 | K | 92.9 | Very high | 94.7 | Very high | 66 Ų | 66 | 20.4 Ų | 20.4 | 29% | 0.287 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 124.5 | 168.2 | -177.3 | -174.4 | 178.3 | -171.6 | 0 | 107.2 | F664 S668 T669 V674 L684 | F664-K666 HydrophobicContact CD2-CB 4.37Å; F664-K666 HydrophobicContact CE2-CB 4.14Å; K666-S668 PolarHBondContact O-N 2.86Å; K666-T669 PolarHBondContact N-O 2.93Å; K666-T669 VanDerWaalsContact N-O 3.13Å; K666-T669 PolarHBondContact O-N 2.78Å; K666-T669 PolarHBondContact O-OG1 2.82Å; K666-V674 HydrophobicContact CD-CG2 3.92Å; K666-L684 HydrophobicContact CB-CD2 4.33Å; K666-L684 HydrophobicContact CD-CD2 4.45Å; K666-L684 HydrophobicContact CG-CD2 4.38Å |
| 667 | Q | 88.7 | Confident | 94.7 | Very high | 59 Ų | 59 | 21 Ų | 21 | 28% | 0.276 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 47.3 | -177.9 | -63.8 | 166.3 | -38.6 | 0 | 0 | 112.4 | H323 T669 D1012 | H323-Q667 PolarHBondContact CD2-NE2 3.16Å; H323-Q667 PolarHBondContact NE2-NE2 3.03Å; Q667-T669 PolarHBondContact O-N 2.76Å; Q667-D1012 HydrophobicContact CB-CB 4.17Å; Q667-D1012 VanDerWaalsContact O-CA 3.28Å; Q667-D1012 WeakPolarHBondContact O-CA 3.45Å; Q667-D1012 VanDerWaalsContact O-CB 3.32Å; Q667-D1012 WeakPolarHBondContact O-CB 3.4Å; Q667-D1012 PolarHBondContact O-N 2.76Å |
| 668 | S | 88.9 | Confident | 94.7 | Very high | 72 Ų | 72 | 21 Ų | 21 | 50% | 0.503 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 3.7 | -177.7 | -52.8 | 0 | 0 | 0 | 0 | 116.8 | K666 T866 | K666-S668 PolarHBondContact O-N 2.86Å; S668-T866 VanDerWaalsContact O-CB 3.25Å; S668-T866 WeakPolarHBondContact O-CB 3.38Å; S668-T866 WeakPolarHBondContact O-CG2 3.4Å; S668-T866 PolarHBondContact O-OG1 2.7Å |
| 669 | T | 93.3 | Very high | 94.6 | Very high | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 154.6 | 175.7 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | K665 K666 Q667 D869 M1011 | K665-T669 VanDerWaalsContact CA-O 3.22Å; K665-T669 WeakPolarHBondContact CA-O 3.46Å; K665-T669 WeakPolarHBondContact CD-O 3.25Å; K666-T669 PolarHBondContact N-O 2.93Å; K666-T669 VanDerWaalsContact N-O 3.13Å; K666-T669 PolarHBondContact O-N 2.78Å; K666-T669 PolarHBondContact O-OG1 2.82Å; Q667-T669 PolarHBondContact O-N 2.76Å; T669-D869 WeakPolarHBondContact CA-OD2 3.33Å; T669-D869 VanDerWaalsContact CB-OD1 3.29Å; T669-D869 WeakPolarHBondContact CB-OD1 3.45Å; T669-M1011 WeakPolarHBondContact CG2-O 3.42Å |
| 670 | T | 95.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 124.1 | 175.9 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | T663 K665 S862 G864 T866 D869 I873 Y875 | T663-T670 HydrophobicContact CG2-CG2 4.27Å; K665-T670 PolarHBondContact NZ-OG1 2.79Å; T670-S862 WeakPolarHBondContact CG2-O 3.49Å; T670-G864 WeakPolarHBondContact CB-O 3.25Å; T670-G864 PolarHBondContact OG1-O 3.08Å; T670-T866 VanDerWaalsContact OG1-CG2 3.3Å; T670-T866 WeakPolarHBondContact OG1-CG2 3.49Å; T670-D869 PolarHBondContact N-OD2 2.89Å; T670-I873 HydrophobicContact CG2-CD1 4.18Å; T670-Y875 VanDerWaalsContact CG2-OH 3.28Å; T670-Y875 WeakPolarHBondContact CG2-OH 3.42Å |
| 671 | R | 95.5 | Very high | 94.7 | Very high | 37 Ų | 37 | 22.9 Ų | 22.9 | 14% | 0.14 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 167.8 | 171.5 | -60.8 | -65.8 | -179.3 | -81.9 | -2.5 | 110 | T663 F664 D869 | T663-R671 CarbonylContact C-O 3.42Å; T663-R671 WeakPolarHBondContact CA-O 3.3Å; T663-R671 WeakPolarHBondContact CB-O 2.98Å; F664-R671 HydrophobicContact CD2-CB 4.46Å; F664-R671 HydrophobicContact CE2-CB 3.8Å; F664-R671 HydrophobicContact CZ-CB 4.09Å; F664-R671 PolarHBondContact N-O 2.99Å; F664-R671 PolarHBondContact O-N 2.76Å; F664-R671 VanDerWaalsContact O-O 3.05Å; R671-D869 IonicContact CZ-OD1 2.66Å; R671-D869 IonicContact NH1-OD1 2.89Å; R671-D869 PolarHBondContact NH1-OD1 2.92Å |
| 672 | D | 95.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -126.4 | -9.4 | 169.5 | 62.8 | -8 | 0 | 0 | 0 | 113.2 | Y658 F659 T663 F664 H836 G837 | Y658-D672 WeakPolarHBondContact CA-O 3.34Å; Y658-D672 HydrophobicContact CD2-CB 4.32Å; Y658-D672 HydrophobicContact CE2-CB 4.23Å; Y658-D672 WeakPolarHBondContact CE2-OD2 3.49Å; F659-D672 PolarHBondContact N-O 3.44Å; T663-D672 HydrophobicContact CG2-CB 4.29Å; F664-D672 WeakPolarHBondContact CE1-O 3.31Å; D672-H836 IonicContact OD1-CD2 2.69Å; D672-H836 WeakPolarHBondContact OD2-CB 3.1Å; D672-H836 IonicContact OD2-CD2 3.56Å; D672-H836 PolarHBondContact OD2-CD2 3.03Å; D672-H836 IonicContact OD2-CG 2.61Å; D672-G837 WeakPolarHBondContact OD2-CA 3.46Å; D672-G837 PolarHBondContact OD2-N 3.49Å |
| 673 | T | 97.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 22.7 Ų | 22.7 | 7% | 0.067 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.8 | 176.8 | -48.4 | 0 | 0 | 0 | 0 | 110 | V657 Y658 R699 G1025 | V657-T673 CarbonylContact O-C 3.58Å; V657-T673 WeakPolarHBondContact O-CA 3.22Å; Y658-T673 WeakPolarHBondContact CD2-OG1 3.22Å; T673-R699 HydrophobicContact CG2-CG 4.41Å; T673-G1025 WeakPolarHBondContact CB-O 3.39Å |
| 674 | V | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 22.1 Ų | 22.1 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 131.8 | 173.3 | 62.8 | 0 | 0 | 0 | 0 | 110.6 | V657 F664 K666 A682 L684 | V657-V674 HydrophobicContact CB-CG1 3.9Å; V657-V674 PolarHBondContact N-O 2.83Å; V657-V674 PolarHBondContact O-N 3.5Å; F664-V674 HydrophobicContact CE2-CB 4.41Å; F664-V674 HydrophobicContact CZ-CB 3.95Å; F664-V674 HydrophobicContact CZ-CG1 4.27Å; K666-V674 HydrophobicContact CD-CG2 3.92Å; V674-A682 HydrophobicContact CG2-CB 4Å; V674-L684 HydrophobicContact CB-CD2 4.23Å; V674-L684 HydrophobicContact CG1-CD1 3.74Å; V674-L684 HydrophobicContact CG1-CD2 4.13Å; V674-L684 HydrophobicContact CG2-CD2 4.21Å |
| 675 | S | 97.2 | Very high | 95.4 | Very high | 25 Ų | 25 | 25.3 Ų | 25.3 | 18% | 0.175 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 135.2 | 174.8 | -37.2 | 0 | 0 | 0 | 0 | 110.9 | H655 T1026 | H655-S675 CarbonylContact O-C 3.57Å; H655-S675 WeakPolarHBondContact O-CA 3.29Å; S675-T1026 PolarHBondContact OG-OG1 2.64Å; S675-T1026 VanDerWaalsContact OG-OG1 3.09Å |
| 676 | L | 97.3 | Very high | 95.4 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147 | 172.3 | -52.3 | 166.8 | 0 | 0 | 0 | 109.8 | F583 H655 V657 A682 | F583-L676 HydrophobicContact CD2-CD1 4.05Å; F583-L676 HydrophobicContact CG-CD1 4.49Å; H655-L676 HydrophobicContact CB-CB 4.16Å; H655-L676 PolarHBondContact N-O 3.49Å; H655-L676 PolarHBondContact O-N 3.47Å; V657-L676 HydrophobicContact CG2-CD1 3.56Å; V657-L676 HydrophobicContact CG2-CG 4.2Å; L676-A682 HydrophobicContact CD2-CB 4Å |
| 677 | F | 97.5 | Very high | 95.4 | Very high | 13 Ų | 13 | 23.6 Ų | 23.6 | 6% | 0.057 | 13% | 0.13 | C | C | . | . | trans | -132.9 | 171.2 | 180 | -44.9 | -78.4 | 0 | 0 | 0 | 109.7 | I308 F331 G647 D653 I654 H679 T680 F1023 | I308-F677 HydrophobicContact CG2-CB 4.35Å; I308-F677 HydrophobicContact CG2-CD1 4.33Å; F331-F677 AromaticContact CE1-CD1 3.69Å; F331-F677 HydrophobicContact CE1-CD1 3.69Å; F331-F677 AromaticContact CE1-CE1 3.53Å; F331-F677 HydrophobicContact CE1-CE1 3.53Å; F331-F677 HydrophobicContact CE1-CE2 4.48Å; F331-F677 HydrophobicContact CE1-CG 4.22Å; F331-F677 AromaticContact CE1-CZ 3.98Å; F331-F677 HydrophobicContact CE1-CZ 3.98Å; F331-F677 HydrophobicContact CE2-CE2 4.16Å; F331-F677 HydrophobicContact CE2-CZ 4.12Å; F331-F677 AromaticContact CZ-CD1 3.63Å; F331-F677 HydrophobicContact CZ-CD1 3.63Å; F331-F677 AromaticContact CZ-CD2 3.72Å; F331-F677 HydrophobicContact CZ-CD2 3.72Å; F331-F677 AromaticContact CZ-CE1 3.38Å; F331-F677 HydrophobicContact CZ-CE1 3.38Å; F331-F677 AromaticContact CZ-CE2 3.52Å; F331-F677 HydrophobicContact CZ-CE2 3.52Å; F331-F677 AromaticContact CZ-CG 3.78Å; F331-F677 HydrophobicContact CZ-CG 3.78Å; F331-F677 AromaticContact CZ-CZ 3.34Å; F331-F677 HydrophobicContact CZ-CZ 3.34Å; G647-F677 CarbonylContact C-O 3.58Å; G647-F677 VanDerWaalsContact CA-O 3.32Å; G647-F677 WeakPolarHBondContact CA-O 3.4Å; D653-F677 WeakPolarHBondContact O-CA 3.26Å; I654-F677 HydrophobicContact CG1-CD1 4.44Å; I654-F677 HydrophobicContact CG2-CE1 3.97Å; F677-H679 PolarHBondContact O-N 3.24Å; F677-T680 HydrophobicContact CB-CG2 3.83Å; F677-T680 HydrophobicContact CD2-CG2 4.14Å; F677-T680 PolarHBondContact N-OG1 2.8Å; F677-T680 WeakPolarHBondContact O-CB 3.33Å; F677-T680 PolarHBondContact O-N 3.48Å; F677-T680 PolarHBondContact O-OG1 2.94Å; F677-F1023 AromaticContact CE1-CD1 3.57Å; F677-F1023 HydrophobicContact CE1-CD1 3.57Å; F677-F1023 HydrophobicContact CE1-CD2 4.38Å; F677-F1023 AromaticContact CE1-CE1 3.47Å; F677-F1023 HydrophobicContact CE1-CE1 3.47Å; F677-F1023 VanDerWaalsContact CE1-CE1 3.47Å; F677-F1023 HydrophobicContact CE1-CE2 4.31Å; F677-F1023 HydrophobicContact CE1-CG 4.04Å; F677-F1023 AromaticContact CE1-CZ 3.87Å; F677-F1023 HydrophobicContact CE1-CZ 3.87Å; F677-F1023 HydrophobicContact CE2-CE2 4.34Å; F677-F1023 HydrophobicContact CE2-CZ 4.37Å; F677-F1023 AromaticContact CZ-CD1 3.73Å; F677-F1023 HydrophobicContact CZ-CD1 3.73Å; F677-F1023 AromaticContact CZ-CD2 3.69Å; F677-F1023 HydrophobicContact CZ-CD2 3.69Å; F677-F1023 AromaticContact CZ-CE1 3.53Å; F677-F1023 HydrophobicContact CZ-CE1 3.53Å; F677-F1023 AromaticContact CZ-CE2 3.51Å; F677-F1023 HydrophobicContact CZ-CE2 3.51Å; F677-F1023 AromaticContact CZ-CG 3.8Å; F677-F1023 HydrophobicContact CZ-CG 3.8Å; F677-F1023 AromaticContact CZ-CZ 3.43Å; F677-F1023 HydrophobicContact CZ-CZ 3.43Å; F677-F1023 VanDerWaalsContact CZ-CZ 3.43Å | ||
| 678 | P | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 130.9 | 178.9 | -29.9 | 36.7 | 0 | 0 | 0 | 113.3 | S310 V354 G649 T650 D653 T680 | S310-P678 WeakPolarHBondContact CB-O 3.01Å; S310-P678 PolarHBondContact OG-O 3.31Å; V354-P678 HydrophobicContact CB-CG 4.46Å; V354-P678 HydrophobicContact CG1-CG 4.27Å; V354-P678 HydrophobicContact CG2-CB 4.06Å; V354-P678 HydrophobicContact CG2-CG 3.93Å; G649-P678 WeakPolarHBondContact O-CG 3.05Å; T650-P678 WeakPolarHBondContact O-CG 3.48Å; D653-P678 HydrophobicContact CB-CG 4.1Å; P678-T680 PolarHBondContact O-N 3.5Å; P678-T680 VanDerWaalsContact O-N 3.11Å |
| 679 | H | 96.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 20.6 Ų | 20.6 | 3% | 0.032 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 17.3 | -178.5 | -69.2 | -114.1 | 0 | 0 | 0 | 116 | T327 Q353 H488 Y541 G647 L648 F677 | T327-H679 HydrophobicContact CG2-CB 4.44Å; Q353-H679 HydrophobicContact CB-CB 3.76Å; Q353-H679 VanDerWaalsContact CB-CD2 3.47Å; Q353-H679 WeakPolarHBondContact CB-CD2 3.49Å; Q353-H679 HydrophobicContact CG-CB 4.2Å; Q353-H679 PolarHBondContact O-CD2 2.99Å; H488-H679 AromaticContact CD2-ND1 3.96Å; H488-H679 AromaticContact CE1-ND1 3.53Å; H488-H679 AromaticContact NE2-CE1 3.76Å; H488-H679 AromaticContact NE2-CG 3.87Å; H488-H679 AromaticContact NE2-ND1 2.86Å; H488-H679 PolarHBondContact NE2-ND1 2.87Å; Y541-H679 AromaticContact CE1-CE1 3.64Å; Y541-H679 AromaticContact CE1-ND1 3.95Å; Y541-H679 AromaticContact CZ-CE1 3.64Å; G647-H679 WeakPolarHBondContact O-CA 3.41Å; G647-H679 PolarHBondContact O-N 3.36Å; L648-H679 WeakPolarHBondContact CD1-CD2 3.41Å; L648-H679 WeakPolarHBondContact CD1-NE2 3.26Å; F677-H679 PolarHBondContact O-N 3.24Å |
| 680 | T | 95.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 21.9 Ų | 21.9 | 11% | 0.11 | 12% | 0.117 | C | C | . | . | trans | -95.6 | 153.6 | 172.7 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | S329 F646 G647 F677 P678 | S329-T680 WeakPolarHBondContact OG-CG2 3.45Å; F646-T680 WeakPolarHBondContact CA-O 2.99Å; G647-T680 PolarHBondContact N-O 2.81Å; F677-T680 HydrophobicContact CB-CG2 3.83Å; F677-T680 HydrophobicContact CD2-CG2 4.14Å; F677-T680 PolarHBondContact N-OG1 2.8Å; F677-T680 WeakPolarHBondContact O-CB 3.33Å; F677-T680 PolarHBondContact O-N 3.48Å; F677-T680 PolarHBondContact O-OG1 2.94Å; P678-T680 PolarHBondContact O-N 3.5Å; P678-T680 VanDerWaalsContact O-N 3.11Å | ||
| 681 | T | 96.1 | Very high | 94.1 | Very high | 47 Ų | 47 | 28 Ų | 28 | 29% | 0.288 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.9 | -177.2 | 74.5 | 0 | 0 | 0 | 0 | 111.2 | P537 L539 T645 F646 | P537-T681 WeakPolarHBondContact O-CB 3.45Å; P537-T681 PolarHBondContact O-OG1 3.36Å; L539-T681 HydrophobicContact CG-CG2 4.46Å; T645-T681 CarbonylContact O-C 3.58Å; T645-T681 VanDerWaalsContact O-CA 3.29Å; T645-T681 WeakPolarHBondContact O-CA 3.26Å; F646-T681 HydrophobicContact CD1-CG2 3.58Å; F646-T681 HydrophobicContact CE1-CG2 4.07Å |
| 682 | A | 95.8 | Very high | 93.9 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 7% | 0.066 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 142.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y644 T645 V674 L676 L684 | Y644-A682 WeakPolarHBondContact CA-O 3.48Å; T645-A682 PolarHBondContact N-O 3.03Å; T645-A682 PolarHBondContact O-N 2.66Å; V674-A682 HydrophobicContact CG2-CB 4Å; L676-A682 HydrophobicContact CD2-CB 4Å; A682-L684 HydrophobicContact CB-CD2 3.95Å |
| 683 | A | 96.5 | Very high | 93.7 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P537 M642 Y644 | P537-A683 HydrophobicContact CG-CB 4.37Å; M642-A683 HydrophobicContact CE-CB 3.99Å; Y644-A683 HydrophobicContact CD1-CB 4.01Å; Y644-A683 HydrophobicContact CE1-CB 3.97Å |
| 684 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.8 | -175.6 | -36.3 | 173.2 | 0 | 0 | 0 | 109.4 | M642 W643 T645 F659 F664 K666 V674 A682 | M642-L684 WeakPolarHBondContact CA-O 3.36Å; W643-L684 HydrophobicContact CB-CB 4.16Å; W643-L684 HydrophobicContact CB-CD1 4.27Å; W643-L684 HydrophobicContact CB-CG 4.44Å; W643-L684 PolarHBondContact N-O 2.8Å; W643-L684 PolarHBondContact O-N 3.3Å; T645-L684 HydrophobicContact CG2-CD1 4Å; F659-L684 HydrophobicContact CE2-CD1 3.71Å; F659-L684 HydrophobicContact CZ-CD1 4.2Å; F664-L684 HydrophobicContact CB-CB 4.2Å; F664-L684 HydrophobicContact CD1-CD1 4.3Å; F664-L684 HydrophobicContact CD2-CB 3.82Å; F664-L684 HydrophobicContact CD2-CD1 4.32Å; F664-L684 HydrophobicContact CD2-CD2 3.98Å; F664-L684 HydrophobicContact CD2-CG 4.26Å; F664-L684 HydrophobicContact CE1-CD1 4.14Å; F664-L684 HydrophobicContact CE2-CB 4.37Å; F664-L684 HydrophobicContact CE2-CD1 4.18Å; F664-L684 HydrophobicContact CE2-CD2 3.72Å; F664-L684 HydrophobicContact CE2-CG 4.31Å; F664-L684 HydrophobicContact CG-CB 3.97Å; F664-L684 HydrophobicContact CG-CD1 4.39Å; F664-L684 HydrophobicContact CZ-CD1 4.08Å; F664-L684 HydrophobicContact CZ-CD2 4.3Å; K666-L684 HydrophobicContact CB-CD2 4.33Å; K666-L684 HydrophobicContact CD-CD2 4.45Å; K666-L684 HydrophobicContact CG-CD2 4.38Å; V674-L684 HydrophobicContact CB-CD2 4.23Å; V674-L684 HydrophobicContact CG1-CD1 3.74Å; V674-L684 HydrophobicContact CG1-CD2 4.13Å; V674-L684 HydrophobicContact CG2-CD2 4.21Å; A682-L684 HydrophobicContact CB-CD2 3.95Å |
| 685 | F | 96.9 | Very high | 93.4 | Very high | 71 Ų | 71 | 34.2 Ų | 34.2 | 31% | 0.311 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.9 | 175.1 | 175.8 | -98.6 | 0 | 0 | 0 | 110.3 | I575 N640 M642 F664 K665 | I575-F685 HydrophobicContact CD1-CD2 4.29Å; I575-F685 HydrophobicContact CD1-CE2 4.13Å; N640-F685 HydrophobicContact CB-CE2 3.97Å; N640-F685 HydrophobicContact CB-CZ 4.34Å; M642-F685 HydrophobicContact SD-CB 3.85Å; M642-F685 HydrophobicContact SD-CD2 3.73Å; M642-F685 HydrophobicContact SD-CG 4.3Å; F664-F685 CarbonylContact C-O 3.58Å; F664-F685 WeakPolarHBondContact CA-O 3.29Å; F664-F685 WeakPolarHBondContact CB-O 3.42Å; K665-F685 HydrophobicContact CB-CB 4.46Å; K665-F685 HydrophobicContact CG-CD1 4.46Å; K665-F685 PolarHBondContact N-O 3.35Å; K665-F685 PolarHBondContact O-N 2.82Å |
| 686 | M | 95.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 139.5 | 179.2 | -175.9 | -177 | -73.1 | 0 | 0 | 110.5 | V641 F659 N662 F664 P688 | V641-M686 HydrophobicContact CB-CB 4.46Å; V641-M686 WeakPolarHBondContact CB-O 3.24Å; V641-M686 PolarHBondContact N-O 3.1Å; V641-M686 PolarHBondContact O-N 2.98Å; F659-M686 HydrophobicContact CB-CE 3.82Å; F659-M686 HydrophobicContact CD1-CE 3.68Å; F659-M686 HydrophobicContact CE1-CE 4.38Å; F659-M686 HydrophobicContact CG-CE 3.76Å; N662-M686 HydrophobicContact CB-CE 4.13Å; N662-M686 HydrophobicContact CB-SD 3.96Å; F664-M686 HydrophobicContact CB-CB 4.14Å; F664-M686 HydrophobicContact CB-CE 4.27Å; F664-M686 HydrophobicContact CD1-CE 4.3Å; M686-P688 HydrophobicContact SD-CB 4.47Å |
| 687 | Q | 93.9 | Very high | 93.4 | Very high | 89 Ų | 89 | 33 Ų | 33 | 42% | 0.416 | 18% | 0.176 | S | C | . | . | trans | -123.5 | 91.9 | 167.4 | -173.9 | 173.5 | 71.4 | 0 | 0 | 108.7 | D639 N640 N689 | D639-Q687 WeakPolarHBondContact O-CA 3.43Å; N640-Q687 PolarHBondContact OD1-NE2 3.03Å; Q687-N689 PolarHBondContact O-N 2.98Å | ||
| 688 | P | 90.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -74.2 | 120.7 | -172.3 | 31 | -35.1 | 0 | 0 | 0 | 110.2 | M635 A637 G638 D639 V641 M686 V714 | M635-P688 HydrophobicContact CG-CG 4.06Å; M635-P688 HydrophobicContact SD-CB 4.44Å; M635-P688 HydrophobicContact SD-CG 3.76Å; A637-P688 CarbonylContact C-O 3.56Å; A637-P688 VanDerWaalsContact CA-O 3.31Å; A637-P688 WeakPolarHBondContact CA-O 3.23Å; G638-P688 PolarHBondContact N-O 2.99Å; D639-P688 WeakPolarHBondContact O-CD 2.9Å; V641-P688 HydrophobicContact CG2-CG 4.27Å; M686-P688 HydrophobicContact SD-CB 4.47Å; P688-V714 HydrophobicContact CB-CG1 3.98Å; P688-V714 HydrophobicContact CB-CG2 3.86Å; P688-V714 HydrophobicContact CG-CG1 4.24Å; P688-V714 HydrophobicContact CG-CG2 4.41Å | ||
| 689 | N | 81.6 | Confident | 93.3 | Very high | 67 Ų | 67 | 33 Ų | 33 | 36% | 0.358 | 18% | 0.175 | S | C | . | . | trans | -105.1 | -19.2 | 177.9 | -68.3 | -47.5 | 0 | 0 | 0 | 112.5 | Q687 | Q687-N689 PolarHBondContact O-N 2.98Š| ||
| 690 | N | 80.8 | Confident | 93.4 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 18% | 0.176 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -89.7 | 116.6 | 178.5 | -63.8 | -34.1 | 0 | 0 | 0 | 108.9 | G661 F694 V714 K839 | G661-N690 PolarHBondContact O-ND2 2.96Å; N690-F694 HydrophobicContact CB-CZ 3.83Å; N690-F694 VanDerWaalsContact O-CE2 3.29Å; N690-F694 WeakPolarHBondContact O-CE2 3.24Å; N690-V714 WeakPolarHBondContact O-CB 3.45Å; N690-V714 VanDerWaalsContact O-CG1 3.31Å; N690-V714 WeakPolarHBondContact O-CG1 3.06Å; N690-K839 WeakPolarHBondContact OD1-CD 3.39Å |
| 691 | H | 85.7 | Confident | 93.5 | Very high | 130 Ų | 130 | 31.8 Ų | 31.8 | 60% | 0.602 | 17% | 0.169 | S | C | * | . | trans | -81.3 | 140.5 | 171.8 | 63.4 | -84.4 | 0 | 0 | 0 | 109.3 | V714 | H691-V714 WeakPolarHBondContact CA-O 3.23Å; H691-V714 WeakPolarHBondContact CB-O 3.36Å | ||
| 692 | G | 89.8 | Confident | 93.4 | Very high | 28 Ų | 28 | 32.7 Ų | 32.7 | 29% | 0.289 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.2 | -177.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V714 | G692-V714 PolarHBondContact N-O 2.98Å; G692-V714 PolarHBondContact O-N 2.96Å |
| 693 | L | 92.3 | Very high | 93.6 | Very high | 111 Ų | 111 | 32.3 Ų | 32.3 | 58% | 0.581 | 17% | 0.169 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.8 | 167.3 | -173.5 | 68.5 | 0 | 0 | 0 | 105.9 | L711 K713 | L693-L711 HydrophobicContact CD1-CB 3.99Å; L693-L711 HydrophobicContact CD2-CD1 4.24Å; L693-L711 HydrophobicContact CG-CB 4.44Å; L693-L711 HydrophobicContact CG-CD2 4.32Å; L693-K713 HydrophobicContact CD1-CB 4.15Å; L693-K713 HydrophobicContact CD1-CG 4.48Å |
| 694 | F | 93.6 | Very high | 93.6 | Very high | 28 Ų | 28 | 32.2 Ų | 32.2 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 154.7 | -171.8 | -61.1 | -74.8 | 0 | 0 | 0 | 109.5 | E660 N690 L711 Y712 V714 | E660-F694 HydrophobicContact CB-CB 4.36Å; E660-F694 WeakPolarHBondContact O-CB 3.28Å; E660-F694 VanDerWaalsContact O-CD1 3.24Å; E660-F694 WeakPolarHBondContact O-CD1 3.47Å; E660-F694 WeakPolarHBondContact O-CG 3.47Å; N690-F694 HydrophobicContact CB-CZ 3.83Å; N690-F694 VanDerWaalsContact O-CE2 3.29Å; N690-F694 WeakPolarHBondContact O-CE2 3.24Å; F694-L711 CarbonylContact O-C 3.55Å; F694-L711 VanDerWaalsContact O-CA 3.31Å; F694-L711 WeakPolarHBondContact O-CA 3.41Å; F694-Y712 HydrophobicContact CB-CD1 3.84Å; F694-Y712 HydrophobicContact CB-CD2 4.46Å; F694-Y712 HydrophobicContact CB-CE1 3.26Å; F694-Y712 HydrophobicContact CB-CE2 3.96Å; F694-Y712 HydrophobicContact CB-CG 4.4Å; F694-Y712 HydrophobicContact CD2-CD2 4.47Å; F694-Y712 AromaticContact CD2-CE2 3.81Å; F694-Y712 HydrophobicContact CD2-CE2 3.81Å; F694-Y712 AromaticContact CD2-CZ 3.89Å; F694-Y712 HydrophobicContact CG-CE1 4.27Å; F694-Y712 HydrophobicContact CG-CE2 4.23Å; F694-Y712 AromaticContact CG-CZ 3.84Å; F694-Y712 PolarHBondContact N-O 2.83Å; F694-Y712 WeakPolarHBondContact O-CD1 3.44Å; F694-Y712 PolarHBondContact O-N 3.42Å; F694-V714 HydrophobicContact CD2-CG2 4.09Å; F694-V714 HydrophobicContact CE2-CB 4.25Å; F694-V714 HydrophobicContact CE2-CG2 4.01Å |
| 695 | E | 94.6 | Very high | 93.5 | Very high | 17 Ų | 17 | 34 Ų | 34 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 142.3 | 173.8 | -155.7 | 169.6 | 153.3 | 0 | 0 | 111.9 | E660 D697 R709 H710 Y712 | E660-E695 HydrophobicContact CB-CB 4.26Å; E660-E695 VanDerWaalsContact CB-O 3.27Å; E660-E695 WeakPolarHBondContact CB-O 3.27Å; E660-E695 PolarHBondContact N-O 3.48Å; E660-E695 PolarHBondContact OE2-N 3.28Å; E660-E695 VanDerWaalsContact OE2-N 3.14Å; E695-D697 HydrophobicContact CG-CB 4Å; E695-D697 WeakPolarHBondContact OE1-CB 3.46Å; E695-R709 HydrophobicContact CG-CB 4.47Å; E695-R709 VanDerWaalsContact OE1-CB 3.25Å; E695-R709 WeakPolarHBondContact OE1-CB 3.41Å; E695-R709 IonicContact OE1-CZ 3.59Å; E695-R709 IonicContact OE1-NE 3.62Å; E695-R709 PolarHBondContact OE1-NE 3.3Å; E695-R709 IonicContact OE1-NH1 3.8Å; E695-R709 PolarHBondContact OE1-NH1 2.92Å; E695-R709 IonicContact OE2-NH1 3.11Å; E695-R709 PolarHBondContact OE2-NH1 3.01Å; E695-H710 CarbonylContact C-O 3.6Å; E695-H710 WeakPolarHBondContact CA-O 3.41Å; E695-H710 WeakPolarHBondContact CG-O 3.24Å; E695-Y712 WeakPolarHBondContact O-CE1 3.34Å |
| 696 | V | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115.2 | 157.2 | 56.4 | 0 | 0 | 0 | 0 | 106.6 | L581 F583 L633 V657 Y658 F659 R709 H710 Y712 | L581-V696 HydrophobicContact CD1-CG2 4.27Å; F583-V696 HydrophobicContact CZ-CG2 4.28Å; L633-V696 HydrophobicContact CD1-CG1 4.14Å; V657-V696 HydrophobicContact CG1-CG2 4.13Å; Y658-V696 WeakPolarHBondContact O-CA 3.49Å; F659-V696 HydrophobicContact CD1-CB 4.28Å; F659-V696 HydrophobicContact CD1-CG2 4.04Å; F659-V696 HydrophobicContact CE1-CB 4.32Å; F659-V696 HydrophobicContact CE1-CG2 3.78Å; F659-V696 HydrophobicContact CE2-CG2 4.39Å; F659-V696 HydrophobicContact CG-CG2 4.45Å; F659-V696 HydrophobicContact CZ-CG2 3.99Å; V696-R709 WeakPolarHBondContact O-CA 3.39Å; V696-H710 HydrophobicContact CG1-CB 4.11Å; V696-H710 PolarHBondContact N-O 2.78Å; V696-H710 PolarHBondContact O-N 3.05Å; V696-Y712 HydrophobicContact CB-CD1 4.22Å; V696-Y712 HydrophobicContact CG1-CD1 4.46Å |
| 697 | D | 96.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 157.8 | -171 | 57.7 | 102.3 | 0 | 0 | 0 | 112.4 | Y658 E695 R699 F704 R709 | Y658-D697 WeakPolarHBondContact CD1-OD2 3.38Å; Y658-D697 PolarHBondContact N-O 3.2Å; Y658-D697 PolarHBondContact O-N 3.48Å; Y658-D697 VanDerWaalsContact O-N 3.13Å; E695-D697 HydrophobicContact CG-CB 4Å; E695-D697 WeakPolarHBondContact OE1-CB 3.46Å; D697-R699 IonicContact OD1-CZ 3.95Å; D697-R699 VanDerWaalsContact OD1-CZ 3.26Å; D697-R699 IonicContact OD1-NE 3.43Å; D697-R699 IonicContact OD1-NH1 3.89Å; D697-R699 PolarHBondContact OD1-NH1 3.2Å; D697-F704 HydrophobicContact CB-CD2 4.21Å; D697-F704 HydrophobicContact CB-CE2 4.43Å; D697-R709 HydrophobicContact CB-CB 3.83Å |
| 698 | C | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.4 | 168.3 | -168.1 | 0 | 0 | 0 | 0 | 109.8 | G656 H703 F704 M708 | G656-C698 CarbonylContact O-C 3.59Å; G656-C698 WeakPolarHBondContact O-CA 3.31Å; C698-H703 HydrophobicContact CB-CB 3.87Å; C698-H703 PolarHBondContact SG-ND1 2.92Å; C698-H703 VanDerWaalsContact SG-ND1 3.36Å; C698-F704 WeakPolarHBondContact O-CB 3.33Å; C698-M708 HydrophobicContact CB-CB 4.08Å; C698-M708 HydrophobicContact CB-CG 3.94Å; C698-M708 HydrophobicContact CB-SD 3.74Å; C698-M708 PolarHBondContact N-O 3.13Å |
| 699 | R | 96.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 5% | 0.045 | 15% | 0.146 | C | C | . | . | trans | -84.7 | -12.1 | 179.3 | -69.5 | -49.2 | -160.7 | -167.8 | 0.3 | 115 | G656 Y658 T673 D697 T701 Y883 P1024 | G656-R699 WeakPolarHBondContact O-CB 3.45Å; G656-R699 WeakPolarHBondContact O-CG 3.3Å; G656-R699 PolarHBondContact O-N 2.68Å; Y658-R699 HydrophobicContact CG-CG 4.48Å; T673-R699 HydrophobicContact CG2-CG 4.41Å; D697-R699 IonicContact OD1-CZ 3.95Å; D697-R699 VanDerWaalsContact OD1-CZ 3.26Å; D697-R699 IonicContact OD1-NE 3.43Å; D697-R699 IonicContact OD1-NH1 3.89Å; D697-R699 PolarHBondContact OD1-NH1 3.2Å; R699-T701 PolarHBondContact O-N 3.41Å; R699-Y883 PolarHBondContact O-OH 2.97Å; R699-P1024 HydrophobicContact CB-CB 4.28Å | ||
| 700 | T | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -64.2 | 122.9 | 168.5 | -46.8 | 0 | 0 | 0 | 0 | 108.3 | I654 D702 H703 F704 G992 N993 E994 | I654-T700 PolarHBondContact O-OG1 2.84Å; T700-D702 PolarHBondContact O-N 3.12Å; T700-H703 PolarHBondContact O-N 3.49Å; T700-F704 WeakPolarHBondContact O-CB 3.34Å; T700-F704 PolarHBondContact O-N 3.05Å; T700-G992 WeakPolarHBondContact CA-O 3.49Å; T700-N993 VanDerWaalsContact CG2-C 3.49Å; T700-E994 HydrophobicContact CG2-CB 4.3Å; T700-E994 HydrophobicContact CG2-CG 3.5Å |
| 701 | T | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -39.6 | -165 | 44.8 | 0 | 0 | 0 | 0 | 113.7 | R699 F704 S705 Y883 I884 L887 F888 G992 N993 | R699-T701 PolarHBondContact O-N 3.41Å; T701-F704 WeakPolarHBondContact O-CB 3.06Å; T701-F704 PolarHBondContact O-N 3.11Å; T701-S705 WeakPolarHBondContact O-CB 3.25Å; T701-S705 PolarHBondContact O-N 3.34Å; T701-Y883 HydrophobicContact CG2-CE1 4.29Å; T701-I884 HydrophobicContact CG2-CG1 4.11Å; T701-I884 HydrophobicContact CG2-CG2 4.2Å; T701-I884 WeakPolarHBondContact O-CD1 3.34Å; T701-L887 HydrophobicContact CG2-CD2 4.36Å; T701-F888 HydrophobicContact CG2-CE2 3.86Å; T701-F888 HydrophobicContact CG2-CZ 4.02Å; T701-G992 PolarHBondContact N-O 2.71Å; T701-N993 WeakPolarHBondContact OG1-CA 3.44Å; T701-N993 WeakPolarHBondContact OG1-CB 3.49Å; T701-N993 PolarHBondContact OG1-OD1 3.24Å |
| 702 | D | 95.7 | Very high | 96 | Very high | 66 Ų | 66 | 18.6 Ų | 18.6 | 35% | 0.353 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -70.1 | -47.4 | 179.9 | -72.5 | -8.2 | 0 | 0 | 0 | 111.1 | T700 F704 S705 A706 N993 | T700-D702 PolarHBondContact O-N 3.12Å; D702-F704 VanDerWaalsContact C-N 3.27Å; D702-F704 PolarHBondContact O-N 3.18Å; D702-S705 PolarHBondContact O-N 2.79Å; D702-S705 PolarHBondContact O-OG 2.85Å; D702-A706 VanDerWaalsContact O-CB 3.24Å; D702-A706 WeakPolarHBondContact O-CB 3.31Å; D702-A706 PolarHBondContact O-N 2.74Å; D702-N993 VanDerWaalsContact CB-OD1 3.32Å; D702-N993 WeakPolarHBondContact CB-OD1 3.46Å; D702-N993 PolarHBondContact N-OD1 2.98Å; D702-N993 PolarHBondContact OD1-ND2 3.26Å; D702-N993 PolarHBondContact OD2-ND2 3.26Å; D702-N993 PolarHBondContact OD2-OD1 3.44Å |
| 703 | H | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -52.9 | -44 | 171.8 | -59.7 | 175.3 | 0 | 0 | 0 | 112.6 | H620 A652 I654 H655 C698 T700 G707 M708 E994 | H620-H703 AromaticContact CD2-CD2 3.46Å; H620-H703 PolarHBondContact CD2-CD2 3.47Å; H620-H703 VanDerWaalsContact CD2-CD2 3.46Å; H620-H703 AromaticContact NE2-CD2 3.84Å; A652-H703 PolarHBondContact O-CE1 2.77Å; A652-H703 PolarHBondContact O-NE2 3.1Å; I654-H703 PolarHBondContact O-CE1 3.05Å; I654-H703 VanDerWaalsContact O-CE1 3.27Å; I654-H703 PolarHBondContact O-ND1 2.86Å; H655-H703 AromaticContact CE1-CE1 3.26Å; H655-H703 PolarHBondContact CE1-CE1 3.19Å; H655-H703 AromaticContact CE1-ND1 3.38Å; H655-H703 PolarHBondContact CE1-ND1 3.48Å; H655-H703 AromaticContact ND1-CE1 3.47Å; H655-H703 PolarHBondContact ND1-CE1 3.2Å; H655-H703 AromaticContact ND1-ND1 3.18Å; H655-H703 PolarHBondContact ND1-ND1 3.1Å; H655-H703 VanDerWaalsContact ND1-ND1 3.18Å; C698-H703 HydrophobicContact CB-CB 3.87Å; C698-H703 PolarHBondContact SG-ND1 2.92Å; C698-H703 VanDerWaalsContact SG-ND1 3.36Å; T700-H703 PolarHBondContact O-N 3.49Å; H703-G707 PolarHBondContact O-N 3.37Å; H703-G707 VanDerWaalsContact O-N 3.14Å; H703-M708 HydrophobicContact CB-CB 4.12Å; H703-M708 HydrophobicContact CB-CE 4.4Å; H703-M708 HydrophobicContact CB-SD 4.15Å; H703-M708 VanDerWaalsContact O-CB 3.25Å; H703-M708 WeakPolarHBondContact O-CB 3.32Å; H703-M708 PolarHBondContact O-N 2.57Å; H703-E994 IonicContact CD2-OE1 2.77Å; H703-E994 PolarHBondContact CD2-OE1 2.93Å; H703-E994 IonicContact NE2-OE1 2.6Å; H703-E994 PolarHBondContact NE2-OE1 3.05Å |
| 704 | F | 96.7 | Very high | 96.4 | Very high | 21 Ų | 21 | 16.5 Ų | 16.5 | 9% | 0.092 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 177.5 | 179.8 | -94.9 | 0 | 0 | 0 | 111.8 | D697 C698 T700 T701 D702 R709 Y883 I884 | D697-F704 HydrophobicContact CB-CD2 4.21Å; D697-F704 HydrophobicContact CB-CE2 4.43Å; C698-F704 WeakPolarHBondContact O-CB 3.33Å; T700-F704 WeakPolarHBondContact O-CB 3.34Å; T700-F704 PolarHBondContact O-N 3.05Å; T701-F704 WeakPolarHBondContact O-CB 3.06Å; T701-F704 PolarHBondContact O-N 3.11Å; D702-F704 VanDerWaalsContact C-N 3.27Å; D702-F704 PolarHBondContact O-N 3.18Å; F704-R709 VanDerWaalsContact CD2-NH2 3.27Å; F704-R709 PolarHBondContact O-NH2 2.92Å; F704-Y883 AromaticContact CD1-CD1 3.64Å; F704-Y883 HydrophobicContact CD1-CD1 3.64Å; F704-Y883 HydrophobicContact CD1-CE1 4.38Å; F704-Y883 HydrophobicContact CD2-CD1 4.06Å; F704-Y883 HydrophobicContact CD2-CE1 4.33Å; F704-Y883 AromaticContact CE1-CD1 3.5Å; F704-Y883 HydrophobicContact CE1-CD1 3.5Å; F704-Y883 VanDerWaalsContact CE1-CD1 3.5Å; F704-Y883 AromaticContact CE1-CG 3.99Å; F704-Y883 HydrophobicContact CE1-CG 3.99Å; F704-Y883 AromaticContact CE2-CD1 3.93Å; F704-Y883 HydrophobicContact CE2-CD1 3.93Å; F704-Y883 HydrophobicContact CE2-CG 4.41Å; F704-Y883 AromaticContact CG-CD1 3.89Å; F704-Y883 HydrophobicContact CG-CD1 3.89Å; F704-Y883 HydrophobicContact CG-CE1 4.23Å; F704-Y883 AromaticContact CZ-CD1 3.62Å; F704-Y883 HydrophobicContact CZ-CD1 3.62Å; F704-Y883 AromaticContact CZ-CG 3.87Å; F704-Y883 HydrophobicContact CZ-CG 3.87Å; F704-I884 HydrophobicContact CD1-CD1 3.98Å; F704-I884 HydrophobicContact CD1-CG1 4Å; F704-I884 HydrophobicContact CE1-CG1 4.38Å |
| 705 | S | 95.3 | Very high | 96.4 | Very high | 39 Ų | 39 | 18.4 Ų | 18.4 | 27% | 0.273 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -70.5 | -40.2 | -179.3 | 90.7 | 0 | 0 | 0 | 0 | 112 | Y627 T701 D702 G707 | Y627-S705 WeakPolarHBondContact CE1-O 3.43Å; Y627-S705 PolarHBondContact OH-O 2.78Å; T701-S705 WeakPolarHBondContact O-CB 3.25Å; T701-S705 PolarHBondContact O-N 3.34Å; D702-S705 PolarHBondContact O-N 2.79Å; D702-S705 PolarHBondContact O-OG 2.85Å; S705-G707 VanDerWaalsContact C-N 3.25Å; S705-G707 PolarHBondContact O-N 3.08Å |
| 706 | A | 96.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 2% | 0.017 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -76.6 | -8.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | F421 H620 M626 Y627 D702 | F421-A706 HydrophobicContact CE1-CB 4.49Å; F421-A706 HydrophobicContact CE2-CB 3.62Å; F421-A706 HydrophobicContact CZ-CB 3.58Å; H620-A706 HydrophobicContact CB-CB 3.67Å; H620-A706 VanDerWaalsContact ND1-CB 3.34Å; H620-A706 WeakPolarHBondContact ND1-CB 3.48Å; M626-A706 WeakPolarHBondContact CE-O 3.17Å; Y627-A706 WeakPolarHBondContact CE2-O 3.46Å; Y627-A706 WeakPolarHBondContact OH-CA 3.47Å; Y627-A706 PolarHBondContact OH-O 3.27Å; Y627-A706 VanDerWaalsContact OH-O 3.04Å; D702-A706 VanDerWaalsContact O-CB 3.24Å; D702-A706 WeakPolarHBondContact O-CB 3.31Å; D702-A706 PolarHBondContact O-N 2.74Å |
| 707 | G | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 112.8 | 15.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | H620 Y627 H703 S705 R709 | H620-G707 CarbonylContact O-C 3.53Å; Y627-G707 VanDerWaalsContact CZ-CA 3.48Å; Y627-G707 PolarHBondContact N-O 3.29Å; H703-G707 PolarHBondContact O-N 3.37Å; H703-G707 VanDerWaalsContact O-N 3.14Å; S705-G707 VanDerWaalsContact C-N 3.25Å; S705-G707 PolarHBondContact O-N 3.08Å; G707-R709 VanDerWaalsContact C-CG 3.44Å; G707-R709 WeakPolarHBondContact O-CG 3.26Å; G707-R709 PolarHBondContact O-N 2.79Å |
| 708 | M | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -75 | 67.9 | 175.1 | -163.2 | 176.1 | -69.4 | 0 | 0 | 112.2 | F583 V585 H620 I622 H655 C698 H703 | F583-M708 HydrophobicContact CB-SD 4.24Å; F583-M708 HydrophobicContact CD1-CG 3.94Å; F583-M708 HydrophobicContact CD1-SD 3.65Å; F583-M708 HydrophobicContact CE1-CG 4.36Å; F583-M708 HydrophobicContact CG-SD 4.43Å; V585-M708 HydrophobicContact CG2-CE 4.24Å; H620-M708 HydrophobicContact CB-CB 4.4Å; H620-M708 HydrophobicContact CB-CE 4.07Å; H620-M708 PolarHBondContact O-N 3.43Å; I622-M708 HydrophobicContact CD1-CG 4.05Å; I622-M708 HydrophobicContact CG1-CG 3.64Å; H655-M708 PolarHBondContact CE1-SD 3.23Å; H655-M708 PolarHBondContact ND1-SD 3.02Å; C698-M708 HydrophobicContact CB-CB 4.08Å; C698-M708 HydrophobicContact CB-CG 3.94Å; C698-M708 HydrophobicContact CB-SD 3.74Å; C698-M708 PolarHBondContact N-O 3.13Å; H703-M708 HydrophobicContact CB-CB 4.12Å; H703-M708 HydrophobicContact CB-CE 4.4Å; H703-M708 HydrophobicContact CB-SD 4.15Å; H703-M708 VanDerWaalsContact O-CB 3.25Å; H703-M708 WeakPolarHBondContact O-CB 3.32Å; H703-M708 PolarHBondContact O-N 2.57Å | ||
| 709 | R | 96.3 | Very high | 93 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 132.6 | -169 | 33.3 | 167.2 | 17.1 | 132.2 | 157 | 111.6 | I406 G628 E695 V696 D697 F704 G707 | I406-R709 HydrophobicContact CD1-CB 3.83Å; I406-R709 HydrophobicContact CD1-CG 3.87Å; G628-R709 PolarHBondContact N-O 3.04Å; E695-R709 HydrophobicContact CG-CB 4.47Å; E695-R709 VanDerWaalsContact OE1-CB 3.25Å; E695-R709 WeakPolarHBondContact OE1-CB 3.41Å; E695-R709 IonicContact OE1-CZ 3.59Å; E695-R709 IonicContact OE1-NE 3.62Å; E695-R709 PolarHBondContact OE1-NE 3.3Å; E695-R709 IonicContact OE1-NH1 3.8Å; E695-R709 PolarHBondContact OE1-NH1 2.92Å; E695-R709 IonicContact OE2-NH1 3.11Å; E695-R709 PolarHBondContact OE2-NH1 3.01Å; V696-R709 WeakPolarHBondContact O-CA 3.39Å; D697-R709 HydrophobicContact CB-CB 3.83Å; F704-R709 VanDerWaalsContact CD2-NH2 3.27Å; F704-R709 PolarHBondContact O-NH2 2.92Å; G707-R709 VanDerWaalsContact C-CG 3.44Å; G707-R709 WeakPolarHBondContact O-CG 3.26Å; G707-R709 PolarHBondContact O-N 2.79Å |
| 710 | H | 97.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 170.5 | 177.4 | -68.2 | -65.8 | 0 | 0 | 0 | 113.6 | L625 G628 N629 L630 E695 V696 | L625-H710 VanDerWaalsContact C-CE1 3.46Å; L625-H710 PolarHBondContact O-CE1 2.68Å; L625-H710 VanDerWaalsContact O-CE1 3.26Å; L625-H710 PolarHBondContact O-NE2 2.69Å; G628-H710 VanDerWaalsContact C-ND1 3.26Å; G628-H710 VanDerWaalsContact CA-ND1 3.27Å; G628-H710 WeakPolarHBondContact CA-ND1 3.44Å; G628-H710 PolarHBondContact N-ND1 2.95Å; N629-H710 PolarHBondContact N-ND1 3.09Å; L630-H710 HydrophobicContact CB-CB 4.09Å; L630-H710 VanDerWaalsContact CB-CE1 3.47Å; L630-H710 WeakPolarHBondContact CB-CE1 3.2Å; L630-H710 VanDerWaalsContact CB-ND1 3.28Å; L630-H710 WeakPolarHBondContact CB-ND1 3.5Å; L630-H710 PolarHBondContact N-CE1 3.24Å; L630-H710 VanDerWaalsContact N-CE1 3.34Å; L630-H710 PolarHBondContact N-ND1 2.9Å; E695-H710 CarbonylContact C-O 3.6Å; E695-H710 WeakPolarHBondContact CA-O 3.41Å; E695-H710 WeakPolarHBondContact CG-O 3.24Å; V696-H710 HydrophobicContact CG1-CB 4.11Å; V696-H710 PolarHBondContact N-O 2.78Å; V696-H710 PolarHBondContact O-N 3.05Å |
| 711 | L | 96.6 | Very high | 89 | Confident | 46 Ų | 46 | 53.2 Ų | 53.2 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133 | 180 | -61.5 | 168.1 | 0 | 0 | 0 | 110.3 | I406 L693 F694 | I406-L711 HydrophobicContact CG1-CD1 4.21Å; I406-L711 HydrophobicContact CG1-CD2 4.17Å; I406-L711 HydrophobicContact CG1-CG 4.03Å; L693-L711 HydrophobicContact CD1-CB 3.99Å; L693-L711 HydrophobicContact CD2-CD1 4.24Å; L693-L711 HydrophobicContact CG-CB 4.44Å; L693-L711 HydrophobicContact CG-CD2 4.32Å; F694-L711 CarbonylContact O-C 3.55Å; F694-L711 VanDerWaalsContact O-CA 3.31Å; F694-L711 WeakPolarHBondContact O-CA 3.41Å |
| 712 | Y | 96.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.1 | 167.7 | 76.5 | -84.8 | 0 | 0 | 0 | 111 | L633 M635 W643 F659 E660 N662 F694 E695 V696 V714 | L633-Y712 WeakPolarHBondContact O-CA 3.41Å; M635-Y712 HydrophobicContact CE-CD2 4.04Å; W643-Y712 HydrophobicContact CH2-CG 4.42Å; W643-Y712 HydrophobicContact CZ2-CD2 4.43Å; F659-Y712 HydrophobicContact CD1-CE1 4.29Å; E660-Y712 PolarHBondContact O-OH 2.94Å; N662-Y712 PolarHBondContact ND2-OH 2.99Å; F694-Y712 HydrophobicContact CB-CD1 3.84Å; F694-Y712 HydrophobicContact CB-CD2 4.46Å; F694-Y712 HydrophobicContact CB-CE1 3.26Å; F694-Y712 HydrophobicContact CB-CE2 3.96Å; F694-Y712 HydrophobicContact CB-CG 4.4Å; F694-Y712 HydrophobicContact CD2-CD2 4.47Å; F694-Y712 AromaticContact CD2-CE2 3.81Å; F694-Y712 HydrophobicContact CD2-CE2 3.81Å; F694-Y712 AromaticContact CD2-CZ 3.89Å; F694-Y712 HydrophobicContact CG-CE1 4.27Å; F694-Y712 HydrophobicContact CG-CE2 4.23Å; F694-Y712 AromaticContact CG-CZ 3.84Å; F694-Y712 PolarHBondContact N-O 2.83Å; F694-Y712 WeakPolarHBondContact O-CD1 3.44Å; F694-Y712 PolarHBondContact O-N 3.42Å; E695-Y712 WeakPolarHBondContact O-CE1 3.34Å; V696-Y712 HydrophobicContact CB-CD1 4.22Å; V696-Y712 HydrophobicContact CG1-CD1 4.46Å; Y712-V714 HydrophobicContact CD2-CG2 4.07Å; Y712-V714 HydrophobicContact CE2-CG2 3.82Å |
| 713 | K | 96 | Very high | 84.5 | Confident | 92 Ų | 92 | 61.9 Ų | 61.9 | 40% | 0.4 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.2 | -171.2 | -171.3 | 172.2 | -177 | 169.6 | 0 | 111.8 | L633 E634 M635 L693 K715 | L633-K713 PolarHBondContact O-N 3.09Å; E634-K713 WeakPolarHBondContact CA-O 3.29Å; E634-K713 HydrophobicContact CG-CB 4.3Å; M635-K713 PolarHBondContact N-O 3.39Å; L693-K713 HydrophobicContact CD1-CB 4.15Å; L693-K713 HydrophobicContact CD1-CG 4.48Å; K713-K715 HydrophobicContact CD-CG 4.35Å; K713-K715 HydrophobicContact CG-CG 4.12Å |
| 714 | V | 94.5 | Very high | 82.3 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 111.4 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | M635 A637 P688 N690 H691 G692 F694 Y712 | M635-V714 HydrophobicContact CG-CG2 4.01Å; M635-V714 WeakPolarHBondContact O-CA 3.48Å; M635-V714 HydrophobicContact SD-CG2 4.3Å; A637-V714 HydrophobicContact CB-CG1 3.96Å; P688-V714 HydrophobicContact CB-CG1 3.98Å; P688-V714 HydrophobicContact CB-CG2 3.86Å; P688-V714 HydrophobicContact CG-CG1 4.24Å; P688-V714 HydrophobicContact CG-CG2 4.41Å; N690-V714 WeakPolarHBondContact O-CB 3.45Å; N690-V714 VanDerWaalsContact O-CG1 3.31Å; N690-V714 WeakPolarHBondContact O-CG1 3.06Å; H691-V714 WeakPolarHBondContact CA-O 3.23Å; H691-V714 WeakPolarHBondContact CB-O 3.36Å; G692-V714 PolarHBondContact N-O 2.98Å; G692-V714 PolarHBondContact O-N 2.96Å; F694-V714 HydrophobicContact CD2-CG2 4.09Å; F694-V714 HydrophobicContact CE2-CB 4.25Å; F694-V714 HydrophobicContact CE2-CG2 4.01Å; Y712-V714 HydrophobicContact CD2-CG2 4.07Å; Y712-V714 HydrophobicContact CE2-CG2 3.82Å |
| 715 | K | 93 | Very high | 79.9 | Confident | 67 Ų | 67 | 69.7 Ų | 69.7 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 146.4 | -176.1 | -64.1 | 177.7 | -178.2 | 173.3 | 0 | 111.8 | E634 M635 C636 A637 K713 C717 | E634-K715 VanDerWaalsContact OE1-CE 3.23Å; E634-K715 WeakPolarHBondContact OE1-CE 3.39Å; E634-K715 IonicContact OE1-NZ 3.54Å; E634-K715 PolarHBondContact OE1-NZ 3.18Å; E634-K715 IonicContact OE2-NZ 3.46Å; E634-K715 PolarHBondContact OE2-NZ 3.32Å; M635-K715 PolarHBondContact O-N 2.97Å; C636-K715 CarbonylContact C-O 3.51Å; C636-K715 WeakPolarHBondContact CA-O 3.36Å; A637-K715 PolarHBondContact N-O 3.05Å; K713-K715 HydrophobicContact CD-CG 4.35Å; K713-K715 HydrophobicContact CG-CG 4.12Å; K715-C717 PolarHBondContact O-N 3.48Å |
| 716 | P | 88.8 | Confident | 77.7 | Confident | 104 Ų | 104 | 73.8 Ų | 73.8 | 68% | 0.675 | 39% | 0.391 | S | S | * | . | trans | -73.2 | 119.9 | 164.9 | 30 | -31.4 | 0 | 0 | 0 | 109.6 | ||||
| 717 | C | 85.7 | Confident | 75.7 | Confident | 48 Ų | 48 | 78.2 Ų | 78.2 | 32% | 0.324 | 42% | 0.421 | S | S | . | . | trans | -115.9 | 139.9 | -177.9 | -62.1 | 0 | 0 | 0 | 0 | 112 | C636 K715 | C636-C717 HydrophobicContact CB-CB 3.53Å; C636-C717 WeakPolarHBondContact CB-SG 3.09Å; C636-C717 WeakPolarHBondContact SG-CB 3.3Å; C636-C717 CovalentContact SG-SG 2.02Å; C636-C717 PolarHBondContact SG-SG 3.15Å; K715-C717 PolarHBondContact O-N 3.48Å | ||
| 718 | K | 73.6 | Confident | 74.3 | Confident | 218 Ų | 218 | 85.1 Ų | 85.1 | 95% | 0.948 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 131.5 | -177.7 | -66.8 | -176.9 | -179.5 | 179.1 | 0 | 110.9 | ||
| 719 | G | 67.1 | Low | 73.4 | Confident | 85 Ų | 85 | 87 Ų | 87 | 88% | 0.876 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.3 | -11.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 720 | K | 60.2 | Low | 72.7 | Confident | 77 Ų | 77 | 91.3 Ų | 91.3 | 34% | 0.335 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -93.2 | 123.4 | 165.2 | -67.5 | -165.3 | 172.2 | -171.3 | 0 | 108.2 | D576 D639 T722 | D576-K720 IonicContact OD1-NZ 2.93Å; D576-K720 PolarHBondContact OD1-NZ 3.18Å; D576-K720 IonicContact OD2-NZ 3.77Å; D576-K720 PolarHBondContact OD2-NZ 3.4Å; D639-K720 WeakPolarHBondContact OD1-CD 3.48Å; D639-K720 WeakPolarHBondContact OD1-CE 3.37Å; D639-K720 IonicContact OD1-NZ 3.99Å; D639-K720 PolarHBondContact OD1-NZ 2.86Å; K720-T722 PolarHBondContact O-N 3.28Å |
| 721 | R | 51.2 | Low | 72.2 | Confident | 230 Ų | 230 | 95.4 Ų | 95.4 | 87% | 0.868 | 52% | 0.515 | S | S | * | . | trans | -66.7 | 101.3 | 170.3 | -77.2 | -176.9 | 177.5 | 177.4 | -0.8 | 106.2 | H723 | R721-H723 PolarHBondContact O-N 2.83Å; R721-H723 VanDerWaalsContact O-N 3.14Å | ||
| 722 | T | 51.7 | Low | 71.9 | Confident | 65 Ų | 65 | 97.7 Ų | 97.7 | 40% | 0.399 | 53% | 0.526 | S | S | . | . | trans | -58.1 | 118.4 | 152 | 48.4 | 0 | 0 | 0 | 0 | 105 | A637 K720 A724 | A637-T722 HydrophobicContact CB-CG2 3.88Å; K720-T722 PolarHBondContact O-N 3.28Å; T722-A724 PolarHBondContact O-N 3.16Å | ||
| 723 | H | 45.4 | Very low | 71.7 | Confident | 184 Ų | 184 | 97.8 Ų | 97.8 | 85% | 0.852 | 53% | 0.527 | S | S | * | . | trans | -65.9 | 85.9 | 159.5 | -89.8 | -68.5 | 0 | 0 | 0 | 105.6 | R721 | R721-H723 PolarHBondContact O-N 2.83Å; R721-H723 VanDerWaalsContact O-N 3.14Å | ||
| 724 | A | 52 | Low | 71.5 | Confident | 66 Ų | 66 | 95.9 Ų | 95.9 | 55% | 0.545 | 52% | 0.519 | S | S | . | . | trans | -146.8 | 140.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | T722 | T722-A724 PolarHBondContact O-N 3.16Š| ||
| 725 | P | 46.1 | Very low | 71.5 | Confident | 118 Ų | 118 | 96.3 Ų | 96.3 | 77% | 0.766 | 52% | 0.52 | S | S | * | . | S | Bend | -120.6 | -177.8 | 54.8 | 27.4 | -9.2 | 0 | 0 | 0 | 111.3 | S727 | P725-S727 PolarHBondContact O-N 2.82Š| |
| 726 | H | 47.7 | Very low | 71.7 | Confident | 126 Ų | 126 | 95 Ų | 95 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | trans | -29.7 | 105.1 | 158.3 | -79 | -65 | 0 | 0 | 0 | 110.4 | D728 D858 | H726-D728 PolarHBondContact O-N 2.99Å; H726-D858 IonicContact CE1-OD1 2.8Å; H726-D858 IonicContact CE1-OD2 2.64Å; H726-D858 PolarHBondContact CE1-OD2 2.59Å; H726-D858 IonicContact ND1-OD2 3.79Å | ||
| 727 | S | 54.4 | Low | 72.1 | Confident | 94 Ų | 94 | 90 Ų | 90 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | trans | -59.7 | 131.2 | 152.5 | 49.6 | 0 | 0 | 0 | 0 | 104.7 | P725 P729 | P725-S727 PolarHBondContact O-N 2.82Å; S727-P729 VanDerWaalsContact O-N 3.15Å | ||
| 728 | D | 66.5 | Low | 72.7 | Confident | 146 Ų | 146 | 87.7 Ų | 87.7 | 78% | 0.781 | 47% | 0.466 | S | S | * | . | trans | -45.7 | 129.3 | 170.1 | -72 | -36.9 | 0 | 0 | 0 | 107.5 | H726 T730 | H726-D728 PolarHBondContact O-N 2.99Å; D728-T730 PolarHBondContact O-N 2.78Å | ||
| 729 | P | 79.9 | Confident | 73.9 | Confident | 40 Ų | 40 | 77.3 Ų | 77.3 | 26% | 0.26 | 42% | 0.421 | S | S | . | . | trans | -55.8 | 132.7 | -175.4 | 23.5 | -33.2 | 0 | 0 | 0 | 108 | S727 R731 I732 Q818 | S727-P729 VanDerWaalsContact O-N 3.15Å; P729-R731 PolarHBondContact O-N 3Å; P729-I732 HydrophobicContact CB-CG1 4.31Å; P729-I732 HydrophobicContact CG-CD1 4.1Å; P729-I732 HydrophobicContact CG-CG1 3.66Å; P729-Q818 HydrophobicContact CB-CB 3.54Å; P729-Q818 HydrophobicContact CG-CB 4Å | ||
| 730 | T | 81.7 | Confident | 75.3 | Confident | 108 Ų | 108 | 74.7 Ų | 74.7 | 66% | 0.663 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -54.8 | -32 | -179.4 | 55.7 | 0 | 0 | 0 | 0 | 111 | D728 G816 | D728-T730 PolarHBondContact O-N 2.78Å; T730-G816 PolarHBondContact N-O 2.83Å; T730-G816 VanDerWaalsContact OG1-C 3.26Å; T730-G816 PolarHBondContact OG1-O 2.75Å |
| 731 | R | 87.4 | Confident | 77.1 | Confident | 86 Ų | 86 | 73.9 Ų | 73.9 | 33% | 0.325 | 38% | 0.383 | S | S | . | . | trans | -155.8 | 147.1 | 172 | -176.5 | 175.6 | 179.2 | -179.2 | 2.1 | 109.7 | P729 V733 E817 Q818 G906 | P729-R731 PolarHBondContact O-N 3Å; R731-V733 HydrophobicContact CG-CG2 4.4Å; R731-E817 HydrophobicContact CB-CG 4.16Å; R731-E817 WeakPolarHBondContact CD-OE1 3.43Å; R731-E817 WeakPolarHBondContact O-CA 3.46Å; R731-Q818 PolarHBondContact O-N 2.87Å; R731-G906 PolarHBondContact NH2-O 3.46Å; R731-G906 VanDerWaalsContact NH2-O 3.15Å | ||
| 732 | I | 90.8 | Very high | 79.3 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 128.7 | 168.4 | -59.2 | 175.5 | 0 | 0 | 0 | 108.5 | P729 Q818 L820 | P729-I732 HydrophobicContact CB-CG1 4.31Å; P729-I732 HydrophobicContact CG-CD1 4.1Å; P729-I732 HydrophobicContact CG-CG1 3.66Å; I732-Q818 CarbonylContact C-O 3.59Å; I732-Q818 WeakPolarHBondContact CA-O 3.12Å; I732-Q818 HydrophobicContact CG1-CB 4.48Å; I732-L820 HydrophobicContact CG2-CB 3.9Å; I732-L820 HydrophobicContact CG2-CD2 4.32Å |
| 733 | V | 90.9 | Very high | 81.6 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 117.9 | -178 | -169.6 | 0 | 0 | 0 | 0 | 108.4 | R731 Y735 E817 Q818 I819 L820 L908 | R731-V733 HydrophobicContact CG-CG2 4.4Å; V733-Y735 HydrophobicContact CB-CE2 4.46Å; V733-Y735 HydrophobicContact CG1-CD2 4.26Å; V733-Y735 HydrophobicContact CG1-CE2 3.62Å; V733-E817 HydrophobicContact CG2-CB 4.49Å; V733-Q818 PolarHBondContact N-O 2.83Å; V733-I819 CarbonylContact O-C 3.58Å; V733-I819 WeakPolarHBondContact O-CA 3.45Å; V733-L820 PolarHBondContact O-N 2.97Å; V733-L908 HydrophobicContact CG1-CD2 3.87Å |
| 734 | K | 93.1 | Very high | 84.1 | Confident | 52 Ų | 52 | 59.5 Ų | 59.5 | 23% | 0.226 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.7 | -175.1 | -172.5 | 172.6 | -87.4 | -149.5 | 0 | 111.3 | Y736 L820 V822 E854 L908 | K734-Y736 HydrophobicContact CD-CE1 3.7Å; K734-Y736 HydrophobicContact CD-CE2 4.2Å; K734-Y736 VanDerWaalsContact CD-CZ 3.44Å; K734-Y736 WeakPolarHBondContact CD-OH 3.18Å; K734-Y736 HydrophobicContact CG-CE1 4.19Å; K734-Y736 HydrophobicContact CG-CE2 4.16Å; K734-L820 CarbonylContact C-O 3.5Å; K734-L820 VanDerWaalsContact CA-O 3.29Å; K734-L820 WeakPolarHBondContact CA-O 3.49Å; K734-L820 HydrophobicContact CB-CB 4.5Å; K734-L820 HydrophobicContact CD-CD2 4.39Å; K734-L820 HydrophobicContact CG-CD2 4.48Å; K734-L820 HydrophobicContact CG-CG 4.36Å; K734-V822 HydrophobicContact CD-CG2 3.79Å; K734-V822 HydrophobicContact CG-CG2 3.96Å; K734-E854 IonicContact NZ-OE1 3.75Å; K734-E854 PolarHBondContact NZ-OE1 3.29Å; K734-E854 VanDerWaalsContact NZ-OE1 3.08Å; K734-L908 WeakPolarHBondContact O-CD2 3.29Å |
| 735 | Y | 94.8 | Very high | 86.3 | Confident | 12 Ų | 12 | 57.4 Ų | 57.4 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 141.7 | 171.1 | -71.8 | -99.4 | 0 | 0 | 0 | 110 | V733 I811 H812 I819 L820 I821 V822 | V733-Y735 HydrophobicContact CB-CE2 4.46Å; V733-Y735 HydrophobicContact CG1-CD2 4.26Å; V733-Y735 HydrophobicContact CG1-CE2 3.62Å; Y735-I811 HydrophobicContact CD2-CG2 4.14Å; Y735-I811 HydrophobicContact CE1-CG2 4.37Å; Y735-I811 HydrophobicContact CE2-CG2 3.86Å; Y735-H812 PolarHBondContact OH-N 2.85Å; Y735-H812 VanDerWaalsContact OH-N 3.12Å; Y735-H812 PolarHBondContact OH-O 3.23Å; Y735-H812 VanDerWaalsContact OH-O 3.13Å; Y735-I819 HydrophobicContact CD2-CG2 3.82Å; Y735-I819 HydrophobicContact CE2-CG2 4.24Å; Y735-L820 PolarHBondContact N-O 3.3Å; Y735-I821 HydrophobicContact CD2-CD1 4.35Å; Y735-I821 HydrophobicContact CG-CD1 4.33Å; Y735-V822 PolarHBondContact O-N 2.97Å |
| 736 | Y | 96.9 | Very high | 88.8 | Confident | 38 Ų | 38 | 51.8 Ų | 51.8 | 15% | 0.149 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 108 | 176.2 | -54.9 | -86 | 0 | 0 | 0 | 108.6 | K734 E788 Y789 D791 E792 V822 | K734-Y736 HydrophobicContact CD-CE1 3.7Å; K734-Y736 HydrophobicContact CD-CE2 4.2Å; K734-Y736 VanDerWaalsContact CD-CZ 3.44Å; K734-Y736 WeakPolarHBondContact CD-OH 3.18Å; K734-Y736 HydrophobicContact CG-CE1 4.19Å; K734-Y736 HydrophobicContact CG-CE2 4.16Å; Y736-E788 CarbonylContact O-C 3.59Å; Y736-E788 WeakPolarHBondContact O-CA 3.25Å; Y736-Y789 PolarHBondContact O-N 2.75Å; Y736-D791 VanDerWaalsContact CG-C 3.49Å; Y736-E792 HydrophobicContact CD1-CB 4.17Å; Y736-E792 VanDerWaalsContact CD1-N 3.32Å; Y736-E792 HydrophobicContact CE1-CB 3.73Å; Y736-V822 HydrophobicContact CD1-CB 3.68Å; Y736-V822 HydrophobicContact CD1-CG1 4.07Å; Y736-V822 HydrophobicContact CD1-CG2 3.91Å; Y736-V822 HydrophobicContact CE1-CB 4.14Å; Y736-V822 HydrophobicContact CE1-CG1 4.47Å; Y736-V822 HydrophobicContact CE1-CG2 3.86Å |
| 737 | I | 97.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 141.5 | -172.8 | -59.5 | 178.8 | 0 | 0 | 0 | 109.4 | Y786 R787 F794 P809 I811 I821 V822 F823 K824 I833 | I737-Y786 HydrophobicContact CG2-CD1 3.91Å; I737-Y786 HydrophobicContact CG2-CG 4.31Å; I737-R787 CarbonylContact C-O 3.45Å; I737-R787 VanDerWaalsContact CA-O 3.31Å; I737-R787 WeakPolarHBondContact CA-O 3.26Å; I737-F794 WeakPolarHBondContact O-CE1 3.34Å; I737-P809 HydrophobicContact CD1-CG 4.25Å; I737-P809 HydrophobicContact CG1-CG 4.44Å; I737-I811 HydrophobicContact CD1-CD1 3.45Å; I737-I811 VanDerWaalsContact CD1-CD1 3.45Å; I737-I811 HydrophobicContact CD1-CG1 4.09Å; I737-I821 HydrophobicContact CD1-CD1 4.19Å; I737-I821 HydrophobicContact CD1-CG2 4.41Å; I737-V822 PolarHBondContact N-O 3.49Å; I737-F823 HydrophobicContact CB-CD2 4.48Å; I737-F823 HydrophobicContact CG2-CD2 4.29Å; I737-F823 CarbonylContact O-C 3.54Å; I737-F823 VanDerWaalsContact O-CA 3.23Å; I737-F823 WeakPolarHBondContact O-CA 3.49Å; I737-F823 WeakPolarHBondContact O-CD2 3.24Å; I737-K824 PolarHBondContact O-N 3.45Å; I737-I833 HydrophobicContact CD1-CD1 4.07Å; I737-I833 HydrophobicContact CG2-CD1 4.08Å |
| 738 | S | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 153 | 170.6 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | E740 Y786 R787 Y789 K824 | S738-E740 WeakPolarHBondContact CB-OE1 3.11Å; S738-E740 VanDerWaalsContact OG-CD 3.23Å; S738-E740 VanDerWaalsContact OG-CG 3.31Å; S738-E740 WeakPolarHBondContact OG-CG 3.29Å; S738-E740 PolarHBondContact OG-OE1 3.38Å; S738-Y786 CarbonylContact O-C 3.52Å; S738-Y786 VanDerWaalsContact O-CA 3.24Å; S738-Y786 WeakPolarHBondContact O-CA 3.43Å; S738-R787 PolarHBondContact N-O 3.39Å; S738-R787 PolarHBondContact O-N 2.95Å; S738-R787 PolarHBondContact OG-O 2.88Å; S738-Y789 WeakPolarHBondContact OG-CE2 3.42Å; S738-K824 WeakPolarHBondContact CA-O 3.17Å; S738-K824 WeakPolarHBondContact CB-O 3.48Å |
| 739 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | V784 Y786 F823 K824 K826 A827 Y831 L891 | A739-V784 HydrophobicContact CB-CG2 4.14Å; A739-Y786 HydrophobicContact CB-CD1 4.37Å; A739-Y786 HydrophobicContact CB-CE1 4.35Å; A739-F823 HydrophobicContact CB-CE2 3.93Å; A739-F823 HydrophobicContact CB-CZ 3.7Å; A739-K824 PolarHBondContact N-O 3Å; A739-K824 VanDerWaalsContact N-O 3.16Å; A739-K826 WeakPolarHBondContact O-CA 3.37Å; A739-K826 WeakPolarHBondContact O-CB 3.22Å; A739-K826 PolarHBondContact O-N 3.49Å; A739-A827 PolarHBondContact O-N 3.16Å; A739-Y831 HydrophobicContact CB-CD2 4.28Å; A739-L891 HydrophobicContact CB-CD2 4.1Å |
| 740 | E | 97.2 | Very high | 95.4 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 138.1 | -173.9 | -43.1 | -165.2 | 164.5 | 0 | 0 | 110.9 | S738 V784 A785 R787 Y789 K826 | S738-E740 WeakPolarHBondContact CB-OE1 3.11Å; S738-E740 VanDerWaalsContact OG-CD 3.23Å; S738-E740 VanDerWaalsContact OG-CG 3.31Å; S738-E740 WeakPolarHBondContact OG-CG 3.29Å; S738-E740 PolarHBondContact OG-OE1 3.38Å; E740-V784 CarbonylContact O-C 3.5Å; E740-V784 WeakPolarHBondContact O-CA 3.35Å; E740-V784 WeakPolarHBondContact O-CG2 3.38Å; E740-A785 PolarHBondContact N-O 3.21Å; E740-A785 PolarHBondContact O-N 2.94Å; E740-R787 HydrophobicContact CG-CG 4.43Å; E740-Y789 VanDerWaalsContact CD-OH 3.24Å; E740-Y789 WeakPolarHBondContact OE1-CE2 3.38Å; E740-Y789 PolarHBondContact OE1-OH 2.93Å; E740-Y789 PolarHBondContact OE2-OH 3.41Å; E740-Y789 VanDerWaalsContact OE2-OH 3.05Å; E740-K826 HydrophobicContact CG-CB 4.22Å; E740-K826 HydrophobicContact CG-CD 4.16Å; E740-K826 VanDerWaalsContact OE1-CD 3.24Å; E740-K826 WeakPolarHBondContact OE1-CD 3.4Å; E740-K826 VanDerWaalsContact OE1-CE 3.29Å; E740-K826 WeakPolarHBondContact OE1-CE 3.21Å; E740-K826 IonicContact OE1-NZ 3.6Å; E740-K826 PolarHBondContact OE1-NZ 2.94Å |
| 741 | E | 98.4 | Very high | 96.1 | Very high | 61 Ų | 61 | 41 Ų | 41 | 29% | 0.285 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 135.1 | 175.4 | -68.8 | 177.8 | -176.7 | 0 | 0 | 110.5 | K782 K783 A827 S828 Y934 | E741-K782 WeakPolarHBondContact OE2-CE 3.41Å; E741-K782 IonicContact OE2-NZ 3.58Å; E741-K782 PolarHBondContact OE2-NZ 2.89Å; E741-K782 VanDerWaalsContact OE2-NZ 3.17Å; E741-K783 CarbonylContact C-O 3.54Å; E741-K783 VanDerWaalsContact CA-O 3.24Å; E741-K783 WeakPolarHBondContact CA-O 3.4Å; E741-A827 HydrophobicContact CG-CB 3.92Å; E741-S828 VanDerWaalsContact OE1-CB 3.25Å; E741-S828 WeakPolarHBondContact OE1-CB 3.13Å; E741-S828 PolarHBondContact OE1-N 2.98Å; E741-S828 PolarHBondContact OE1-OG 3.13Å; E741-Y934 HydrophobicContact CG-CE1 4.08Å; E741-Y934 VanDerWaalsContact CG-OH 3.28Å; E741-Y934 WeakPolarHBondContact CG-OH 3.13Å; E741-Y934 VanDerWaalsContact OE1-CE1 3.25Å; E741-Y934 WeakPolarHBondContact OE1-CE1 3.42Å; E741-Y934 PolarHBondContact OE1-OH 2.86Å |
| 742 | I | 97.4 | Very high | 96.5 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 19% | 0.19 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 154 | -177.3 | 64.9 | 177.6 | 0 | 0 | 0 | 110.1 | W744 K782 K783 A785 | I742-W744 HydrophobicContact CD1-CE3 3.74Å; I742-W744 HydrophobicContact CD1-CZ3 4.38Å; I742-K782 WeakPolarHBondContact O-CA 2.95Å; I742-K783 HydrophobicContact CG1-CB 4.28Å; I742-K783 PolarHBondContact N-O 3.27Å; I742-K783 PolarHBondContact O-N 2.82Å; I742-A785 HydrophobicContact CD1-CB 3.89Å |
| 743 | E | 98.3 | Very high | 96.8 | Very high | 126 Ų | 126 | 33 Ų | 33 | 59% | 0.589 | 16% | 0.164 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 125.8 | 157.6 | -177.4 | 174.1 | -113.7 | 0 | 0 | 107.8 | Y942 | E743-Y942 WeakPolarHBondContact CG-OH 3.39Å; E743-Y942 PolarHBondContact OE1-OH 3.13Å |
| 744 | W | 98.4 | Very high | 97 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 5% | 0.053 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 136.3 | 179.1 | -169.6 | -106.9 | 0 | 0 | 0 | 109.6 | I742 Y746 R780 Y781 K783 S805 I806 G967 R968 | I742-W744 HydrophobicContact CD1-CE3 3.74Å; I742-W744 HydrophobicContact CD1-CZ3 4.38Å; W744-Y746 AromaticContact CD1-CD1 3.99Å; W744-Y746 AromaticContact CD1-CE1 3.91Å; W744-Y746 AromaticContact CD1-CE2 3.94Å; W744-Y746 AromaticContact CD1-CZ 3.9Å; W744-Y746 AromaticContact NE1-CD1 3.8Å; W744-Y746 AromaticContact NE1-CE1 3.89Å; W744-R780 CarbonylContact O-C 3.53Å; W744-R780 VanDerWaalsContact O-CA 3.31Å; W744-R780 WeakPolarHBondContact O-CA 3.44Å; W744-Y781 PolarHBondContact N-O 2.93Å; W744-Y781 PolarHBondContact O-N 3.11Å; W744-K783 HydrophobicContact CB-CB 4.15Å; W744-K783 HydrophobicContact CB-CD 3.54Å; W744-K783 HydrophobicContact CB-CG 3.8Å; W744-K783 HydrophobicContact CG-CD 3.7Å; W744-K783 HydrophobicContact CG-CG 4.49Å; W744-S805 WeakPolarHBondContact CH2-O 3.39Å; W744-S805 WeakPolarHBondContact CH2-OG 3.49Å; W744-S805 WeakPolarHBondContact CZ2-OG 3.3Å; W744-I806 HydrophobicContact CD2-CB 4.34Å; W744-I806 HydrophobicContact CD2-CD1 4.15Å; W744-I806 HydrophobicContact CD2-CG1 4.29Å; W744-I806 HydrophobicContact CE3-CB 4.47Å; W744-I806 HydrophobicContact CE3-CG1 4.39Å; W744-I806 HydrophobicContact CG-CD1 4.26Å; W744-I806 HydrophobicContact CH2-CB 3.84Å; W744-I806 VanDerWaalsContact CH2-N 3.3Å; W744-I806 HydrophobicContact CZ2-CB 3.67Å; W744-I806 HydrophobicContact CZ2-CG1 4.49Å; W744-I806 HydrophobicContact CZ3-CB 4.23Å; W744-G967 WeakPolarHBondContact CZ2-O 3.04Å; W744-G967 PolarHBondContact NE1-O 2.74Å; W744-R968 VanDerWaalsContact CH2-CZ 3.5Å; W744-R968 HydrophobicContact CZ2-CG 4.38Å |
| 745 | D | 98.5 | Very high | 97.1 | Very high | 22 Ų | 22 | 38 Ų | 38 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 109.2 | 176.5 | -168.9 | -23.3 | 0 | 0 | 0 | 108.1 | S747 P748 S779 R780 R968 | D745-S747 VanDerWaalsContact C-N 3.26Å; D745-S747 PolarHBondContact O-N 2.72Å; D745-S747 PolarHBondContact OD1-N 3.09Å; D745-P748 HydrophobicContact CB-CG 4.13Å; D745-P748 WeakPolarHBondContact O-CD 3.44Å; D745-S779 CarbonylContact C-O 3.58Å; D745-S779 VanDerWaalsContact CA-O 3.32Å; D745-S779 WeakPolarHBondContact CA-O 3.41Å; D745-S779 VanDerWaalsContact OD1-CB 3.26Å; D745-S779 WeakPolarHBondContact OD1-CB 3.17Å; D745-S779 PolarHBondContact OD1-OG 2.85Å; D745-R780 HydrophobicContact CB-CG 3.92Å; D745-R780 WeakPolarHBondContact OD2-CG 3.22Å; D745-R780 IonicContact OD2-CZ 3.52Å; D745-R780 IonicContact OD2-NE 3.62Å; D745-R780 PolarHBondContact OD2-NE 2.92Å; D745-R780 IonicContact OD2-NH2 2.82Å; D745-R968 PolarHBondContact O-NH1 3.46Å |
| 746 | Y | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -64 | -32.5 | -177.6 | -75.9 | -79.8 | 0 | 0 | 0 | 112.8 | W744 S779 Y781 K783 Y927 E929 M962 G967 R968 L969 | W744-Y746 AromaticContact CD1-CD1 3.99Å; W744-Y746 AromaticContact CD1-CE1 3.91Å; W744-Y746 AromaticContact CD1-CE2 3.94Å; W744-Y746 AromaticContact CD1-CZ 3.9Å; W744-Y746 AromaticContact NE1-CD1 3.8Å; W744-Y746 AromaticContact NE1-CE1 3.89Å; Y746-S779 WeakPolarHBondContact CD2-O 3.4Å; Y746-S779 PolarHBondContact N-O 2.77Å; Y746-Y781 AromaticContact CD2-CD2 3.58Å; Y746-Y781 HydrophobicContact CD2-CD2 3.58Å; Y746-Y781 AromaticContact CD2-CE2 3.94Å; Y746-Y781 HydrophobicContact CD2-CE2 3.94Å; Y746-Y781 AromaticContact CE2-CD2 3.41Å; Y746-Y781 HydrophobicContact CE2-CD2 3.41Å; Y746-Y781 VanDerWaalsContact CE2-CD2 3.41Å; Y746-Y781 AromaticContact CE2-CE2 3.95Å; Y746-Y781 HydrophobicContact CE2-CE2 3.95Å; Y746-Y781 HydrophobicContact CE2-CG 4.03Å; Y746-K783 HydrophobicContact CE2-CD 4.4Å; Y746-K783 WeakPolarHBondContact OH-CE 3.27Å; Y746-K783 PolarHBondContact OH-NZ 2.83Å; Y746-Y927 HydrophobicContact CE1-CD2 4.01Å; Y746-Y927 HydrophobicContact CE1-CG 4Å; Y746-Y927 WeakPolarHBondContact OH-CB 3.33Å; Y746-E929 HydrophobicContact CE2-CG 4.32Å; Y746-E929 WeakPolarHBondContact CE2-OE1 3.14Å; Y746-E929 PolarHBondContact OH-OE1 2.62Å; Y746-M962 HydrophobicContact CD1-CB 3.81Å; Y746-M962 HydrophobicContact CD1-CE 4.47Å; Y746-M962 HydrophobicContact CD1-CG 4.36Å; Y746-M962 HydrophobicContact CD2-CB 4.26Å; Y746-M962 HydrophobicContact CD2-CE 3.69Å; Y746-M962 HydrophobicContact CD2-CG 3.9Å; Y746-M962 HydrophobicContact CE1-CB 3.66Å; Y746-M962 HydrophobicContact CE1-CG 4.2Å; Y746-M962 HydrophobicContact CE2-CB 4.13Å; Y746-M962 HydrophobicContact CE2-CE 4.46Å; Y746-M962 HydrophobicContact CE2-CG 3.71Å; Y746-M962 HydrophobicContact CG-CB 4.11Å; Y746-M962 HydrophobicContact CG-CE 3.7Å; Y746-M962 HydrophobicContact CG-CG 4.22Å; Y746-G967 VanDerWaalsContact CD1-O 3.28Å; Y746-G967 WeakPolarHBondContact CD1-O 3.31Å; Y746-R968 WeakPolarHBondContact O-CA 3.42Å; Y746-L969 HydrophobicContact CD1-CD1 3.88Å; Y746-L969 HydrophobicContact CG-CD1 4.37Å; Y746-L969 PolarHBondContact O-N 3.06Å |
| 747 | S | 98.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 39 Ų | 39 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | trans | -140.6 | 78.8 | -178.7 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | D745 T749 N972 | D745-S747 VanDerWaalsContact C-N 3.26Å; D745-S747 PolarHBondContact O-N 2.72Å; D745-S747 PolarHBondContact OD1-N 3.09Å; S747-T749 PolarHBondContact O-N 3.23Å; S747-T749 VanDerWaalsContact O-N 3.14Å; S747-T749 PolarHBondContact OG-O 3Å; S747-N972 PolarHBondContact OG-ND2 3.5Å; S747-N972 VanDerWaalsContact OG-ND2 3.08Å | ||
| 748 | P | 97.4 | Very high | 96.4 | Very high | 62 Ų | 62 | 46.1 Ų | 46.1 | 40% | 0.403 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -59.9 | -25.3 | -179.1 | -23.9 | 33.3 | 0 | 0 | 0 | 114.1 | D745 | D745-P748 HydrophobicContact CB-CG 4.13Å; D745-P748 WeakPolarHBondContact O-CD 3.44Å |
| 749 | T | 96.3 | Very high | 96.2 | Very high | 58 Ų | 58 | 47.8 Ų | 47.8 | 36% | 0.356 | 24% | 0.243 | S | C | . | . | trans | -137.1 | 140.6 | 175.4 | 62.2 | 0 | 0 | 0 | 0 | 109.8 | S747 N972 | S747-T749 PolarHBondContact O-N 3.23Å; S747-T749 VanDerWaalsContact O-N 3.14Å; S747-T749 PolarHBondContact OG-O 3Å; T749-N972 PolarHBondContact N-OD1 3Å; T749-N972 PolarHBondContact O-ND2 2.88Å; T749-N972 PolarHBondContact O-OD1 3.3Å; T749-N972 PolarHBondContact OG1-OD1 2.88Å; T749-N972 VanDerWaalsContact OG1-OD1 3.06Å | ||
| 750 | R | 96.3 | Very high | 96 | Very high | 44 Ų | 44 | 50.6 Ų | 50.6 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | trans | -99.5 | 4.8 | 175 | -62.3 | -174 | 70.3 | -173.7 | -1.2 | 113.3 | W752 E753 L754 P761 V770 | R750-W752 VanDerWaalsContact C-N 3.33Å; R750-W752 PolarHBondContact O-N 3.31Å; R750-E753 WeakPolarHBondContact CG-OE2 3.09Å; R750-E753 IonicContact CZ-OE1 3.6Å; R750-E753 IonicContact CZ-OE2 2.77Å; R750-E753 IonicContact NE-OE1 2.97Å; R750-E753 PolarHBondContact NE-OE1 3.35Å; R750-E753 IonicContact NE-OE2 3.56Å; R750-E753 PolarHBondContact NE-OE2 3.13Å; R750-E753 IonicContact NH2-OE1 2.57Å; R750-E753 PolarHBondContact NH2-OE1 3.32Å; R750-E753 IonicContact NH2-OE2 2.77Å; R750-E753 WeakPolarHBondContact O-CB 3.31Å; R750-E753 PolarHBondContact O-N 3.16Å; R750-L754 HydrophobicContact CB-CD1 4.15Å; R750-L754 HydrophobicContact CB-CG 4.26Å; R750-L754 VanDerWaalsContact O-CG 3.24Å; R750-L754 WeakPolarHBondContact O-CG 3.3Å; R750-L754 PolarHBondContact O-N 2.75Å; R750-P761 PolarHBondContact NH1-O 3.28Å; R750-P761 PolarHBondContact NH2-O 3.14Å; R750-P761 VanDerWaalsContact NH2-O 3.09Å; R750-V770 HydrophobicContact CG-CG2 4.31Å; R750-V770 VanDerWaalsContact NE-CG2 3.34Å | ||
| 751 | D | 95.6 | Very high | 95.8 | Very high | 117 Ų | 117 | 51.5 Ų | 51.5 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.4 | -43.3 | -174.8 | -61.9 | -13.9 | 0 | 0 | 0 | 112.5 | E755 | D751-E755 VanDerWaalsContact O-CB 3.27Å; D751-E755 WeakPolarHBondContact O-CB 3.49Å; D751-E755 PolarHBondContact O-N 3.42Å |
| 752 | W | 96.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 55 Ų | 55 | 6% | 0.057 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.2 | -42.7 | -179.6 | -170 | 97.7 | 0 | 0 | 0 | 111.7 | P144 R750 K756 Y970 L1041 E1055 T1057 | P144-W752 HydrophobicContact CB-CG 4.19Å; P144-W752 HydrophobicContact CG-CD2 4.04Å; P144-W752 HydrophobicContact CG-CG 3.97Å; P144-W752 WeakPolarHBondContact CG-O 3.2Å; P144-W752 PolarHBondContact O-NE1 3.02Å; R750-W752 VanDerWaalsContact C-N 3.33Å; R750-W752 PolarHBondContact O-N 3.31Å; W752-K756 HydrophobicContact CE3-CB 4.38Å; W752-K756 HydrophobicContact CH2-CD 3.65Å; W752-K756 HydrophobicContact CH2-CG 4.46Å; W752-K756 HydrophobicContact CZ3-CB 4.13Å; W752-K756 HydrophobicContact CZ3-CD 3.55Å; W752-K756 HydrophobicContact CZ3-CG 4.38Å; W752-K756 WeakPolarHBondContact O-CB 3.47Å; W752-K756 PolarHBondContact O-N 3.12Å; W752-Y970 VanDerWaalsContact CE3-O 3.31Å; W752-L1041 HydrophobicContact CH2-CD1 4.04Å; W752-L1041 HydrophobicContact CZ2-CD1 3.88Å; W752-E1055 HydrophobicContact CH2-CG 3.71Å; W752-E1055 WeakPolarHBondContact CH2-OE2 3.37Å; W752-E1055 VanDerWaalsContact CZ3-CD 3.41Å; W752-E1055 HydrophobicContact CZ3-CG 3.74Å; W752-E1055 WeakPolarHBondContact CZ3-OE1 3.45Å; W752-T1057 HydrophobicContact CZ2-CG2 4.38Å |
| 753 | E | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.6 | -54.1 | 174.7 | -177.9 | -164.1 | 158 | 0 | 0 | 111.3 | R750 E755 K756 H757 S764 G766 Y970 | R750-E753 WeakPolarHBondContact CG-OE2 3.09Å; R750-E753 IonicContact CZ-OE1 3.6Å; R750-E753 IonicContact CZ-OE2 2.77Å; R750-E753 IonicContact NE-OE1 2.97Å; R750-E753 PolarHBondContact NE-OE1 3.35Å; R750-E753 IonicContact NE-OE2 3.56Å; R750-E753 PolarHBondContact NE-OE2 3.13Å; R750-E753 IonicContact NH2-OE1 2.57Å; R750-E753 PolarHBondContact NH2-OE1 3.32Å; R750-E753 IonicContact NH2-OE2 2.77Å; R750-E753 WeakPolarHBondContact O-CB 3.31Å; R750-E753 PolarHBondContact O-N 3.16Å; E753-E755 VanDerWaalsContact C-N 3.33Å; E753-E755 PolarHBondContact O-N 2.66Å; E753-K756 PolarHBondContact O-N 3.17Å; E753-H757 PolarHBondContact O-CD2 2.54Å; E753-H757 VanDerWaalsContact O-CD2 3.26Å; E753-H757 PolarHBondContact O-N 2.78Å; E753-S764 VanDerWaalsContact OE1-CB 3.27Å; E753-S764 WeakPolarHBondContact OE1-CB 3.38Å; E753-S764 PolarHBondContact OE1-OG 3.21Å; E753-G766 WeakPolarHBondContact OE1-CA 3.26Å; E753-Y970 HydrophobicContact CB-CD1 4.13Å; E753-Y970 HydrophobicContact CB-CG 3.91Å; E753-Y970 HydrophobicContact CG-CD1 3.73Å; E753-Y970 HydrophobicContact CG-CD2 4.34Å; E753-Y970 HydrophobicContact CG-CE1 4.12Å; E753-Y970 HydrophobicContact CG-CG 3.86Å |
| 754 | L | 96.3 | Very high | 94.9 | Very high | 37 Ų | 37 | 54.3 Ų | 54.3 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.5 | -33.9 | -175.1 | -60.8 | 174.7 | 0 | 0 | 0 | 112.1 | R750 N758 T759 P761 | R750-L754 HydrophobicContact CB-CD1 4.15Å; R750-L754 HydrophobicContact CB-CG 4.26Å; R750-L754 VanDerWaalsContact O-CG 3.24Å; R750-L754 WeakPolarHBondContact O-CG 3.3Å; R750-L754 PolarHBondContact O-N 2.75Å; L754-N758 VanDerWaalsContact O-CA 3.28Å; L754-N758 WeakPolarHBondContact O-CA 3.26Å; L754-N758 PolarHBondContact O-N 3.07Å; L754-T759 HydrophobicContact CD2-CG2 4.38Å; L754-T759 PolarHBondContact O-N 3.27Å; L754-P761 HydrophobicContact CD1-CG 3.9Å; L754-P761 HydrophobicContact CD2-CG 4.32Å |
| 755 | E | 94.4 | Very high | 94.5 | Very high | 122 Ų | 122 | 56.2 Ų | 56.2 | 57% | 0.57 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -67.7 | -44.1 | 172.5 | -173.4 | -176.3 | 157.9 | 0 | 0 | 111.5 | P144 D751 E753 N758 | P144-E755 HydrophobicContact CB-CB 4.5Å; P144-E755 HydrophobicContact CB-CG 4.22Å; P144-E755 HydrophobicContact CG-CB 3.82Å; P144-E755 HydrophobicContact CG-CG 3.84Å; D751-E755 VanDerWaalsContact O-CB 3.27Å; D751-E755 WeakPolarHBondContact O-CB 3.49Å; D751-E755 PolarHBondContact O-N 3.42Å; E753-E755 VanDerWaalsContact C-N 3.33Å; E753-E755 PolarHBondContact O-N 2.66Å; E755-N758 PolarHBondContact O-N 2.83Å |
| 756 | K | 92.9 | Very high | 94.3 | Very high | 30 Ų | 30 | 55.1 Ų | 55.1 | 13% | 0.13 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -52.5 | 178 | 178.9 | -173 | 163.2 | -172.6 | 0 | 111.3 | P144 W752 E753 N758 E1055 | P144-K756 HydrophobicContact CG-CB 4.19Å; W752-K756 HydrophobicContact CE3-CB 4.38Å; W752-K756 HydrophobicContact CH2-CD 3.65Å; W752-K756 HydrophobicContact CH2-CG 4.46Å; W752-K756 HydrophobicContact CZ3-CB 4.13Å; W752-K756 HydrophobicContact CZ3-CD 3.55Å; W752-K756 HydrophobicContact CZ3-CG 4.38Å; W752-K756 WeakPolarHBondContact O-CB 3.47Å; W752-K756 PolarHBondContact O-N 3.12Å; E753-K756 PolarHBondContact O-N 3.17Å; K756-N758 VanDerWaalsContact C-N 3.26Å; K756-N758 PolarHBondContact O-N 3Å; K756-E1055 VanDerWaalsContact CD-OE1 3.25Å; K756-E1055 WeakPolarHBondContact CD-OE1 3.46Å; K756-E1055 WeakPolarHBondContact CE-OE1 3.38Å; K756-E1055 IonicContact NZ-OE1 2.75Å; K756-E1055 PolarHBondContact NZ-OE1 3.15Å; K756-E1055 IonicContact NZ-OE2 3.22Å; K756-E1055 PolarHBondContact NZ-OE2 2.84Å |
| 757 | H | 91.1 | Very high | 94.1 | Very high | 41 Ų | 41 | 56.9 Ų | 56.9 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -81.7 | -6.8 | -176.5 | -65.9 | -70.1 | 0 | 0 | 0 | 113.1 | E753 T759 | E753-H757 PolarHBondContact O-CD2 2.54Å; E753-H757 VanDerWaalsContact O-CD2 3.26Å; E753-H757 PolarHBondContact O-N 2.78Å; H757-T759 VanDerWaalsContact C-N 3.25Å; H757-T759 HydrophobicContact CB-CG2 3.54Å; H757-T759 PolarHBondContact O-N 2.87Å |
| 758 | N | 90.8 | Very high | 94 | Very high | 149 Ų | 149 | 58.6 Ų | 58.6 | 80% | 0.797 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 49 | -176.6 | -175.1 | 48.3 | 0 | 0 | 0 | 112.2 | L754 E755 K756 | L754-N758 VanDerWaalsContact O-CA 3.28Å; L754-N758 WeakPolarHBondContact O-CA 3.26Å; L754-N758 PolarHBondContact O-N 3.07Å; E755-N758 PolarHBondContact O-N 2.83Å; K756-N758 VanDerWaalsContact C-N 3.26Å; K756-N758 PolarHBondContact O-N 3Å |
| 759 | T | 93.4 | Very high | 94 | Very high | 35 Ų | 35 | 56 Ų | 56 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -138.1 | 173.5 | -171 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | L754 H757 E763 | L754-T759 HydrophobicContact CD2-CG2 4.38Å; L754-T759 PolarHBondContact O-N 3.27Å; H757-T759 VanDerWaalsContact C-N 3.25Å; H757-T759 HydrophobicContact CB-CG2 3.54Å; H757-T759 PolarHBondContact O-N 2.87Å; T759-E763 VanDerWaalsContact OG1-CB 3.26Å; T759-E763 WeakPolarHBondContact OG1-CB 3.37Å |
| 760 | N | 93.9 | Very high | 94 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | trans | -92.8 | 165.2 | 172.4 | 62.1 | 61.5 | 0 | 0 | 0 | 111.3 | E762 E763 S764 | N760-E762 PolarHBondContact O-N 3.29Å; N760-E762 VanDerWaalsContact O-N 3.15Å; N760-E762 PolarHBondContact OD1-N 3.25Å; N760-E762 PolarHBondContact OD1-OE2 3.43Å; N760-E763 PolarHBondContact ND2-OE2 2.94Å; N760-E763 PolarHBondContact O-N 2.87Å; N760-E763 WeakPolarHBondContact OD1-CB 3.44Å; N760-E763 PolarHBondContact OD1-N 3.34Å; N760-S764 PolarHBondContact O-N 3.49Å; N760-S764 VanDerWaalsContact O-N 3.1Å | ||
| 761 | P | 93.2 | Very high | 93.9 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 31% | 0.305 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -32.4 | -177.8 | -29.2 | 36.6 | 0 | 0 | 0 | 115.7 | R750 L754 N767 | R750-P761 PolarHBondContact NH1-O 3.28Å; R750-P761 PolarHBondContact NH2-O 3.14Å; R750-P761 VanDerWaalsContact NH2-O 3.09Å; L754-P761 HydrophobicContact CD1-CG 3.9Å; L754-P761 HydrophobicContact CD2-CG 4.32Å; P761-N767 VanDerWaalsContact O-CB 3.26Å; P761-N767 WeakPolarHBondContact O-CB 3.08Å; P761-N767 PolarHBondContact O-OD1 2.87Å |
| 762 | E | 91.4 | Very high | 93.7 | Very high | 134 Ų | 134 | 52.5 Ų | 52.5 | 63% | 0.626 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -34.8 | -174.9 | -62.5 | 77.6 | -173.1 | 0 | 0 | 113 | N760 N767 | N760-E762 PolarHBondContact O-N 3.29Å; N760-E762 VanDerWaalsContact O-N 3.15Å; N760-E762 PolarHBondContact OD1-N 3.25Å; N760-E762 PolarHBondContact OD1-OE2 3.43Å; E762-N767 PolarHBondContact O-ND2 2.81Å |
| 763 | E | 91.1 | Very high | 93.4 | Very high | 144 Ų | 144 | 53 Ų | 53 | 67% | 0.673 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -4.5 | 179.8 | -70.9 | 173.1 | 178.4 | 0 | 0 | 113.2 | T759 N760 | T759-E763 VanDerWaalsContact OG1-CB 3.26Å; T759-E763 WeakPolarHBondContact OG1-CB 3.37Å; N760-E763 PolarHBondContact ND2-OE2 2.94Å; N760-E763 PolarHBondContact O-N 2.87Å; N760-E763 WeakPolarHBondContact OD1-CB 3.44Å; N760-E763 PolarHBondContact OD1-N 3.34Å |
| 764 | S | 92.7 | Very high | 93 | Very high | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -69.8 | 139.3 | 176.4 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | E753 N760 G766 N767 | E753-S764 VanDerWaalsContact OE1-CB 3.27Å; E753-S764 WeakPolarHBondContact OE1-CB 3.38Å; E753-S764 PolarHBondContact OE1-OG 3.21Å; N760-S764 PolarHBondContact O-N 3.49Å; N760-S764 VanDerWaalsContact O-N 3.1Å; S764-G766 PolarHBondContact O-N 3.15Å; S764-G766 VanDerWaalsContact O-N 3.13Å; S764-G766 PolarHBondContact OG-N 2.73Å; S764-N767 VanDerWaalsContact O-CB 3.26Å; S764-N767 WeakPolarHBondContact O-CB 3.04Å; S764-N767 PolarHBondContact O-N 2.79Å |
| 765 | P | 91.4 | Very high | 92.6 | Very high | 53 Ų | 53 | 61.7 Ų | 61.7 | 34% | 0.344 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.3 | 170.8 | 23.9 | -33.5 | 0 | 0 | 0 | 111.6 | N767 H1051 | P765-N767 PolarHBondContact O-N 3.41Å; P765-N767 VanDerWaalsContact O-N 3.16Å; P765-H1051 HydrophobicContact CB-CB 4.49Å |
| 766 | G | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | E753 S764 I768 F769 V770 Y970 | E753-G766 WeakPolarHBondContact OE1-CA 3.26Å; S764-G766 PolarHBondContact O-N 3.15Å; S764-G766 VanDerWaalsContact O-N 3.13Å; S764-G766 PolarHBondContact OG-N 2.73Å; G766-I768 VanDerWaalsContact C-N 3.3Å; G766-I768 PolarHBondContact O-N 2.87Å; G766-F769 PolarHBondContact O-N 3.1Å; G766-V770 WeakPolarHBondContact O-CG2 3.31Å; G766-V770 PolarHBondContact O-N 3.28Å; G766-Y970 WeakPolarHBondContact CA-OH 3.36Å |
| 767 | N | 95.3 | Very high | 92.9 | Very high | 36 Ų | 36 | 57 Ų | 57 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -32.9 | -176.4 | -168.6 | 40.8 | 0 | 0 | 0 | 113.5 | P761 E762 S764 P765 F769 G771 | P761-N767 VanDerWaalsContact O-CB 3.26Å; P761-N767 WeakPolarHBondContact O-CB 3.08Å; P761-N767 PolarHBondContact O-OD1 2.87Å; E762-N767 PolarHBondContact O-ND2 2.81Å; S764-N767 VanDerWaalsContact O-CB 3.26Å; S764-N767 WeakPolarHBondContact O-CB 3.04Å; S764-N767 PolarHBondContact O-N 2.79Å; P765-N767 PolarHBondContact O-N 3.41Å; P765-N767 VanDerWaalsContact O-N 3.16Å; N767-F769 VanDerWaalsContact C-N 3.3Å; N767-F769 PolarHBondContact O-N 2.8Å; N767-G771 WeakPolarHBondContact O-CA 3.25Å; N767-G771 PolarHBondContact O-N 2.9Å |
| 768 | I | 95.3 | Very high | 93.2 | Very high | 41 Ų | 41 | 55.1 Ų | 55.1 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 176.7 | -175.7 | 56.7 | 0 | 0 | 0 | 111.2 | G766 R776 E958 S959 | G766-I768 VanDerWaalsContact C-N 3.3Å; G766-I768 PolarHBondContact O-N 2.87Å; I768-R776 WeakPolarHBondContact O-CD 3.05Å; I768-E958 HydrophobicContact CG1-CG 4.03Å; I768-S959 WeakPolarHBondContact O-CA 3.48Å; I768-S959 WeakPolarHBondContact O-CB 3.32Å |
| 769 | F | 96.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.035 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -89.6 | -45.4 | -176.1 | -48.8 | -70.7 | 0 | 0 | 0 | 114.2 | G766 N767 E958 L961 M962 H963 Y970 S1052 | G766-F769 PolarHBondContact O-N 3.1Å; N767-F769 VanDerWaalsContact C-N 3.3Å; N767-F769 PolarHBondContact O-N 2.8Å; F769-E958 HydrophobicContact CE1-CG 4.27Å; F769-E958 VanDerWaalsContact CE1-OE1 3.23Å; F769-E958 WeakPolarHBondContact CE1-OE1 3.41Å; F769-E958 WeakPolarHBondContact CZ-OE1 2.92Å; F769-L961 WeakPolarHBondContact CD1-O 3.5Å; F769-M962 HydrophobicContact CB-CE 4.42Å; F769-M962 HydrophobicContact CB-SD 4.38Å; F769-H963 AromaticContact CE1-ND1 4Å; F769-Y970 WeakPolarHBondContact CD2-OH 3.25Å; F769-S1052 VanDerWaalsContact CE2-OG 3.31Å; F769-S1052 WeakPolarHBondContact CE2-OG 3.28Å; F769-S1052 WeakPolarHBondContact CZ-OG 3.26Å |
| 770 | V | 96.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -107.5 | -13.6 | -172 | -61.5 | 0 | 0 | 0 | 0 | 113.5 | R750 G766 M962 L969 Y970 | R750-V770 HydrophobicContact CG-CG2 4.31Å; R750-V770 VanDerWaalsContact NE-CG2 3.34Å; G766-V770 WeakPolarHBondContact O-CG2 3.31Å; G766-V770 PolarHBondContact O-N 3.28Å; V770-M962 HydrophobicContact CG1-CE 4.27Å; V770-L969 HydrophobicContact CG1-CD2 4.18Å; V770-Y970 HydrophobicContact CG1-CD2 4.36Å; V770-Y970 HydrophobicContact CG1-CE2 3.98Å; V770-Y970 HydrophobicContact CG2-CE2 4.24Å |
| 771 | G | 94.4 | Very high | 94 | Very high | 4 Ų | 4 | 49.3 Ų | 49.3 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -73.1 | 146.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N767 G778 | N767-G771 WeakPolarHBondContact O-CA 3.25Å; N767-G771 PolarHBondContact O-N 2.9Å; G771-G778 WeakPolarHBondContact O-CA 3.33Å |
| 772 | K | 92.1 | Very high | 94.2 | Very high | 133 Ų | 133 | 49.7 Ų | 49.7 | 58% | 0.578 | 24% | 0.241 | S | C | * | . | trans | -92.2 | 139.4 | 173.4 | -70 | -168.1 | 170.7 | -163.1 | 0 | 110.5 | ||||
| 773 | G | 88.6 | Confident | 94.6 | Very high | 26 Ų | 26 | 43.3 Ų | 43.3 | 27% | 0.268 | 21% | 0.211 | S | C | . | . | B | Isolated β-bridge | trans | -148.9 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N775 R776 | G773-N775 VanDerWaalsContact C-N 3.29Å; G773-R776 PolarHBondContact N-O 2.7Å |
| 774 | E | 87.1 | Confident | 94.9 | Very high | 189 Ų | 189 | 36.5 Ų | 36.5 | 88% | 0.883 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -34.6 | 175.4 | -65.3 | -170.6 | 163.9 | 0 | 0 | 111.8 | ||
| 775 | N | 89.8 | Confident | 95.2 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 24.5 | 176.8 | 66.6 | -23.1 | 0 | 0 | 0 | 112.7 | G773 F950 D953 F956 | G773-N775 VanDerWaalsContact C-N 3.29Å; N775-F950 HydrophobicContact CB-CZ 4.31Å; N775-D953 PolarHBondContact ND2-OD1 3.24Å; N775-D953 PolarHBondContact ND2-OD2 2.94Å; N775-F956 VanDerWaalsContact O-CD2 3.29Å; N775-F956 WeakPolarHBondContact O-CD2 3.27Å |
| 776 | R | 95.3 | Very high | 95.5 | Very high | 53 Ų | 53 | 33.7 Ų | 33.7 | 20% | 0.2 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -137 | 120.6 | -179.8 | -65 | -172.9 | -73 | -90.9 | 2.4 | 112.1 | I768 G773 G778 L943 | I768-R776 WeakPolarHBondContact O-CD 3.05Å; G773-R776 PolarHBondContact N-O 2.7Å; R776-G778 VanDerWaalsContact C-N 3.3Å; R776-G778 PolarHBondContact O-N 2.84Å; R776-L943 WeakPolarHBondContact O-CD2 3.06Å |
| 777 | I | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | trans | -65.2 | -36.4 | -179.2 | -69.6 | 172.4 | 0 | 0 | 0 | 110.9 | R780 Y781 L935 N938 I939 Y942 L943 F956 | I777-R780 WeakPolarHBondContact CG2-O 3.44Å; I777-Y781 HydrophobicContact CB-CE1 4.04Å; I777-Y781 HydrophobicContact CD1-CE1 3.82Å; I777-Y781 HydrophobicContact CG2-CD1 4.13Å; I777-Y781 HydrophobicContact CG2-CE1 3.63Å; I777-Y781 HydrophobicContact CG2-CE2 4.12Å; I777-L935 HydrophobicContact CD1-CD1 4.36Å; I777-N938 HydrophobicContact CD1-CB 4.05Å; I777-I939 HydrophobicContact CD1-CG1 4.19Å; I777-Y942 HydrophobicContact CG2-CD2 3.88Å; I777-Y942 HydrophobicContact CG2-CG 4.12Å; I777-L943 HydrophobicContact CG1-CD1 4.16Å; I777-L943 HydrophobicContact CG1-CG 4.09Å; I777-F956 HydrophobicContact CD1-CE2 4.02Å; I777-F956 HydrophobicContact CD1-CZ 4.11Å; I777-F956 HydrophobicContact CG1-CE2 4.14Å | ||
| 778 | G | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | 79.1 | -164.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G771 R776 R780 Y781 | G771-G778 WeakPolarHBondContact O-CA 3.33Å; R776-G778 VanDerWaalsContact C-N 3.3Å; R776-G778 PolarHBondContact O-N 2.84Å; G778-R780 VanDerWaalsContact C-N 3.27Å; G778-R780 PolarHBondContact O-N 3.2Å; G778-Y781 WeakPolarHBondContact O-CE2 3.46Å; G778-Y781 PolarHBondContact O-OH 3.22Å | ||
| 779 | S | 97.7 | Very high | 95.8 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 10% | 0.098 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -69.8 | -4.7 | -164.5 | 71.7 | 0 | 0 | 0 | 0 | 118.2 | D745 Y746 | D745-S779 CarbonylContact C-O 3.58Å; D745-S779 VanDerWaalsContact CA-O 3.32Å; D745-S779 WeakPolarHBondContact CA-O 3.41Å; D745-S779 VanDerWaalsContact OD1-CB 3.26Å; D745-S779 WeakPolarHBondContact OD1-CB 3.17Å; D745-S779 PolarHBondContact OD1-OG 2.85Å; Y746-S779 WeakPolarHBondContact CD2-O 3.4Å; Y746-S779 PolarHBondContact N-O 2.77Å |
| 780 | R | 98.4 | Very high | 95.6 | Very high | 108 Ų | 108 | 36.2 Ų | 36.2 | 41% | 0.408 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.9 | -169.3 | -67.7 | -173.2 | -175.9 | 172.4 | 5.7 | 112.7 | W744 D745 I777 G778 Y942 | W744-R780 CarbonylContact O-C 3.53Å; W744-R780 VanDerWaalsContact O-CA 3.31Å; W744-R780 WeakPolarHBondContact O-CA 3.44Å; D745-R780 HydrophobicContact CB-CG 3.92Å; D745-R780 WeakPolarHBondContact OD2-CG 3.22Å; D745-R780 IonicContact OD2-CZ 3.52Å; D745-R780 IonicContact OD2-NE 3.62Å; D745-R780 PolarHBondContact OD2-NE 2.92Å; D745-R780 IonicContact OD2-NH2 2.82Å; I777-R780 WeakPolarHBondContact CG2-O 3.44Å; G778-R780 VanDerWaalsContact C-N 3.27Å; G778-R780 PolarHBondContact O-N 3.2Å; R780-Y942 HydrophobicContact CB-CD1 4.37Å; R780-Y942 HydrophobicContact CB-CE1 3.74Å; R780-Y942 HydrophobicContact CB-CE2 4.5Å; R780-Y942 VanDerWaalsContact O-CD2 3.23Å; R780-Y942 WeakPolarHBondContact O-CD2 3.03Å; R780-Y942 WeakPolarHBondContact O-CE2 3.43Å |
| 781 | Y | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 141.5 | -177.1 | -65 | -101.2 | 0 | 0 | 0 | 110.8 | W744 Y746 I777 G778 E929 N938 N960 M962 | W744-Y781 PolarHBondContact N-O 2.93Å; W744-Y781 PolarHBondContact O-N 3.11Å; Y746-Y781 AromaticContact CD2-CD2 3.58Å; Y746-Y781 HydrophobicContact CD2-CD2 3.58Å; Y746-Y781 AromaticContact CD2-CE2 3.94Å; Y746-Y781 HydrophobicContact CD2-CE2 3.94Å; Y746-Y781 AromaticContact CE2-CD2 3.41Å; Y746-Y781 HydrophobicContact CE2-CD2 3.41Å; Y746-Y781 VanDerWaalsContact CE2-CD2 3.41Å; Y746-Y781 AromaticContact CE2-CE2 3.95Å; Y746-Y781 HydrophobicContact CE2-CE2 3.95Å; Y746-Y781 HydrophobicContact CE2-CG 4.03Å; I777-Y781 HydrophobicContact CB-CE1 4.04Å; I777-Y781 HydrophobicContact CD1-CE1 3.82Å; I777-Y781 HydrophobicContact CG2-CD1 4.13Å; I777-Y781 HydrophobicContact CG2-CE1 3.63Å; I777-Y781 HydrophobicContact CG2-CE2 4.12Å; G778-Y781 WeakPolarHBondContact O-CE2 3.46Å; G778-Y781 PolarHBondContact O-OH 3.22Å; Y781-E929 HydrophobicContact CD1-CB 3.87Å; Y781-E929 HydrophobicContact CD1-CG 3.58Å; Y781-E929 HydrophobicContact CD2-CG 4.46Å; Y781-E929 HydrophobicContact CE1-CB 3.68Å; Y781-E929 HydrophobicContact CE1-CG 3.7Å; Y781-E929 HydrophobicContact CG-CG 4.01Å; Y781-N938 HydrophobicContact CD1-CB 4.21Å; Y781-N960 WeakPolarHBondContact CE1-OD1 3.24Å; Y781-N960 PolarHBondContact OH-OD1 3.37Å; Y781-M962 HydrophobicContact CE2-CE 4.39Å; Y781-M962 HydrophobicContact CE2-CG 4.43Å; Y781-M962 HydrophobicContact CE2-SD 4.25Å |
| 782 | K | 98.6 | Very high | 95.3 | Very high | 55 Ų | 55 | 44 Ų | 44 | 24% | 0.239 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127.2 | 160.6 | -176.5 | -179.1 | 173.7 | -171.2 | 0 | 108.4 | E741 I742 Y934 D937 N938 | E741-K782 WeakPolarHBondContact OE2-CE 3.41Å; E741-K782 IonicContact OE2-NZ 3.58Å; E741-K782 PolarHBondContact OE2-NZ 2.89Å; E741-K782 VanDerWaalsContact OE2-NZ 3.17Å; I742-K782 WeakPolarHBondContact O-CA 2.95Å; K782-Y934 HydrophobicContact CD-CD1 3.73Å; K782-Y934 HydrophobicContact CD-CE1 4.3Å; K782-Y934 HydrophobicContact CD-CG 4.32Å; K782-Y934 HydrophobicContact CG-CD1 3.98Å; K782-Y934 HydrophobicContact CG-CG 4.14Å; K782-Y934 WeakPolarHBondContact O-CB 3.17Å; K782-D937 HydrophobicContact CD-CB 4.16Å; K782-D937 IonicContact NZ-OD2 2.82Å; K782-D937 PolarHBondContact NZ-OD2 3.06Å; K782-N938 WeakPolarHBondContact CB-OD1 3.39Å; K782-N938 PolarHBondContact N-OD1 3.11Å; K782-N938 PolarHBondContact O-ND2 2.95Å |
| 783 | K | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 177 | -178.5 | -64.1 | -165.5 | 73.9 | 77.7 | 0 | 110.6 | E741 I742 W744 Y746 I806 F888 S889 E929 | E741-K783 CarbonylContact C-O 3.54Å; E741-K783 VanDerWaalsContact CA-O 3.24Å; E741-K783 WeakPolarHBondContact CA-O 3.4Å; I742-K783 HydrophobicContact CG1-CB 4.28Å; I742-K783 PolarHBondContact N-O 3.27Å; I742-K783 PolarHBondContact O-N 2.82Å; W744-K783 HydrophobicContact CB-CB 4.15Å; W744-K783 HydrophobicContact CB-CD 3.54Å; W744-K783 HydrophobicContact CB-CG 3.8Å; W744-K783 HydrophobicContact CG-CD 3.7Å; W744-K783 HydrophobicContact CG-CG 4.49Å; Y746-K783 HydrophobicContact CE2-CD 4.4Å; Y746-K783 WeakPolarHBondContact OH-CE 3.27Å; Y746-K783 PolarHBondContact OH-NZ 2.83Å; K783-I806 HydrophobicContact CD-CD1 3.63Å; K783-F888 PolarHBondContact NZ-O 2.87Å; K783-S889 WeakPolarHBondContact CB-O 3.2Å; K783-S889 WeakPolarHBondContact CE-O 3.3Å; K783-E929 WeakPolarHBondContact CD-OE1 3.26Å; K783-E929 VanDerWaalsContact NZ-CD 3.33Å; K783-E929 IonicContact NZ-OE1 2.62Å; K783-E929 PolarHBondContact NZ-OE1 2.64Å; K783-E929 IonicContact NZ-OE2 3.08Å |
| 784 | V | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.5 | 168.9 | 63.9 | 0 | 0 | 0 | 0 | 109.4 | A739 E740 A827 Y831 S889 G890 L891 Y934 | A739-V784 HydrophobicContact CB-CG2 4.14Å; E740-V784 CarbonylContact O-C 3.5Å; E740-V784 WeakPolarHBondContact O-CA 3.35Å; E740-V784 WeakPolarHBondContact O-CG2 3.38Å; V784-A827 HydrophobicContact CG2-CB 4.05Å; V784-Y831 HydrophobicContact CB-CE2 4.22Å; V784-Y831 HydrophobicContact CG1-CE1 4.5Å; V784-Y831 HydrophobicContact CG1-CE2 4.06Å; V784-Y831 HydrophobicContact CG2-CD2 4.29Å; V784-Y831 HydrophobicContact CG2-CE2 3.77Å; V784-S889 PolarHBondContact N-O 3.36Å; V784-G890 CarbonylContact O-C 3.52Å; V784-G890 VanDerWaalsContact O-CA 3.23Å; V784-G890 WeakPolarHBondContact O-CA 3.41Å; V784-L891 HydrophobicContact CB-CD2 4.31Å; V784-L891 HydrophobicContact CG1-CD1 4.19Å; V784-L891 HydrophobicContact CG1-CD2 3.82Å; V784-L891 HydrophobicContact CG1-CG 3.64Å; V784-L891 HydrophobicContact CG2-CD2 3.81Å; V784-L891 HydrophobicContact CG2-CG 4.43Å; V784-Y934 HydrophobicContact CB-CE2 3.95Å; V784-Y934 HydrophobicContact CG1-CE2 3.97Å |
| 785 | A | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 154.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E740 I742 I806 | E740-A785 PolarHBondContact N-O 3.21Å; E740-A785 PolarHBondContact O-N 2.94Å; I742-A785 HydrophobicContact CD1-CB 3.89Å; A785-I806 HydrophobicContact CB-CG1 4.26Å |
| 786 | Y | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 135.7 | 173.9 | -67.3 | -60.8 | 0 | 0 | 0 | 111.8 | I737 S738 A739 F823 S832 I833 Y877 F878 S879 L891 | I737-Y786 HydrophobicContact CG2-CD1 3.91Å; I737-Y786 HydrophobicContact CG2-CG 4.31Å; S738-Y786 CarbonylContact O-C 3.52Å; S738-Y786 VanDerWaalsContact O-CA 3.24Å; S738-Y786 WeakPolarHBondContact O-CA 3.43Å; A739-Y786 HydrophobicContact CB-CD1 4.37Å; A739-Y786 HydrophobicContact CB-CE1 4.35Å; Y786-F823 AromaticContact CD1-CE2 3.94Å; Y786-F823 HydrophobicContact CD1-CE2 3.94Å; Y786-F823 AromaticContact CE1-CE2 3.62Å; Y786-F823 HydrophobicContact CE1-CE2 3.62Å; Y786-F823 HydrophobicContact CE1-CZ 4.09Å; Y786-S832 PolarHBondContact OH-O 3.05Å; Y786-I833 HydrophobicContact CD1-CD1 4.37Å; Y786-I833 HydrophobicContact CE1-CB 4.14Å; Y786-I833 HydrophobicContact CE1-CD1 4.12Å; Y786-I833 HydrophobicContact CE1-CG1 4.15Å; Y786-Y877 HydrophobicContact CD2-CD2 4.08Å; Y786-Y877 AromaticContact CD2-CE2 3.52Å; Y786-Y877 HydrophobicContact CD2-CE2 3.52Å; Y786-Y877 AromaticContact CE2-CD2 3.93Å; Y786-Y877 HydrophobicContact CE2-CD2 3.93Å; Y786-Y877 AromaticContact CE2-CE2 3.87Å; Y786-Y877 HydrophobicContact CE2-CE2 3.87Å; Y786-Y877 HydrophobicContact CG-CE2 4.01Å; Y786-F878 VanDerWaalsContact OH-C 3.26Å; Y786-S879 PolarHBondContact OH-N 3.22Å; Y786-L891 HydrophobicContact CD1-CD2 4.1Å; Y786-L891 HydrophobicContact CD2-CB 4.4Å; Y786-L891 HydrophobicContact CD2-CD2 4.19Å; Y786-L891 HydrophobicContact CE1-CD2 3.98Å; Y786-L891 HydrophobicContact CE2-CB 3.72Å; Y786-L891 HydrophobicContact CE2-CD2 4.09Å; Y786-L891 HydrophobicContact CE2-CG 4.41Å; Y786-L891 HydrophobicContact CG-CD2 4.2Å |
| 787 | R | 97.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.6 | 179.1 | -62.2 | -62.8 | 176.8 | -108.3 | 4.7 | 111.8 | I737 S738 E740 Y789 I806 | I737-R787 CarbonylContact C-O 3.45Å; I737-R787 VanDerWaalsContact CA-O 3.31Å; I737-R787 WeakPolarHBondContact CA-O 3.26Å; S738-R787 PolarHBondContact N-O 3.39Å; S738-R787 PolarHBondContact O-N 2.95Å; S738-R787 PolarHBondContact OG-O 2.88Å; E740-R787 HydrophobicContact CG-CG 4.43Å; R787-Y789 HydrophobicContact CB-CE2 4.02Å; R787-I806 PolarHBondContact NH1-O 3.41Å |
| 788 | E | 96.2 | Very high | 96.1 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 15% | 0.15 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 140.9 | 179.4 | -156.5 | -173.5 | 160.2 | 0 | 0 | 112 | Y736 Q797 K798 P809 | Y736-E788 CarbonylContact O-C 3.59Å; Y736-E788 WeakPolarHBondContact O-CA 3.25Å; E788-Q797 WeakPolarHBondContact O-CA 3.33Å; E788-Q797 VanDerWaalsContact O-CG 3.27Å; E788-Q797 WeakPolarHBondContact O-CG 3.34Å; E788-K798 HydrophobicContact CB-CB 4.26Å; E788-K798 VanDerWaalsContact CD-NZ 3.31Å; E788-K798 HydrophobicContact CG-CD 4.18Å; E788-K798 PolarHBondContact O-N 3.03Å; E788-K798 WeakPolarHBondContact OE1-CD 3.39Å; E788-K798 IonicContact OE1-NZ 2.77Å; E788-K798 PolarHBondContact OE1-NZ 2.77Å; E788-K798 VanDerWaalsContact OE2-CD 3.23Å; E788-K798 WeakPolarHBondContact OE2-CD 3.48Å; E788-K798 IonicContact OE2-NZ 3.26Å; E788-K798 PolarHBondContact OE2-NZ 3.36Å; E788-K798 VanDerWaalsContact OE2-NZ 3.15Å; E788-P809 HydrophobicContact CB-CB 3.93Å; E788-P809 HydrophobicContact CB-CG 3.89Å; E788-P809 HydrophobicContact CG-CB 4.42Å; E788-P809 HydrophobicContact CG-CG 4.37Å |
| 789 | Y | 96.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 52 Ų | 52 | 6% | 0.059 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 158.9 | 179 | -76.6 | -97.2 | 0 | 0 | 0 | 111.7 | Y736 S738 E740 R787 D791 F794 T796 Q797 K826 | Y736-Y789 PolarHBondContact O-N 2.75Å; S738-Y789 WeakPolarHBondContact OG-CE2 3.42Å; E740-Y789 VanDerWaalsContact CD-OH 3.24Å; E740-Y789 WeakPolarHBondContact OE1-CE2 3.38Å; E740-Y789 PolarHBondContact OE1-OH 2.93Å; E740-Y789 PolarHBondContact OE2-OH 3.41Å; E740-Y789 VanDerWaalsContact OE2-OH 3.05Å; R787-Y789 HydrophobicContact CB-CE2 4.02Å; Y789-D791 VanDerWaalsContact C-N 3.34Å; Y789-F794 VanDerWaalsContact CD1-CA 3.44Å; Y789-F794 HydrophobicContact CD1-CB 4.17Å; Y789-F794 AromaticContact CD2-CD1 3.81Å; Y789-F794 HydrophobicContact CD2-CD1 3.81Å; Y789-F794 VanDerWaalsContact CE1-C 3.42Å; Y789-F794 HydrophobicContact CE1-CB 4.44Å; Y789-F794 WeakPolarHBondContact CE1-O 3.47Å; Y789-F794 HydrophobicContact CE2-CD1 4.47Å; Y789-F794 HydrophobicContact CG-CB 4.32Å; Y789-F794 AromaticContact CG-CD1 3.86Å; Y789-F794 HydrophobicContact CG-CD1 3.86Å; Y789-F794 HydrophobicContact CG-CG 4.48Å; Y789-T796 WeakPolarHBondContact CA-O 3.47Å; Y789-T796 VanDerWaalsContact CD1-C 3.46Å; Y789-T796 VanDerWaalsContact CD1-O 3.29Å; Y789-T796 WeakPolarHBondContact CD1-O 3.37Å; Y789-Q797 HydrophobicContact CD1-CB 4.44Å; Y789-Q797 HydrophobicContact CE1-CB 4.04Å; Y789-Q797 HydrophobicContact CE2-CG 4.44Å; Y789-K826 PolarHBondContact OH-NZ 3.12Å |
| 790 | T | 93.2 | Very high | 95.3 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 44% | 0.436 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -72.4 | -27.5 | -179.2 | 55.5 | 0 | 0 | 0 | 0 | 113.6 | T796 | T790-T796 HydrophobicContact CG2-CG2 4.04Å; T790-T796 PolarHBondContact N-O 2.91Å; T790-T796 PolarHBondContact OG1-O 2.83Å |
| 791 | D | 92.8 | Very high | 94.9 | Very high | 52 Ų | 52 | 54.3 Ų | 54.3 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -161.5 | 177.7 | -172.4 | 57.5 | 55.4 | 0 | 0 | 0 | 112.7 | Y736 Y789 T793 F794 | Y736-D791 VanDerWaalsContact CG-C 3.49Å; Y789-D791 VanDerWaalsContact C-N 3.34Å; D791-T793 PolarHBondContact O-N 3.43Å; D791-T793 VanDerWaalsContact O-N 3.1Å; D791-T793 WeakPolarHBondContact OD1-CA 3.48Å; D791-T793 WeakPolarHBondContact OD1-CB 3.44Å; D791-T793 WeakPolarHBondContact OD1-CG2 3.39Å; D791-T793 PolarHBondContact OD1-N 3.33Å; D791-T793 PolarHBondContact OD1-OG1 3.32Å; D791-F794 PolarHBondContact O-N 3.38Å |
| 792 | E | 92.4 | Very high | 94.8 | Very high | 125 Ų | 125 | 60.7 Ų | 60.7 | 58% | 0.584 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -8.4 | -178.6 | 63.8 | -171.4 | -162.4 | 0 | 0 | 114.8 | Y736 F794 | Y736-E792 HydrophobicContact CD1-CB 4.17Å; Y736-E792 VanDerWaalsContact CD1-N 3.32Å; Y736-E792 HydrophobicContact CE1-CB 3.73Å; E792-F794 VanDerWaalsContact C-N 3.3Å; E792-F794 WeakPolarHBondContact O-CD2 3.38Å; E792-F794 WeakPolarHBondContact O-CE2 3.4Å |
| 793 | T | 93.9 | Very high | 94.7 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -20.4 | 177 | 75.9 | 0 | 0 | 0 | 0 | 112.1 | D791 K795 | D791-T793 PolarHBondContact O-N 3.43Å; D791-T793 VanDerWaalsContact O-N 3.1Å; D791-T793 WeakPolarHBondContact OD1-CA 3.48Å; D791-T793 WeakPolarHBondContact OD1-CB 3.44Å; D791-T793 WeakPolarHBondContact OD1-CG2 3.39Å; D791-T793 PolarHBondContact OD1-N 3.33Å; D791-T793 PolarHBondContact OD1-OG1 3.32Å; T793-K795 PolarHBondContact O-N 3Å; T793-K795 PolarHBondContact OG1-N 3.11Å |
| 794 | F | 95.4 | Very high | 94.6 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 4% | 0.039 | 30% | 0.299 | C | S | . | . | trans | 52.9 | 34.6 | -175.9 | -63.6 | -90.6 | 0 | 0 | 0 | 113.9 | I737 Y789 D791 E792 V822 K824 K826 I852 | I737-F794 WeakPolarHBondContact O-CE1 3.34Å; Y789-F794 VanDerWaalsContact CD1-CA 3.44Å; Y789-F794 HydrophobicContact CD1-CB 4.17Å; Y789-F794 AromaticContact CD2-CD1 3.81Å; Y789-F794 HydrophobicContact CD2-CD1 3.81Å; Y789-F794 VanDerWaalsContact CE1-C 3.42Å; Y789-F794 HydrophobicContact CE1-CB 4.44Å; Y789-F794 WeakPolarHBondContact CE1-O 3.47Å; Y789-F794 HydrophobicContact CE2-CD1 4.47Å; Y789-F794 HydrophobicContact CG-CB 4.32Å; Y789-F794 AromaticContact CG-CD1 3.86Å; Y789-F794 HydrophobicContact CG-CD1 3.86Å; Y789-F794 HydrophobicContact CG-CG 4.48Å; D791-F794 PolarHBondContact O-N 3.38Å; E792-F794 VanDerWaalsContact C-N 3.3Å; E792-F794 WeakPolarHBondContact O-CD2 3.38Å; E792-F794 WeakPolarHBondContact O-CE2 3.4Å; F794-V822 HydrophobicContact CE2-CG1 4.2Å; F794-V822 HydrophobicContact CZ-CG1 4.03Å; F794-V822 WeakPolarHBondContact CZ-O 3.15Å; F794-K824 HydrophobicContact CB-CD 3.97Å; F794-K824 HydrophobicContact CD1-CB 3.91Å; F794-K824 HydrophobicContact CD1-CD 4.2Å; F794-K824 HydrophobicContact CD2-CB 4.06Å; F794-K824 HydrophobicContact CD2-CD 3.58Å; F794-K824 HydrophobicContact CD2-CG 4.46Å; F794-K824 HydrophobicContact CE1-CB 3.61Å; F794-K824 HydrophobicContact CE2-CB 3.78Å; F794-K824 HydrophobicContact CE2-CD 4.1Å; F794-K824 HydrophobicContact CG-CB 4.12Å; F794-K824 HydrophobicContact CG-CD 3.65Å; F794-K824 HydrophobicContact CZ-CB 3.54Å; F794-K826 PolarHBondContact O-NZ 3.4Å; F794-K826 VanDerWaalsContact O-NZ 3.17Å; F794-I852 HydrophobicContact CD2-CD1 4.21Å; F794-I852 HydrophobicContact CE2-CD1 3.93Å; F794-I852 HydrophobicContact CE2-CG1 4.36Å | ||
| 795 | K | 94.6 | Very high | 94.5 | Very high | 172 Ų | 172 | 58.7 Ų | 58.7 | 75% | 0.748 | 30% | 0.301 | S | S | * | . | trans | -97.8 | -40.1 | 179.2 | -68.3 | -178.6 | -179.4 | 178.3 | 0 | 113.4 | T793 | T793-K795 PolarHBondContact O-N 3Å; T793-K795 PolarHBondContact OG1-N 3.11Å | ||
| 796 | T | 95.9 | Very high | 94.4 | Very high | 83 Ų | 83 | 58.7 Ų | 58.7 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -108.2 | 107.5 | -176.9 | -53 | 0 | 0 | 0 | 0 | 109.5 | Y789 T790 | Y789-T796 WeakPolarHBondContact CA-O 3.47Å; Y789-T796 VanDerWaalsContact CD1-C 3.46Å; Y789-T796 VanDerWaalsContact CD1-O 3.29Å; Y789-T796 WeakPolarHBondContact CD1-O 3.37Å; T790-T796 HydrophobicContact CG2-CG2 4.04Å; T790-T796 PolarHBondContact N-O 2.91Å; T790-T796 PolarHBondContact OG1-O 2.83Å |
| 797 | Q | 93.6 | Very high | 94.4 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -71.2 | 139.7 | 174.1 | -167.2 | -175.1 | -31.7 | 0 | 0 | 109.7 | E788 Y789 | E788-Q797 WeakPolarHBondContact O-CA 3.33Å; E788-Q797 VanDerWaalsContact O-CG 3.27Å; E788-Q797 WeakPolarHBondContact O-CG 3.34Å; Y789-Q797 HydrophobicContact CD1-CB 4.44Å; Y789-Q797 HydrophobicContact CE1-CB 4.04Å; Y789-Q797 HydrophobicContact CE2-CG 4.44Å |
| 798 | K | 92.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 31% | 0.313 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 147.2 | 177.6 | -162.9 | -175.7 | -177 | -176.3 | 0 | 110.5 | E788 R800 | E788-K798 HydrophobicContact CB-CB 4.26Å; E788-K798 VanDerWaalsContact CD-NZ 3.31Å; E788-K798 HydrophobicContact CG-CD 4.18Å; E788-K798 PolarHBondContact O-N 3.03Å; E788-K798 WeakPolarHBondContact OE1-CD 3.39Å; E788-K798 IonicContact OE1-NZ 2.77Å; E788-K798 PolarHBondContact OE1-NZ 2.77Å; E788-K798 VanDerWaalsContact OE2-CD 3.23Å; E788-K798 WeakPolarHBondContact OE2-CD 3.48Å; E788-K798 IonicContact OE2-NZ 3.26Å; E788-K798 PolarHBondContact OE2-NZ 3.36Å; E788-K798 VanDerWaalsContact OE2-NZ 3.15Å; K798-R800 PolarHBondContact O-N 2.86Å |
| 799 | A | 89.4 | Confident | 94.5 | Very high | 102 Ų | 102 | 56.7 Ų | 56.7 | 84% | 0.843 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 136.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 800 | R | 88.6 | Confident | 94.5 | Very high | 87 Ų | 87 | 56.6 Ų | 56.6 | 33% | 0.328 | 29% | 0.293 | S | S | . | . | trans | -120.9 | 145.9 | -173 | -177.6 | 166 | 170.3 | -112.7 | 7.2 | 110.5 | K798 L804 S805 L807 | K798-R800 PolarHBondContact O-N 2.86Å; R800-L804 HydrophobicContact CG-CB 4.49Å; R800-L804 HydrophobicContact CG-CD1 4.12Å; R800-L804 VanDerWaalsContact NH2-CB 3.28Å; R800-L804 PolarHBondContact NH2-O 2.99Å; R800-S805 PolarHBondContact NH1-O 2.65Å; R800-S805 PolarHBondContact NH2-O 2.74Å; R800-L807 PolarHBondContact NH2-O 3.32Å | ||
| 801 | E | 90.6 | Very high | 94.6 | Very high | 85 Ų | 85 | 53.2 Ų | 53.2 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | trans | -69.2 | 131.9 | 172.5 | -61.5 | -178.7 | -129.3 | 0 | 0 | 110.4 | H803 L804 | E801-H803 VanDerWaalsContact C-N 3.25Å; E801-H803 PolarHBondContact O-N 3.02Å; E801-H803 IonicContact OE2-CE1 3.33Å; E801-H803 PolarHBondContact OE2-CE1 3.34Å; E801-H803 IonicContact OE2-ND1 3.93Å; E801-H803 PolarHBondContact OE2-ND1 2.98Å; E801-L804 HydrophobicContact CB-CD1 4.31Å; E801-L804 HydrophobicContact CB-CG 4.37Å; E801-L804 PolarHBondContact O-N 2.98Å | ||
| 802 | E | 95.4 | Very high | 94.7 | Very high | 133 Ų | 133 | 51.5 Ų | 51.5 | 62% | 0.621 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -58.4 | -38 | -173.6 | -175.1 | 178.1 | -166 | 0 | 0 | 112.3 | L804 S805 R974 | E802-L804 VanDerWaalsContact C-N 3.26Å; E802-L804 PolarHBondContact O-N 2.86Å; E802-S805 PolarHBondContact O-N 2.97Å; E802-R974 HydrophobicContact CG-CB 4.05Å; E802-R974 WeakPolarHBondContact OE1-CB 3.24Å |
| 803 | H | 96.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.009 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -64.9 | -24.9 | -176.5 | 81.1 | -92.5 | 0 | 0 | 0 | 114.1 | E801 S805 F920 A921 N966 L973 R974 L976 | E801-H803 VanDerWaalsContact C-N 3.25Å; E801-H803 PolarHBondContact O-N 3.02Å; E801-H803 IonicContact OE2-CE1 3.33Å; E801-H803 PolarHBondContact OE2-CE1 3.34Å; E801-H803 IonicContact OE2-ND1 3.93Å; E801-H803 PolarHBondContact OE2-ND1 2.98Å; H803-S805 PolarHBondContact O-N 2.83Å; H803-F920 HydrophobicContact CB-CD1 4.41Å; H803-F920 AromaticContact CE1-CD1 3.86Å; H803-F920 AromaticContact CG-CD1 3.82Å; H803-F920 AromaticContact ND1-CD1 3.68Å; H803-A921 PolarHBondContact CD2-O 3.06Å; H803-A921 PolarHBondContact NE2-N 2.8Å; H803-N966 PolarHBondContact O-ND2 2.95Å; H803-L973 WeakPolarHBondContact O-CD1 3.36Å; H803-R974 WeakPolarHBondContact CA-O 3.49Å; H803-R974 PolarHBondContact N-O 2.57Å; H803-L976 HydrophobicContact CB-CD2 3.68Å; H803-L976 HydrophobicContact CB-CG 4.41Å |
| 804 | L | 97.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 43.6 Ų | 43.6 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -65.8 | -24.4 | -179.2 | -68 | 174.9 | 0 | 0 | 0 | 111.5 | R800 E801 E802 I806 L807 I810 A921 | R800-L804 HydrophobicContact CG-CB 4.49Å; R800-L804 HydrophobicContact CG-CD1 4.12Å; R800-L804 VanDerWaalsContact NH2-CB 3.28Å; R800-L804 PolarHBondContact NH2-O 2.99Å; E801-L804 HydrophobicContact CB-CD1 4.31Å; E801-L804 HydrophobicContact CB-CG 4.37Å; E801-L804 PolarHBondContact O-N 2.98Å; E802-L804 VanDerWaalsContact C-N 3.26Å; E802-L804 PolarHBondContact O-N 2.86Å; L804-I806 PolarHBondContact O-N 2.88Å; L804-L807 HydrophobicContact CB-CB 4.41Å; L804-L807 HydrophobicContact CD2-CD1 4.32Å; L804-L807 VanDerWaalsContact O-CB 3.25Å; L804-L807 WeakPolarHBondContact O-CB 3.35Å; L804-L807 PolarHBondContact O-N 3.36Å; L804-I810 HydrophobicContact CD1-CG1 4.26Å; L804-I810 HydrophobicContact CD2-CD1 4.22Å; L804-I810 HydrophobicContact CD2-CG1 3.92Å; L804-A921 HydrophobicContact CD2-CB 3.93Å |
| 805 | S | 96.3 | Very high | 94.7 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -98.7 | 170.8 | -176 | 0 | 0 | 0 | 0 | 114.6 | W744 R800 E802 H803 N966 R968 | W744-S805 WeakPolarHBondContact CH2-O 3.39Å; W744-S805 WeakPolarHBondContact CH2-OG 3.49Å; W744-S805 WeakPolarHBondContact CZ2-OG 3.3Å; R800-S805 PolarHBondContact NH1-O 2.65Å; R800-S805 PolarHBondContact NH2-O 2.74Å; E802-S805 PolarHBondContact O-N 2.97Å; H803-S805 PolarHBondContact O-N 2.83Å; S805-N966 WeakPolarHBondContact CB-O 3.43Å; S805-N966 PolarHBondContact OG-O 2.92Å; S805-R968 WeakPolarHBondContact OG-CG 3.31Å; S805-R968 PolarHBondContact OG-NE 3.07Å |
| 806 | I | 97 | Very high | 94.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -29.2 | 174.6 | -163.6 | 171.2 | 0 | 0 | 0 | 113.5 | W744 K783 A785 R787 L804 Y927 N966 | W744-I806 HydrophobicContact CD2-CB 4.34Å; W744-I806 HydrophobicContact CD2-CD1 4.15Å; W744-I806 HydrophobicContact CD2-CG1 4.29Å; W744-I806 HydrophobicContact CE3-CB 4.47Å; W744-I806 HydrophobicContact CE3-CG1 4.39Å; W744-I806 HydrophobicContact CG-CD1 4.26Å; W744-I806 HydrophobicContact CH2-CB 3.84Å; W744-I806 VanDerWaalsContact CH2-N 3.3Å; W744-I806 HydrophobicContact CZ2-CB 3.67Å; W744-I806 HydrophobicContact CZ2-CG1 4.49Å; W744-I806 HydrophobicContact CZ3-CB 4.23Å; K783-I806 HydrophobicContact CD-CD1 3.63Å; A785-I806 HydrophobicContact CB-CG1 4.26Å; R787-I806 PolarHBondContact NH1-O 3.41Å; L804-I806 PolarHBondContact O-N 2.88Å; I806-Y927 HydrophobicContact CD1-CE1 4.35Å; I806-Y927 HydrophobicContact CG2-CE1 4.37Å; I806-Y927 WeakPolarHBondContact CG2-OH 3.31Å; I806-N966 WeakPolarHBondContact CG2-O 3.03Å; I806-N966 PolarHBondContact N-O 2.95Å |
| 807 | L | 98 | Very high | 94.4 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -50.6 | 150.8 | -173.5 | -68.5 | 176.8 | 0 | 0 | 0 | 114.3 | R800 L804 L892 A921 L923 N966 | R800-L807 PolarHBondContact NH2-O 3.32Å; L804-L807 HydrophobicContact CB-CB 4.41Å; L804-L807 HydrophobicContact CD2-CD1 4.32Å; L804-L807 VanDerWaalsContact O-CB 3.25Å; L804-L807 WeakPolarHBondContact O-CB 3.35Å; L804-L807 PolarHBondContact O-N 3.36Å; L807-L892 HydrophobicContact CD2-CD2 3.61Å; L807-A921 HydrophobicContact CD1-CB 4.33Å; L807-L923 HydrophobicContact CD1-CB 4.31Å; L807-L923 HydrophobicContact CD2-CB 3.82Å; L807-L923 HydrophobicContact CD2-CD2 3.84Å; L807-L923 HydrophobicContact CD2-CG 4.44Å; L807-L923 HydrophobicContact CG-CB 4.45Å; L807-N966 HydrophobicContact CD1-CB 4.5Å; L807-N966 WeakPolarHBondContact CD1-OD1 3.22Å |
| 808 | G | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -59.4 | 166.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y877 L892 | G808-Y877 VanDerWaalsContact C-OH 3.24Å; G808-Y877 VanDerWaalsContact CA-OH 3.26Å; G808-Y877 WeakPolarHBondContact CA-OH 3.44Å; G808-L892 PolarHBondContact N-O 2.87Å |
| 809 | P | 96.4 | Very high | 94.5 | Very high | 8 Ų | 8 | 27 Ų | 27 | 5% | 0.052 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 151.3 | 172.1 | 29.1 | -39 | 0 | 0 | 0 | 111.8 | I737 E788 I811 Y877 | I737-P809 HydrophobicContact CD1-CG 4.25Å; I737-P809 HydrophobicContact CG1-CG 4.44Å; E788-P809 HydrophobicContact CB-CB 3.93Å; E788-P809 HydrophobicContact CB-CG 3.89Å; E788-P809 HydrophobicContact CG-CB 4.42Å; E788-P809 HydrophobicContact CG-CG 4.37Å; P809-I811 PolarHBondContact O-N 3.3Å; P809-Y877 WeakPolarHBondContact CD-OH 3.47Å; P809-Y877 WeakPolarHBondContact CG-OH 3.49Å; P809-Y877 WeakPolarHBondContact O-CE1 3.38Å; P809-Y877 PolarHBondContact O-OH 3.41Å |
| 810 | I | 96 | Very high | 94.8 | Very high | 13 Ų | 13 | 23.3 Ų | 23.3 | 7% | 0.067 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 121.1 | 168.3 | -51 | 174 | 0 | 0 | 0 | 108.3 | L804 H812 P894 V896 E919 | L804-I810 HydrophobicContact CD1-CG1 4.26Å; L804-I810 HydrophobicContact CD2-CD1 4.22Å; L804-I810 HydrophobicContact CD2-CG1 3.92Å; I810-H812 WeakPolarHBondContact CG2-CE1 3.23Å; I810-P894 HydrophobicContact CB-CG 4.25Å; I810-P894 HydrophobicContact CG1-CG 3.75Å; I810-P894 HydrophobicContact CG2-CG 4.4Å; I810-V896 HydrophobicContact CG2-CB 4.29Å; I810-V896 HydrophobicContact CG2-CG2 3.61Å; I810-E919 HydrophobicContact CD1-CG 4.39Å |
| 811 | I | 95.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.5 | 174.7 | -59.4 | 175.1 | 0 | 0 | 0 | 107.6 | Y735 I737 P809 I819 I821 W857 Y877 P894 L895 V896 | Y735-I811 HydrophobicContact CD2-CG2 4.14Å; Y735-I811 HydrophobicContact CE1-CG2 4.37Å; Y735-I811 HydrophobicContact CE2-CG2 3.86Å; I737-I811 HydrophobicContact CD1-CD1 3.45Å; I737-I811 VanDerWaalsContact CD1-CD1 3.45Å; I737-I811 HydrophobicContact CD1-CG1 4.09Å; P809-I811 PolarHBondContact O-N 3.3Å; I811-I819 HydrophobicContact CG2-CD1 3.87Å; I811-I819 HydrophobicContact CG2-CG2 4.24Å; I811-I821 HydrophobicContact CD1-CD1 4.11Å; I811-W857 HydrophobicContact CD1-CH2 3.77Å; I811-W857 HydrophobicContact CD1-CZ3 3.63Å; I811-W857 HydrophobicContact CG2-CZ3 4.19Å; I811-Y877 HydrophobicContact CB-CE1 4.42Å; I811-Y877 HydrophobicContact CD1-CD1 3.76Å; I811-Y877 HydrophobicContact CD1-CE1 3.42Å; I811-Y877 VanDerWaalsContact CD1-CE1 3.42Å; I811-Y877 HydrophobicContact CD1-CE2 4.31Å; I811-Y877 HydrophobicContact CD1-CG 4.32Å; I811-Y877 HydrophobicContact CG1-CD1 4.39Å; I811-Y877 HydrophobicContact CG1-CE1 3.73Å; I811-P894 PolarHBondContact N-O 3.03Å; I811-L895 HydrophobicContact CB-CD1 3.99Å; I811-L895 HydrophobicContact CG2-CD1 3.8Å; I811-V896 PolarHBondContact O-N 2.83Å |
| 812 | H | 95 | Very high | 95.5 | Very high | 17 Ų | 17 | 15.3 Ų | 15.3 | 8% | 0.079 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.8 | -179.3 | -62.7 | 95.1 | 0 | 0 | 0 | 111.3 | Y735 I810 V896 L903 E919 | Y735-H812 PolarHBondContact OH-N 2.85Å; Y735-H812 VanDerWaalsContact OH-N 3.12Å; Y735-H812 PolarHBondContact OH-O 3.23Å; Y735-H812 VanDerWaalsContact OH-O 3.13Å; I810-H812 WeakPolarHBondContact CG2-CE1 3.23Å; H812-V896 WeakPolarHBondContact CA-O 3.41Å; H812-L903 HydrophobicContact CB-CD1 3.76Å; H812-L903 HydrophobicContact CB-CD2 4.38Å; H812-E919 IonicContact CD2-OE2 2.62Å; H812-E919 IonicContact CE1-OE1 2.75Å; H812-E919 IonicContact CE1-OE2 2.8Å; H812-E919 IonicContact NE2-OE1 3.72Å; H812-E919 PolarHBondContact NE2-OE1 2.84Å; H812-E919 IonicContact NE2-OE2 3.19Å; H812-E919 PolarHBondContact NE2-OE2 2.7Å |
| 813 | G | 93.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 150.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V896 I897 C898 | G813-V896 PolarHBondContact N-O 3.05Å; G813-I897 CarbonylContact O-C 3.51Å; G813-I897 WeakPolarHBondContact O-CA 3.4Å; G813-C898 PolarHBondContact O-N 3.45Å |
| 814 | E | 94.3 | Very high | 95.6 | Very high | 26 Ų | 26 | 11.3 Ų | 11.3 | 12% | 0.121 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 151.7 | 169.6 | -56.8 | -163.8 | 144 | 0 | 0 | 111.4 | G816 E817 C898 G901 T902 L903 | E814-G816 PolarHBondContact O-N 2.79Å; E814-E817 HydrophobicContact CB-CG 4.09Å; E814-E817 PolarHBondContact N-OE2 2.85Å; E814-E817 WeakPolarHBondContact O-CB 2.96Å; E814-E817 PolarHBondContact O-N 2.8Å; E814-C898 WeakPolarHBondContact CA-O 3.47Å; E814-G901 VanDerWaalsContact CD-N 3.25Å; E814-G901 WeakPolarHBondContact OE1-CA 3.31Å; E814-G901 PolarHBondContact OE1-N 2.98Å; E814-G901 PolarHBondContact OE2-N 3.23Å; E814-T902 PolarHBondContact OE1-N 2.59Å; E814-L903 HydrophobicContact CG-CB 4.16Å; E814-L903 HydrophobicContact CG-CD1 3.71Å; E814-L903 HydrophobicContact CG-CG 4Å; E814-L903 WeakPolarHBondContact OE1-CB 3.32Å; E814-L903 PolarHBondContact OE1-N 2.64Å |
| 815 | V | 94.6 | Very high | 95.6 | Very high | 22 Ų | 22 | 11 Ų | 11 | 13% | 0.133 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 127.7 | 172.2 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | I859 V861 I897 C898 P900 | V815-I859 HydrophobicContact CG2-CG2 4.43Å; V815-V861 HydrophobicContact CG1-CB 4.21Å; V815-V861 HydrophobicContact CG1-CG2 3.79Å; V815-I897 HydrophobicContact CG2-CG2 4.36Å; V815-C898 PolarHBondContact N-O 3.07Å; V815-P900 HydrophobicContact CB-CG 4.1Å |
| 816 | G | 91.5 | Very high | 95.7 | Very high | 22 Ų | 22 | 14.5 Ų | 14.5 | 23% | 0.227 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -4.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T730 E814 I859 | T730-G816 PolarHBondContact N-O 2.83Å; T730-G816 VanDerWaalsContact OG1-C 3.26Å; T730-G816 PolarHBondContact OG1-O 2.75Å; E814-G816 PolarHBondContact O-N 2.79Å; G816-I859 PolarHBondContact N-O 3.05Å |
| 817 | E | 92.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 14.7 Ų | 14.7 | 4% | 0.042 | 8% | 0.077 | C | C | . | . | trans | -83.7 | 166.2 | 169.4 | -63.7 | -173.4 | 131.9 | 0 | 0 | 111.7 | R731 V733 E814 I859 R911 | R731-E817 HydrophobicContact CB-CG 4.16Å; R731-E817 WeakPolarHBondContact CD-OE1 3.43Å; R731-E817 WeakPolarHBondContact O-CA 3.46Å; V733-E817 HydrophobicContact CG2-CB 4.49Å; E814-E817 HydrophobicContact CB-CG 4.09Å; E814-E817 PolarHBondContact N-OE2 2.85Å; E814-E817 WeakPolarHBondContact O-CB 2.96Å; E814-E817 PolarHBondContact O-N 2.8Å; E817-I859 HydrophobicContact CB-CD1 4.49Å; E817-I859 PolarHBondContact O-N 3.33Å; E817-I859 VanDerWaalsContact O-N 3.1Å; E817-R911 IonicContact OE1-CZ 2.65Å; E817-R911 IonicContact OE1-NH1 2.97Å; E817-R911 PolarHBondContact OE1-NH1 2.65Å; E817-R911 IonicContact OE1-NH2 3.9Å; E817-R911 IonicContact OE2-CZ 2.96Å; E817-R911 IonicContact OE2-NH1 3.49Å; E817-R911 PolarHBondContact OE2-NH1 3.37Å; E817-R911 IonicContact OE2-NH2 3.22Å; E817-R911 PolarHBondContact OE2-NH2 2.87Å | ||
| 818 | Q | 93.6 | Very high | 95.7 | Very high | 28 Ų | 28 | 17.9 Ų | 17.9 | 13% | 0.131 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.3 | 165.5 | 179.2 | -179 | 79.4 | 0 | 0 | 109.1 | P729 R731 I732 V733 T856 W857 D858 | P729-Q818 HydrophobicContact CB-CB 3.54Å; P729-Q818 HydrophobicContact CG-CB 4Å; R731-Q818 PolarHBondContact O-N 2.87Å; I732-Q818 CarbonylContact C-O 3.59Å; I732-Q818 WeakPolarHBondContact CA-O 3.12Å; I732-Q818 HydrophobicContact CG1-CB 4.48Å; V733-Q818 PolarHBondContact N-O 2.83Å; Q818-T856 HydrophobicContact CG-CG2 4.47Å; Q818-W857 CarbonylContact C-O 3.5Å; Q818-W857 WeakPolarHBondContact CA-O 3.48Å; Q818-D858 PolarHBondContact NE2-OD1 2.79Å |
| 819 | I | 94.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 126.3 | 172.5 | -62.5 | 167.3 | 0 | 0 | 0 | 108.2 | V733 Y735 I811 I821 T856 W857 I859 L895 | V733-I819 CarbonylContact O-C 3.58Å; V733-I819 WeakPolarHBondContact O-CA 3.45Å; Y735-I819 HydrophobicContact CD2-CG2 3.82Å; Y735-I819 HydrophobicContact CE2-CG2 4.24Å; I811-I819 HydrophobicContact CG2-CD1 3.87Å; I811-I819 HydrophobicContact CG2-CG2 4.24Å; I819-I821 HydrophobicContact CG2-CD1 3.39Å; I819-I821 HydrophobicContact CG2-CG1 4Å; I819-T856 CarbonylContact O-C 3.52Å; I819-T856 WeakPolarHBondContact O-CA 3.46Å; I819-W857 HydrophobicContact CB-CB 4.2Å; I819-W857 HydrophobicContact CB-CE3 4.3Å; I819-W857 HydrophobicContact CD1-CE3 4.24Å; I819-W857 HydrophobicContact CG2-CE3 4.02Å; I819-W857 PolarHBondContact N-O 2.57Å; I819-W857 PolarHBondContact O-N 2.61Å; I819-I859 HydrophobicContact CD1-CD1 3.72Å; I819-I859 HydrophobicContact CD1-CG1 4.44Å; I819-I859 HydrophobicContact CG1-CD1 3.95Å; I819-L895 HydrophobicContact CD1-CD1 3.99Å |
| 820 | L | 95.4 | Very high | 95.7 | Very high | 24 Ų | 24 | 22.6 Ų | 22.6 | 13% | 0.126 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 104.8 | 173.5 | 177.6 | 56.2 | 0 | 0 | 0 | 109 | I732 V733 K734 Y735 E854 L855 T856 | I732-L820 HydrophobicContact CG2-CB 3.9Å; I732-L820 HydrophobicContact CG2-CD2 4.32Å; V733-L820 PolarHBondContact O-N 2.97Å; K734-L820 CarbonylContact C-O 3.5Å; K734-L820 VanDerWaalsContact CA-O 3.29Å; K734-L820 WeakPolarHBondContact CA-O 3.49Å; K734-L820 HydrophobicContact CB-CB 4.5Å; K734-L820 HydrophobicContact CD-CD2 4.39Å; K734-L820 HydrophobicContact CG-CD2 4.48Å; K734-L820 HydrophobicContact CG-CG 4.36Å; Y735-L820 PolarHBondContact N-O 3.3Å; L820-E854 HydrophobicContact CD1-CB 4.1Å; L820-L855 CarbonylContact C-O 3.53Å; L820-L855 WeakPolarHBondContact CA-O 3.33Å; L820-T856 HydrophobicContact CD1-CG2 4.04Å |
| 821 | I | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 115.5 | 175.2 | -55.7 | -55.7 | 0 | 0 | 0 | 108.9 | Y735 I737 I811 I819 F823 I833 E854 L855 W857 | Y735-I821 HydrophobicContact CD2-CD1 4.35Å; Y735-I821 HydrophobicContact CG-CD1 4.33Å; I737-I821 HydrophobicContact CD1-CD1 4.19Å; I737-I821 HydrophobicContact CD1-CG2 4.41Å; I811-I821 HydrophobicContact CD1-CD1 4.11Å; I819-I821 HydrophobicContact CG2-CD1 3.39Å; I819-I821 HydrophobicContact CG2-CG1 4Å; I821-F823 HydrophobicContact CG2-CB 4.03Å; I821-I833 HydrophobicContact CG2-CD1 4.32Å; I821-I833 HydrophobicContact CG2-CG2 4.09Å; I821-E854 WeakPolarHBondContact O-CA 3.34Å; I821-L855 HydrophobicContact CB-CB 4.44Å; I821-L855 PolarHBondContact N-O 3.16Å; I821-L855 PolarHBondContact O-N 3.34Å; I821-W857 HydrophobicContact CD1-CD2 4.5Å; I821-W857 HydrophobicContact CD1-CE3 4.16Å; I821-W857 HydrophobicContact CD1-CH2 4.02Å; I821-W857 HydrophobicContact CD1-CZ2 4.36Å; I821-W857 HydrophobicContact CD1-CZ3 3.91Å; I821-W857 HydrophobicContact CG1-CD2 3.81Å; I821-W857 HydrophobicContact CG1-CE3 3.96Å; I821-W857 HydrophobicContact CG1-CH2 3.75Å; I821-W857 HydrophobicContact CG1-CZ2 3.57Å; I821-W857 HydrophobicContact CG1-CZ3 3.93Å |
| 822 | V | 96.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.024 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 100.8 | 165.2 | -173.4 | 0 | 0 | 0 | 0 | 106.6 | K734 Y735 Y736 I737 F794 I852 E854 | K734-V822 HydrophobicContact CD-CG2 3.79Å; K734-V822 HydrophobicContact CG-CG2 3.96Å; Y735-V822 PolarHBondContact O-N 2.97Å; Y736-V822 HydrophobicContact CD1-CB 3.68Å; Y736-V822 HydrophobicContact CD1-CG1 4.07Å; Y736-V822 HydrophobicContact CD1-CG2 3.91Å; Y736-V822 HydrophobicContact CE1-CB 4.14Å; Y736-V822 HydrophobicContact CE1-CG1 4.47Å; Y736-V822 HydrophobicContact CE1-CG2 3.86Å; I737-V822 PolarHBondContact N-O 3.49Å; F794-V822 HydrophobicContact CE2-CG1 4.2Å; F794-V822 HydrophobicContact CZ-CG1 4.03Å; F794-V822 WeakPolarHBondContact CZ-O 3.15Å; V822-I852 HydrophobicContact CG1-CG2 3.67Å; V822-E854 HydrophobicContact CG1-CG 4.49Å; V822-E854 HydrophobicContact CG2-CG 4.23Å |
| 823 | F | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126 | -174.4 | 179 | -111.6 | 0 | 0 | 0 | 111.7 | I737 A739 Y786 I821 N825 I833 V847 I852 V853 | I737-F823 HydrophobicContact CB-CD2 4.48Å; I737-F823 HydrophobicContact CG2-CD2 4.29Å; I737-F823 CarbonylContact O-C 3.54Å; I737-F823 VanDerWaalsContact O-CA 3.23Å; I737-F823 WeakPolarHBondContact O-CA 3.49Å; I737-F823 WeakPolarHBondContact O-CD2 3.24Å; A739-F823 HydrophobicContact CB-CE2 3.93Å; A739-F823 HydrophobicContact CB-CZ 3.7Å; Y786-F823 AromaticContact CD1-CE2 3.94Å; Y786-F823 HydrophobicContact CD1-CE2 3.94Å; Y786-F823 AromaticContact CE1-CE2 3.62Å; Y786-F823 HydrophobicContact CE1-CE2 3.62Å; Y786-F823 HydrophobicContact CE1-CZ 4.09Å; I821-F823 HydrophobicContact CG2-CB 4.03Å; F823-N825 HydrophobicContact CE1-CB 4.27Å; F823-I833 HydrophobicContact CB-CG2 3.84Å; F823-I833 HydrophobicContact CD1-CG2 4.16Å; F823-I833 HydrophobicContact CD2-CB 4.26Å; F823-I833 HydrophobicContact CD2-CG2 3.88Å; F823-I833 HydrophobicContact CE2-CB 4.42Å; F823-I833 HydrophobicContact CE2-CG2 4.48Å; F823-I833 HydrophobicContact CG-CB 4.46Å; F823-I833 HydrophobicContact CG-CG2 3.69Å; F823-V847 HydrophobicContact CD1-CB 4.15Å; F823-V847 HydrophobicContact CD1-CG1 4.3Å; F823-V847 HydrophobicContact CD1-CG2 3.88Å; F823-V847 HydrophobicContact CE1-CB 4.01Å; F823-V847 HydrophobicContact CE1-CG1 4.41Å; F823-V847 HydrophobicContact CE1-CG2 4.1Å; F823-I852 CarbonylContact O-C 3.49Å; F823-I852 VanDerWaalsContact O-CA 3.29Å; F823-I852 WeakPolarHBondContact O-CA 3.41Å; F823-V853 HydrophobicContact CB-CG1 4.1Å; F823-V853 HydrophobicContact CD1-CG1 4.26Å; F823-V853 PolarHBondContact N-O 2.93Å; F823-V853 PolarHBondContact O-N 3.26Å |
| 824 | K | 97.8 | Very high | 95.9 | Very high | 50 Ų | 50 | 21.7 Ų | 21.7 | 22% | 0.217 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.5 | 174.1 | -175.4 | 172.2 | -176.2 | 172 | 0 | 111.2 | I737 S738 A739 F794 K826 H851 I852 | I737-K824 PolarHBondContact O-N 3.45Å; S738-K824 WeakPolarHBondContact CA-O 3.17Å; S738-K824 WeakPolarHBondContact CB-O 3.48Å; A739-K824 PolarHBondContact N-O 3Å; A739-K824 VanDerWaalsContact N-O 3.16Å; F794-K824 HydrophobicContact CB-CD 3.97Å; F794-K824 HydrophobicContact CD1-CB 3.91Å; F794-K824 HydrophobicContact CD1-CD 4.2Å; F794-K824 HydrophobicContact CD2-CB 4.06Å; F794-K824 HydrophobicContact CD2-CD 3.58Å; F794-K824 HydrophobicContact CD2-CG 4.46Å; F794-K824 HydrophobicContact CE1-CB 3.61Å; F794-K824 HydrophobicContact CE2-CB 3.78Å; F794-K824 HydrophobicContact CE2-CD 4.1Å; F794-K824 HydrophobicContact CG-CB 4.12Å; F794-K824 HydrophobicContact CG-CD 3.65Å; F794-K824 HydrophobicContact CZ-CB 3.54Å; K824-K826 HydrophobicContact CD-CG 4.1Å; K824-K826 HydrophobicContact CG-CG 4.07Å; K824-K826 PolarHBondContact O-N 3.37Å; K824-H851 WeakPolarHBondContact CA-O 3.45Å; K824-I852 HydrophobicContact CB-CG1 3.93Å; K824-I852 HydrophobicContact CD-CD1 4.12Å; K824-I852 HydrophobicContact CD-CG1 3.98Å; K824-I852 HydrophobicContact CG-CD1 4.46Å; K824-I852 HydrophobicContact CG-CG1 3.78Å |
| 825 | N | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 108.4 | 170.7 | -172.2 | 2.4 | 0 | 0 | 0 | 110.2 | F823 A827 R829 Y831 V847 G850 H851 | F823-N825 HydrophobicContact CE1-CB 4.27Å; N825-A827 WeakPolarHBondContact OD1-CB 3.48Å; N825-A827 PolarHBondContact OD1-N 2.82Å; N825-R829 PolarHBondContact ND2-O 3.08Å; N825-Y831 PolarHBondContact ND2-N 3.19Å; N825-V847 HydrophobicContact CB-CB 4.35Å; N825-V847 HydrophobicContact CB-CG1 4.01Å; N825-V847 PolarHBondContact ND2-O 2.86Å; N825-G850 WeakPolarHBondContact O-CA 3.32Å; N825-G850 PolarHBondContact O-N 3.5Å; N825-H851 PolarHBondContact N-O 3Å; N825-H851 VanDerWaalsContact N-O 3.11Å |
| 826 | K | 97.9 | Very high | 95.9 | Very high | 78 Ų | 78 | 19.6 Ų | 19.6 | 34% | 0.339 | 11% | 0.107 | S | C | . | . | trans | -99.4 | -3.6 | 173.5 | -66.2 | -171.2 | -170 | 162 | 0 | 112.9 | A739 E740 Y789 F794 K824 | A739-K826 WeakPolarHBondContact O-CA 3.37Å; A739-K826 WeakPolarHBondContact O-CB 3.22Å; A739-K826 PolarHBondContact O-N 3.49Å; E740-K826 HydrophobicContact CG-CB 4.22Å; E740-K826 HydrophobicContact CG-CD 4.16Å; E740-K826 VanDerWaalsContact OE1-CD 3.24Å; E740-K826 WeakPolarHBondContact OE1-CD 3.4Å; E740-K826 VanDerWaalsContact OE1-CE 3.29Å; E740-K826 WeakPolarHBondContact OE1-CE 3.21Å; E740-K826 IonicContact OE1-NZ 3.6Å; E740-K826 PolarHBondContact OE1-NZ 2.94Å; Y789-K826 PolarHBondContact OH-NZ 3.12Å; F794-K826 PolarHBondContact O-NZ 3.4Å; F794-K826 VanDerWaalsContact O-NZ 3.17Å; K824-K826 HydrophobicContact CD-CG 4.1Å; K824-K826 HydrophobicContact CG-CG 4.07Å; K824-K826 PolarHBondContact O-N 3.37Å | ||
| 827 | A | 97.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 19 Ų | 19 | 4% | 0.041 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -77.4 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A739 E741 V784 N825 R829 Y831 P849 | A739-A827 PolarHBondContact O-N 3.16Å; E741-A827 HydrophobicContact CG-CB 3.92Å; V784-A827 HydrophobicContact CG2-CB 4.05Å; N825-A827 WeakPolarHBondContact OD1-CB 3.48Å; N825-A827 PolarHBondContact OD1-N 2.82Å; A827-R829 VanDerWaalsContact C-N 3.35Å; A827-Y831 HydrophobicContact CB-CD2 3.72Å; A827-Y831 HydrophobicContact CB-CE2 3.48Å; A827-Y831 VanDerWaalsContact CB-CE2 3.48Å; A827-P849 WeakPolarHBondContact O-CB 3.27Å |
| 828 | S | 96.8 | Very high | 95.7 | Very high | 70 Ų | 70 | 18.9 Ų | 18.9 | 49% | 0.49 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -80.6 | -9.9 | -175.8 | 62.1 | 0 | 0 | 0 | 0 | 115 | E741 P849 | E741-S828 VanDerWaalsContact OE1-CB 3.25Å; E741-S828 WeakPolarHBondContact OE1-CB 3.13Å; E741-S828 PolarHBondContact OE1-N 2.98Å; E741-S828 PolarHBondContact OE1-OG 3.13Å; S828-P849 WeakPolarHBondContact O-CG 3.46Å |
| 829 | R | 96.9 | Very high | 95.4 | Very high | 63 Ų | 63 | 21 Ų | 21 | 24% | 0.238 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -136.3 | 162.9 | -175 | 68.6 | -177.2 | 69.3 | -136.8 | 3.5 | 112.6 | N825 A827 Y831 W933 | N825-R829 PolarHBondContact ND2-O 3.08Å; A827-R829 VanDerWaalsContact C-N 3.35Å; R829-Y831 VanDerWaalsContact CD-OH 3.27Å; R829-Y831 WeakPolarHBondContact CD-OH 3.41Å; R829-Y831 HydrophobicContact CG-CD1 4.48Å; R829-Y831 HydrophobicContact CG-CD2 4.2Å; R829-Y831 HydrophobicContact CG-CE1 3.87Å; R829-Y831 HydrophobicContact CG-CE2 3.55Å; R829-Y831 PolarHBondContact O-N 2.89Å; R829-W933 VanDerWaalsContact CZ-CB 3.44Å; R829-W933 PolarHBondContact NH2-O 2.62Å; R829-W933 VanDerWaalsContact NH2-O 3.09Å |
| 830 | P | 97.9 | Very high | 95.1 | Very high | 43 Ų | 43 | 22.2 Ų | 22.2 | 28% | 0.279 | 12% | 0.12 | S | C | . | . | trans | -64.5 | 132.1 | 178.9 | -17.9 | 31.7 | 0 | 0 | 0 | 111.5 | A846 V847 | P830-A846 HydrophobicContact CB-CB 4.26Å; P830-V847 WeakPolarHBondContact CA-O 3.37Å | ||
| 831 | Y | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -136.3 | 170 | 173.9 | -70.2 | -55.7 | 0 | 0 | 0 | 109.5 | A739 V784 N825 A827 R829 V847 D886 L891 W933 Y934 | A739-Y831 HydrophobicContact CB-CD2 4.28Å; V784-Y831 HydrophobicContact CB-CE2 4.22Å; V784-Y831 HydrophobicContact CG1-CE1 4.5Å; V784-Y831 HydrophobicContact CG1-CE2 4.06Å; V784-Y831 HydrophobicContact CG2-CD2 4.29Å; V784-Y831 HydrophobicContact CG2-CE2 3.77Å; N825-Y831 PolarHBondContact ND2-N 3.19Å; A827-Y831 HydrophobicContact CB-CD2 3.72Å; A827-Y831 HydrophobicContact CB-CE2 3.48Å; A827-Y831 VanDerWaalsContact CB-CE2 3.48Å; R829-Y831 VanDerWaalsContact CD-OH 3.27Å; R829-Y831 WeakPolarHBondContact CD-OH 3.41Å; R829-Y831 HydrophobicContact CG-CD1 4.48Å; R829-Y831 HydrophobicContact CG-CD2 4.2Å; R829-Y831 HydrophobicContact CG-CE1 3.87Å; R829-Y831 HydrophobicContact CG-CE2 3.55Å; R829-Y831 PolarHBondContact O-N 2.89Å; Y831-V847 PolarHBondContact N-O 2.72Å; Y831-V847 WeakPolarHBondContact O-CA 3.39Å; Y831-V847 WeakPolarHBondContact O-CB 3.42Å; Y831-V847 PolarHBondContact O-N 2.79Å; Y831-D886 HydrophobicContact CD1-CB 4.35Å; Y831-D886 HydrophobicContact CE1-CB 4.29Å; Y831-D886 VanDerWaalsContact CE1-OD1 3.26Å; Y831-D886 WeakPolarHBondContact CE1-OD1 3.44Å; Y831-L891 HydrophobicContact CD1-CD1 3.46Å; Y831-L891 VanDerWaalsContact CD1-CD1 3.46Å; Y831-L891 HydrophobicContact CD2-CD1 4.03Å; Y831-L891 HydrophobicContact CE1-CD1 3.9Å; Y831-L891 HydrophobicContact CE2-CD1 4.41Å; Y831-L891 HydrophobicContact CG-CD1 3.53Å; Y831-W933 AromaticContact CE1-CD1 3.95Å; Y831-Y934 PolarHBondContact OH-OH 2.85Å |
| 832 | S | 96.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.014 | 15% | 0.146 | C | C | . | . | trans | -135.6 | -177 | 177.4 | 64.4 | 0 | 0 | 0 | 0 | 110.9 | Y786 T845 S879 S880 | Y786-S832 PolarHBondContact OH-O 3.05Å; S832-T845 WeakPolarHBondContact CB-O 3.49Å; S832-S879 PolarHBondContact N-OG 2.69Å; S832-S879 WeakPolarHBondContact O-CB 3.46Å; S832-S879 WeakPolarHBondContact OG-CA 3.42Å; S832-S879 PolarHBondContact OG-OG 3.42Å; S832-S880 PolarHBondContact OG-N 2.77Å | ||
| 833 | I | 96.2 | Very high | 92 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | trans | -146.6 | 113.7 | 170.3 | -170.4 | 175.3 | 0 | 0 | 0 | 108.6 | I737 Y786 I821 F823 L855 W857 Y877 F878 | I737-I833 HydrophobicContact CD1-CD1 4.07Å; I737-I833 HydrophobicContact CG2-CD1 4.08Å; Y786-I833 HydrophobicContact CD1-CD1 4.37Å; Y786-I833 HydrophobicContact CE1-CB 4.14Å; Y786-I833 HydrophobicContact CE1-CD1 4.12Å; Y786-I833 HydrophobicContact CE1-CG1 4.15Å; I821-I833 HydrophobicContact CG2-CD1 4.32Å; I821-I833 HydrophobicContact CG2-CG2 4.09Å; F823-I833 HydrophobicContact CB-CG2 3.84Å; F823-I833 HydrophobicContact CD1-CG2 4.16Å; F823-I833 HydrophobicContact CD2-CB 4.26Å; F823-I833 HydrophobicContact CD2-CG2 3.88Å; F823-I833 HydrophobicContact CE2-CB 4.42Å; F823-I833 HydrophobicContact CE2-CG2 4.48Å; F823-I833 HydrophobicContact CG-CB 4.46Å; F823-I833 HydrophobicContact CG-CG2 3.69Å; I833-L855 HydrophobicContact CG2-CD1 3.6Å; I833-W857 HydrophobicContact CD1-CH2 4.21Å; I833-W857 HydrophobicContact CD1-CZ2 4.33Å; I833-W857 HydrophobicContact CG1-CH2 4.23Å; I833-W857 HydrophobicContact CG1-CZ2 4.04Å; I833-Y877 HydrophobicContact CD1-CD2 3.68Å; I833-Y877 HydrophobicContact CD1-CE2 3.84Å; I833-Y877 HydrophobicContact CG1-CD2 3.72Å; I833-Y877 HydrophobicContact CG1-CE2 4.35Å; I833-Y877 HydrophobicContact CG1-CG 4.49Å; I833-F878 CarbonylContact C-O 3.49Å; I833-F878 WeakPolarHBondContact CA-O 3.35Å | ||
| 834 | T | 94.3 | Very high | 91.1 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.4 | -174.2 | -58.3 | 0 | 0 | 0 | 0 | 108.8 | S843 Y877 F878 S880 | T834-S843 VanDerWaalsContact CG2-OG 3.28Å; T834-S843 WeakPolarHBondContact CG2-OG 3.35Å; T834-Y877 CarbonylContact O-C 3.53Å; T834-Y877 VanDerWaalsContact O-CA 3.24Å; T834-Y877 WeakPolarHBondContact O-CA 3.22Å; T834-F878 PolarHBondContact N-O 3.45Å; T834-F878 PolarHBondContact O-N 3.44Å; T834-S880 PolarHBondContact OG1-OG 2.96Å |
| 835 | P | 94.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 150.1 | 179.4 | 38 | -35.9 | 0 | 0 | 0 | 112.9 | V838 A840 W857 L895 | P835-V838 HydrophobicContact CB-CG2 3.62Å; P835-V838 HydrophobicContact CG-CG2 3.3Å; P835-A840 HydrophobicContact CG-CB 3.85Å; P835-W857 HydrophobicContact CB-CD2 4.24Å; P835-W857 HydrophobicContact CB-CE3 4.2Å; P835-W857 HydrophobicContact CB-CH2 4.2Å; P835-W857 HydrophobicContact CB-CZ2 4.22Å; P835-W857 HydrophobicContact CB-CZ3 4.18Å; P835-W857 HydrophobicContact CG-CD2 3.73Å; P835-W857 HydrophobicContact CG-CE3 4.18Å; P835-W857 HydrophobicContact CG-CG 3.96Å; P835-W857 HydrophobicContact CG-CH2 4.5Å; P835-W857 HydrophobicContact CG-CZ2 4.07Å; P835-L895 HydrophobicContact CB-CD2 3.68Å |
| 836 | H | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -69.8 | 160.6 | 156.2 | -79.5 | 85.3 | 0 | 0 | 0 | 110.7 | Y658 D672 V838 Y875 A876 F878 F1027 | Y658-H836 AromaticContact CD2-CD2 3.44Å; Y658-H836 VanDerWaalsContact CD2-CD2 3.44Å; Y658-H836 WeakPolarHBondContact CD2-CD2 3.4Å; Y658-H836 AromaticContact CD2-NE2 3.68Å; Y658-H836 AromaticContact CE2-CD2 3.21Å; Y658-H836 WeakPolarHBondContact CE2-CD2 3.43Å; Y658-H836 AromaticContact CE2-NE2 3.7Å; Y658-H836 AromaticContact CZ-CD2 3.99Å; D672-H836 IonicContact OD1-CD2 2.69Å; D672-H836 WeakPolarHBondContact OD2-CB 3.1Å; D672-H836 IonicContact OD2-CD2 3.56Å; D672-H836 PolarHBondContact OD2-CD2 3.03Å; D672-H836 IonicContact OD2-CG 2.61Å; H836-V838 PolarHBondContact O-N 2.81Å; H836-Y875 HydrophobicContact CB-CD1 4.13Å; H836-Y875 HydrophobicContact CB-CG 4.31Å; H836-A876 VanDerWaalsContact CB-O 3.3Å; H836-A876 WeakPolarHBondContact CB-O 3.38Å; H836-A876 PolarHBondContact N-O 3.41Å; H836-A876 PolarHBondContact ND1-O 3.26Å; H836-A876 VanDerWaalsContact ND1-O 3.15Å; H836-F878 AromaticContact CE1-CD1 3.68Å; H836-F878 AromaticContact CE1-CE1 3.15Å; H836-F878 WeakPolarHBondContact CE1-CE1 3.35Å; H836-F878 AromaticContact CE1-CZ 3.95Å; H836-F878 AromaticContact ND1-CD1 3.63Å; H836-F878 AromaticContact ND1-CE1 3.25Å; H836-F878 VanDerWaalsContact ND1-CE1 3.25Å; H836-F878 WeakPolarHBondContact ND1-CE1 3.47Å; H836-F1027 HydrophobicContact CB-CE2 4.23Å; H836-F1027 AromaticContact CD2-CE2 3.79Å; H836-F1027 AromaticContact CG-CE2 3.81Å |
| 837 | G | 89.6 | Confident | 90.2 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 9% | 0.093 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 73 | -28.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | T663 D672 S863 | T663-G837 WeakPolarHBondContact CG2-O 3.23Å; D672-G837 WeakPolarHBondContact OD2-CA 3.46Å; D672-G837 PolarHBondContact OD2-N 3.49Å; G837-S863 WeakPolarHBondContact O-CB 3.37Å; G837-S863 PolarHBondContact O-OG 3.08Å |
| 838 | V | 90.4 | Very high | 90.2 | Very high | 7 Ų | 7 | 35.4 Ų | 35.4 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -116.1 | 161.3 | -172.5 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | P835 H836 A840 W857 I859 L895 I897 | P835-V838 HydrophobicContact CB-CG2 3.62Å; P835-V838 HydrophobicContact CG-CG2 3.3Å; H836-V838 PolarHBondContact O-N 2.81Å; V838-A840 PolarHBondContact O-N 3.21Å; V838-W857 HydrophobicContact CG2-CB 3.99Å; V838-W857 HydrophobicContact CG2-CG 4.41Å; V838-I859 HydrophobicContact CG1-CG1 4.22Å; V838-L895 HydrophobicContact CG1-CD2 4.09Å; V838-L895 HydrophobicContact CG2-CD2 3.83Å; V838-I897 HydrophobicContact CG1-CD1 3.93Å; V838-I897 HydrophobicContact CG1-CG1 4.11Å |
| 839 | K | 86.9 | Confident | 90.3 | Very high | 73 Ų | 73 | 34.2 Ų | 34.2 | 32% | 0.317 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 110 | 179.8 | -179.1 | -166 | 175 | -160.7 | 0 | 109.7 | N690 W857 D858 | N690-K839 WeakPolarHBondContact OD1-CD 3.39Å; K839-W857 CarbonylContact O-C 3.55Å; K839-W857 WeakPolarHBondContact O-CA 3.39Å; K839-D858 HydrophobicContact CB-CB 4.29Å; K839-D858 HydrophobicContact CD-CB 4.43Å; K839-D858 PolarHBondContact N-O 2.82Å; K839-D858 IonicContact NZ-OD2 3.52Å; K839-D858 PolarHBondContact O-N 3.25Å |
| 840 | A | 86.7 | Confident | 90.2 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P835 V838 T856 W857 | P835-A840 HydrophobicContact CG-CB 3.85Å; V838-A840 PolarHBondContact O-N 3.21Å; A840-T856 CarbonylContact C-O 3.53Å; A840-W857 VanDerWaalsContact CB-CD1 3.48Å; A840-W857 HydrophobicContact CB-CG 4.36Å |
| 841 | S | 83.6 | Confident | 90.2 | Very high | 45 Ų | 45 | 37.4 Ų | 37.4 | 32% | 0.315 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 141.2 | 163.8 | 69.9 | 0 | 0 | 0 | 0 | 109.8 | S843 L855 T856 | S841-S843 PolarHBondContact O-N 3.41Å; S841-L855 WeakPolarHBondContact O-CD2 3.38Å; S841-T856 VanDerWaalsContact CB-OG1 3.27Å; S841-T856 WeakPolarHBondContact CB-OG1 3.1Å; S841-T856 PolarHBondContact N-O 3.21Å; S841-T856 PolarHBondContact OG-N 3.2Å; S841-T856 PolarHBondContact OG-O 3.46Å; S841-T856 PolarHBondContact OG-OG1 3Å |
| 842 | G | 70.4 | Confident | 90.1 | Very high | 36 Ų | 36 | 41.6 Ų | 41.6 | 37% | 0.371 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 24.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H844 T845 | G842-H844 PolarHBondContact O-N 2.78Å; G842-T845 VanDerWaalsContact CA-OG1 3.31Å; G842-T845 WeakPolarHBondContact CA-OG1 3.42Å; G842-T845 WeakPolarHBondContact O-CB 3.35Å; G842-T845 PolarHBondContact O-N 3.02Å; G842-T845 PolarHBondContact O-OG1 3.42Å |
| 843 | S | 70.4 | Confident | 90 | Very high | 39 Ų | 39 | 43.3 Ų | 43.3 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.4 | 137 | 164.7 | -166.7 | 0 | 0 | 0 | 0 | 109.3 | T834 S841 T845 | T834-S843 VanDerWaalsContact CG2-OG 3.28Å; T834-S843 WeakPolarHBondContact CG2-OG 3.35Å; S841-S843 PolarHBondContact O-N 3.41Å; S843-T845 PolarHBondContact O-N 2.89Å |
| 844 | H | 77.4 | Confident | 90 | Very high | 99 Ų | 99 | 48.2 Ų | 48.2 | 46% | 0.458 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 14.6 | -175 | -46.8 | -62.7 | 0 | 0 | 0 | 116.2 | E660 G842 A846 S880 | E660-H844 IonicContact OE1-CD2 3.4Å; E660-H844 IonicContact OE1-CE1 3.71Å; E660-H844 IonicContact OE1-NE2 3.47Å; E660-H844 PolarHBondContact OE1-NE2 3.26Å; E660-H844 IonicContact OE2-NE2 3.12Å; G842-H844 PolarHBondContact O-N 2.78Å; H844-A846 PolarHBondContact O-N 3.18Å; H844-S880 WeakPolarHBondContact CA-OG 3.17Å; H844-S880 PolarHBondContact N-OG 3.31Å; H844-S880 WeakPolarHBondContact ND1-CB 3.34Å; H844-S880 PolarHBondContact ND1-OG 2.8Å |
| 845 | T | 85.9 | Confident | 90 | Very high | 65 Ų | 65 | 48.4 Ų | 48.4 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | trans | -81.6 | 106 | 174 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | S832 G842 S843 V847 | S832-T845 WeakPolarHBondContact CB-O 3.49Å; G842-T845 VanDerWaalsContact CA-OG1 3.31Å; G842-T845 WeakPolarHBondContact CA-OG1 3.42Å; G842-T845 WeakPolarHBondContact O-CB 3.35Å; G842-T845 PolarHBondContact O-N 3.02Å; G842-T845 PolarHBondContact O-OG1 3.42Å; S843-T845 PolarHBondContact O-N 2.89Å; T845-V847 PolarHBondContact O-N 2.63Å | ||
| 846 | A | 93.4 | Very high | 89.9 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 37% | 0.372 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 125.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P830 H844 V881 | P830-A846 HydrophobicContact CB-CB 4.26Å; H844-A846 PolarHBondContact O-N 3.18Å; A846-V881 HydrophobicContact CB-CG1 4.38Å; A846-V881 HydrophobicContact CB-CG2 3.72Å |
| 847 | V | 96.2 | Very high | 89.9 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -101.7 | 117.2 | 179.7 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | F823 N825 P830 Y831 T845 H851 V853 | F823-V847 HydrophobicContact CD1-CB 4.15Å; F823-V847 HydrophobicContact CD1-CG1 4.3Å; F823-V847 HydrophobicContact CD1-CG2 3.88Å; F823-V847 HydrophobicContact CE1-CB 4.01Å; F823-V847 HydrophobicContact CE1-CG1 4.41Å; F823-V847 HydrophobicContact CE1-CG2 4.1Å; N825-V847 HydrophobicContact CB-CB 4.35Å; N825-V847 HydrophobicContact CB-CG1 4.01Å; N825-V847 PolarHBondContact ND2-O 2.86Å; P830-V847 WeakPolarHBondContact CA-O 3.37Å; Y831-V847 PolarHBondContact N-O 2.72Å; Y831-V847 WeakPolarHBondContact O-CA 3.39Å; Y831-V847 WeakPolarHBondContact O-CB 3.42Å; Y831-V847 PolarHBondContact O-N 2.79Å; T845-V847 PolarHBondContact O-N 2.63Å; V847-H851 HydrophobicContact CG1-CB 4.14Å; V847-V853 HydrophobicContact CG1-CG1 4.36Å; V847-V853 HydrophobicContact CG2-CB 4.18Å; V847-V853 HydrophobicContact CG2-CG1 3.46Å; V847-V853 VanDerWaalsContact CG2-CG1 3.46Å |
| 848 | Q | 97.8 | Very high | 90.1 | Very high | 100 Ų | 100 | 50.8 Ų | 50.8 | 47% | 0.467 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 151.4 | -178.2 | -64.7 | -62.5 | -36 | 0 | 0 | 111.8 | G850 H851 | Q848-G850 PolarHBondContact O-N 2.86Å; Q848-H851 WeakPolarHBondContact O-CB 3.39Å; Q848-H851 PolarHBondContact O-N 3.26Å; Q848-H851 VanDerWaalsContact O-N 3.08Å |
| 849 | P | 97.9 | Very high | 90.2 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | 135.6 | 173.5 | -32.2 | 38.7 | 0 | 0 | 0 | 113 | A827 S828 H851 | A827-P849 WeakPolarHBondContact O-CB 3.27Å; S828-P849 WeakPolarHBondContact O-CG 3.46Å; P849-H851 PolarHBondContact O-N 2.88Å; P849-H851 PolarHBondContact O-ND1 3.33Å |
| 850 | G | 96.1 | Very high | 90.4 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 58% | 0.577 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -10.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | N825 Q848 | N825-G850 WeakPolarHBondContact O-CA 3.32Å; N825-G850 PolarHBondContact O-N 3.5Å; Q848-G850 PolarHBondContact O-N 2.86Å |
| 851 | H | 96.8 | Very high | 90.6 | Very high | 116 Ų | 116 | 53.6 Ų | 53.6 | 54% | 0.537 | 32% | 0.32 | S | S | . | . | trans | -86.7 | 157 | -177.4 | -67.2 | 68 | 0 | 0 | 0 | 112.3 | K824 N825 V847 Q848 P849 | K824-H851 WeakPolarHBondContact CA-O 3.45Å; N825-H851 PolarHBondContact N-O 3Å; N825-H851 VanDerWaalsContact N-O 3.11Å; V847-H851 HydrophobicContact CG1-CB 4.14Å; Q848-H851 WeakPolarHBondContact O-CB 3.39Å; Q848-H851 PolarHBondContact O-N 3.26Å; Q848-H851 VanDerWaalsContact O-N 3.08Å; P849-H851 PolarHBondContact O-N 2.88Å; P849-H851 PolarHBondContact O-ND1 3.33Å | ||
| 852 | I | 96.2 | Very high | 90.9 | Very high | 88 Ų | 88 | 53.4 Ų | 53.4 | 45% | 0.451 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.1 | 175.2 | -59.3 | 172.7 | 0 | 0 | 0 | 107.7 | F794 V822 F823 K824 | F794-I852 HydrophobicContact CD2-CD1 4.21Å; F794-I852 HydrophobicContact CE2-CD1 3.93Å; F794-I852 HydrophobicContact CE2-CG1 4.36Å; V822-I852 HydrophobicContact CG1-CG2 3.67Å; F823-I852 CarbonylContact O-C 3.49Å; F823-I852 VanDerWaalsContact O-CA 3.29Å; F823-I852 WeakPolarHBondContact O-CA 3.41Å; K824-I852 HydrophobicContact CB-CG1 3.93Å; K824-I852 HydrophobicContact CD-CD1 4.12Å; K824-I852 HydrophobicContact CD-CG1 3.98Å; K824-I852 HydrophobicContact CG-CD1 4.46Å; K824-I852 HydrophobicContact CG-CG1 3.78Å |
| 853 | V | 95.3 | Very high | 92 | Very high | 38 Ų | 38 | 51.9 Ų | 51.9 | 23% | 0.23 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 149.4 | 171.1 | 70.7 | 0 | 0 | 0 | 0 | 109.5 | F823 V847 L855 | F823-V853 HydrophobicContact CB-CG1 4.1Å; F823-V853 HydrophobicContact CD1-CG1 4.26Å; F823-V853 PolarHBondContact N-O 2.93Å; F823-V853 PolarHBondContact O-N 3.26Å; V847-V853 HydrophobicContact CG1-CG1 4.36Å; V847-V853 HydrophobicContact CG2-CB 4.18Å; V847-V853 HydrophobicContact CG2-CG1 3.46Å; V847-V853 VanDerWaalsContact CG2-CG1 3.46Å; V853-L855 HydrophobicContact CG1-CD1 4.19Å; V853-L855 HydrophobicContact CG1-CD2 4.18Å; V853-L855 HydrophobicContact CG1-CG 3.98Å; V853-L855 HydrophobicContact CG2-CD2 3.97Å; V853-L855 HydrophobicContact CG2-CG 4.47Å |
| 854 | E | 94.9 | Very high | 93.1 | Very high | 108 Ų | 108 | 50 Ų | 50 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.7 | 169.1 | -65.9 | -162.6 | 142.3 | 0 | 0 | 109.1 | K734 L820 I821 V822 | K734-E854 IonicContact NZ-OE1 3.75Å; K734-E854 PolarHBondContact NZ-OE1 3.29Å; K734-E854 VanDerWaalsContact NZ-OE1 3.08Å; L820-E854 HydrophobicContact CD1-CB 4.1Å; I821-E854 WeakPolarHBondContact O-CA 3.34Å; V822-E854 HydrophobicContact CG1-CG 4.49Å; V822-E854 HydrophobicContact CG2-CG 4.23Å |
| 855 | L | 94.2 | Very high | 94 | Very high | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137 | -179.8 | -54.7 | 170.3 | 0 | 0 | 0 | 109.2 | L820 I821 I833 S841 V853 | L820-L855 CarbonylContact C-O 3.53Å; L820-L855 WeakPolarHBondContact CA-O 3.33Å; I821-L855 HydrophobicContact CB-CB 4.44Å; I821-L855 PolarHBondContact N-O 3.16Å; I821-L855 PolarHBondContact O-N 3.34Å; I833-L855 HydrophobicContact CG2-CD1 3.6Å; S841-L855 WeakPolarHBondContact O-CD2 3.38Å; V853-L855 HydrophobicContact CG1-CD1 4.19Å; V853-L855 HydrophobicContact CG1-CD2 4.18Å; V853-L855 HydrophobicContact CG1-CG 3.98Å; V853-L855 HydrophobicContact CG2-CD2 3.97Å; V853-L855 HydrophobicContact CG2-CG 4.47Å |
| 856 | T | 94.1 | Very high | 94.4 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.4 | 175.7 | 57.1 | 0 | 0 | 0 | 0 | 110.7 | Q818 I819 L820 A840 S841 | Q818-T856 HydrophobicContact CG-CG2 4.47Å; I819-T856 CarbonylContact O-C 3.52Å; I819-T856 WeakPolarHBondContact O-CA 3.46Å; L820-T856 HydrophobicContact CD1-CG2 4.04Å; A840-T856 CarbonylContact C-O 3.53Å; S841-T856 VanDerWaalsContact CB-OG1 3.27Å; S841-T856 WeakPolarHBondContact CB-OG1 3.1Å; S841-T856 PolarHBondContact N-O 3.21Å; S841-T856 PolarHBondContact OG-N 3.2Å; S841-T856 PolarHBondContact OG-O 3.46Å; S841-T856 PolarHBondContact OG-OG1 3Å |
| 857 | W | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.9 | 171.1 | -50.9 | -21.1 | 0 | 0 | 0 | 109.2 | I811 Q818 I819 I821 I833 P835 V838 K839 A840 Y877 L895 | I811-W857 HydrophobicContact CD1-CH2 3.77Å; I811-W857 HydrophobicContact CD1-CZ3 3.63Å; I811-W857 HydrophobicContact CG2-CZ3 4.19Å; Q818-W857 CarbonylContact C-O 3.5Å; Q818-W857 WeakPolarHBondContact CA-O 3.48Å; I819-W857 HydrophobicContact CB-CB 4.2Å; I819-W857 HydrophobicContact CB-CE3 4.3Å; I819-W857 HydrophobicContact CD1-CE3 4.24Å; I819-W857 HydrophobicContact CG2-CE3 4.02Å; I819-W857 PolarHBondContact N-O 2.57Å; I819-W857 PolarHBondContact O-N 2.61Å; I821-W857 HydrophobicContact CD1-CD2 4.5Å; I821-W857 HydrophobicContact CD1-CE3 4.16Å; I821-W857 HydrophobicContact CD1-CH2 4.02Å; I821-W857 HydrophobicContact CD1-CZ2 4.36Å; I821-W857 HydrophobicContact CD1-CZ3 3.91Å; I821-W857 HydrophobicContact CG1-CD2 3.81Å; I821-W857 HydrophobicContact CG1-CE3 3.96Å; I821-W857 HydrophobicContact CG1-CH2 3.75Å; I821-W857 HydrophobicContact CG1-CZ2 3.57Å; I821-W857 HydrophobicContact CG1-CZ3 3.93Å; I833-W857 HydrophobicContact CD1-CH2 4.21Å; I833-W857 HydrophobicContact CD1-CZ2 4.33Å; I833-W857 HydrophobicContact CG1-CH2 4.23Å; I833-W857 HydrophobicContact CG1-CZ2 4.04Å; P835-W857 HydrophobicContact CB-CD2 4.24Å; P835-W857 HydrophobicContact CB-CE3 4.2Å; P835-W857 HydrophobicContact CB-CH2 4.2Å; P835-W857 HydrophobicContact CB-CZ2 4.22Å; P835-W857 HydrophobicContact CB-CZ3 4.18Å; P835-W857 HydrophobicContact CG-CD2 3.73Å; P835-W857 HydrophobicContact CG-CE3 4.18Å; P835-W857 HydrophobicContact CG-CG 3.96Å; P835-W857 HydrophobicContact CG-CH2 4.5Å; P835-W857 HydrophobicContact CG-CZ2 4.07Å; V838-W857 HydrophobicContact CG2-CB 3.99Å; V838-W857 HydrophobicContact CG2-CG 4.41Å; K839-W857 CarbonylContact O-C 3.55Å; K839-W857 WeakPolarHBondContact O-CA 3.39Å; A840-W857 VanDerWaalsContact CB-CD1 3.48Å; A840-W857 HydrophobicContact CB-CG 4.36Å; W857-Y877 HydrophobicContact CH2-CG 4.24Å; W857-L895 HydrophobicContact CE3-CD1 4.46Å; W857-L895 HydrophobicContact CZ3-CD1 4.28Å |
| 858 | D | 92.3 | Very high | 94.1 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 12% | 0.118 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.2 | 174.9 | -54.5 | -46.4 | 0 | 0 | 0 | 109.4 | H726 Q818 K839 P860 | H726-D858 IonicContact CE1-OD1 2.8Å; H726-D858 IonicContact CE1-OD2 2.64Å; H726-D858 PolarHBondContact CE1-OD2 2.59Å; H726-D858 IonicContact ND1-OD2 3.79Å; Q818-D858 PolarHBondContact NE2-OD1 2.79Å; K839-D858 HydrophobicContact CB-CB 4.29Å; K839-D858 HydrophobicContact CD-CB 4.43Å; K839-D858 PolarHBondContact N-O 2.82Å; K839-D858 IonicContact NZ-OD2 3.52Å; K839-D858 PolarHBondContact O-N 3.25Å; D858-P860 VanDerWaalsContact C-CD 3.43Å; D858-P860 WeakPolarHBondContact O-CD 3.44Å |
| 859 | I | 93.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | trans | -105.5 | 84.2 | 176.9 | -53.7 | 168.6 | 0 | 0 | 0 | 109 | V815 G816 E817 I819 V838 I897 | V815-I859 HydrophobicContact CG2-CG2 4.43Å; G816-I859 PolarHBondContact N-O 3.05Å; E817-I859 HydrophobicContact CB-CD1 4.49Å; E817-I859 PolarHBondContact O-N 3.33Å; E817-I859 VanDerWaalsContact O-N 3.1Å; I819-I859 HydrophobicContact CD1-CD1 3.72Å; I819-I859 HydrophobicContact CD1-CG1 4.44Å; I819-I859 HydrophobicContact CG1-CD1 3.95Å; V838-I859 HydrophobicContact CG1-CG1 4.22Å; I859-I897 HydrophobicContact CD1-CD1 3.75Å; I859-I897 HydrophobicContact CG1-CD1 4.06Å; I859-I897 HydrophobicContact CG2-CD1 4.22Å; I859-I897 HydrophobicContact CG2-CG2 3.54Å | ||
| 860 | P | 90.9 | Very high | 93.8 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 29% | 0.286 | 26% | 0.259 | S | S | . | . | trans | -70.5 | 165.1 | 174.8 | 32.2 | -37.2 | 0 | 0 | 0 | 111.2 | D858 S862 S863 | D858-P860 VanDerWaalsContact C-CD 3.43Å; D858-P860 WeakPolarHBondContact O-CD 3.44Å; P860-S862 WeakPolarHBondContact CG-OG 3.42Å; P860-S862 PolarHBondContact O-N 3.01Å; P860-S863 WeakPolarHBondContact CD-OG 3.28Å; P860-S863 VanDerWaalsContact CG-OG 3.25Å; P860-S863 WeakPolarHBondContact CG-OG 3.22Å; P860-S863 WeakPolarHBondContact O-CB 3.48Å; P860-S863 PolarHBondContact O-N 2.95Å | ||
| 861 | V | 90.8 | Very high | 93.7 | Very high | 117 Ų | 117 | 44.7 Ų | 44.7 | 71% | 0.709 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -56.5 | -33.3 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | V815 S863 G864 | V815-V861 HydrophobicContact CG1-CB 4.21Å; V815-V861 HydrophobicContact CG1-CG2 3.79Å; V861-S863 PolarHBondContact O-N 2.9Å; V861-G864 PolarHBondContact O-N 2.72Å |
| 862 | S | 90.8 | Very high | 93.7 | Very high | 41 Ų | 41 | 39.1 Ų | 39.1 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -64.1 | -27.3 | 177.1 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | T663 T670 P860 | T663-S862 PolarHBondContact OG1-O 3.4Å; T670-S862 WeakPolarHBondContact CG2-O 3.49Å; P860-S862 WeakPolarHBondContact CG-OG 3.42Å; P860-S862 PolarHBondContact O-N 3.01Å |
| 863 | S | 93 | Very high | 93.7 | Very high | 5 Ų | 5 | 35.2 Ų | 35.2 | 4% | 0.035 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -87 | -15.3 | -179 | -61.5 | 0 | 0 | 0 | 0 | 113.5 | G837 P860 V861 Y875 | G837-S863 WeakPolarHBondContact O-CB 3.37Å; G837-S863 PolarHBondContact O-OG 3.08Å; P860-S863 WeakPolarHBondContact CD-OG 3.28Å; P860-S863 VanDerWaalsContact CG-OG 3.25Å; P860-S863 WeakPolarHBondContact CG-OG 3.22Å; P860-S863 WeakPolarHBondContact O-CB 3.48Å; P860-S863 PolarHBondContact O-N 2.95Å; V861-S863 PolarHBondContact O-N 2.9Å; S863-Y875 VanDerWaalsContact O-CE2 3.3Å; S863-Y875 WeakPolarHBondContact O-CE2 3.46Å; S863-Y875 PolarHBondContact O-OH 3.48Å |
| 864 | G | 93.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -90.1 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T670 V861 | T670-G864 WeakPolarHBondContact CB-O 3.25Å; T670-G864 PolarHBondContact OG1-O 3.08Å; V861-G864 PolarHBondContact O-N 2.72Å |
| 865 | P | 95.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 28.8 Ų | 28.8 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | trans | -57.7 | 138.4 | 173 | -21 | 30.6 | 0 | 0 | 0 | 112.4 | D869 P870 I873 I897 R899 | P865-D869 HydrophobicContact CB-CB 3.7Å; P865-P870 VanDerWaalsContact CB-O 3.28Å; P865-P870 WeakPolarHBondContact CB-O 3.25Å; P865-I873 HydrophobicContact CB-CG2 4.19Å; P865-I873 HydrophobicContact CG-CD1 4.47Å; P865-I873 HydrophobicContact CG-CG1 4.05Å; P865-I873 HydrophobicContact CG-CG2 4.11Å; P865-I897 WeakPolarHBondContact CD-O 3.25Å; P865-I897 WeakPolarHBondContact CG-O 3.45Å; P865-R899 HydrophobicContact CB-CG 4.06Å; P865-R899 HydrophobicContact CG-CG 4.12Å | ||
| 866 | T | 94 | Very high | 94 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 17% | 0.172 | 17% | 0.166 | C | C | . | . | trans | -73.9 | -156.6 | 167.8 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | K665 S668 T670 S868 D869 R899 | K665-T866 HydrophobicContact CD-CG2 3.79Å; K665-T866 VanDerWaalsContact CE-CG2 3.47Å; K665-T866 VanDerWaalsContact NZ-CG2 3.28Å; S668-T866 VanDerWaalsContact O-CB 3.25Å; S668-T866 WeakPolarHBondContact O-CB 3.38Å; S668-T866 WeakPolarHBondContact O-CG2 3.4Å; S668-T866 PolarHBondContact O-OG1 2.7Å; T670-T866 VanDerWaalsContact OG1-CG2 3.3Å; T670-T866 WeakPolarHBondContact OG1-CG2 3.49Å; T866-S868 PolarHBondContact OG1-N 3.38Å; T866-D869 WeakPolarHBondContact CB-OD2 3.35Å; T866-D869 WeakPolarHBondContact CG2-OD2 3.37Å; T866-D869 PolarHBondContact N-OD2 2.78Å; T866-D869 PolarHBondContact OG1-N 3.39Å; T866-D869 PolarHBondContact OG1-OD2 3.08Å; T866-R899 PolarHBondContact O-NE 2.99Å; T866-R899 PolarHBondContact O-NH2 2.87Å | ||
| 867 | I | 91.7 | Very high | 94.2 | Very high | 166 Ų | 166 | 26.4 Ų | 26.4 | 85% | 0.851 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -83.4 | -33 | 169.5 | -63.3 | 167.8 | 0 | 0 | 0 | 110.6 | R899 | I867-R899 PolarHBondContact O-NH2 2.94Š|
| 868 | S | 92.6 | Very high | 94.3 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 22% | 0.217 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -77.7 | -29.3 | -179.2 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | T866 R1010 M1011 D1012 | T866-S868 PolarHBondContact OG1-N 3.38Å; S868-R1010 WeakPolarHBondContact O-CB 3.41Å; S868-M1011 VanDerWaalsContact CB-O 3.3Å; S868-M1011 WeakPolarHBondContact CB-O 3.24Å; S868-D1012 PolarHBondContact OG-O 3.05Å |
| 869 | D | 94.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -61.5 | 163.9 | 175.7 | -74.8 | -66.1 | 0 | 0 | 0 | 113.3 | T669 T670 R671 P865 T866 I873 R899 | T669-D869 WeakPolarHBondContact CA-OD2 3.33Å; T669-D869 VanDerWaalsContact CB-OD1 3.29Å; T669-D869 WeakPolarHBondContact CB-OD1 3.45Å; T670-D869 PolarHBondContact N-OD2 2.89Å; R671-D869 IonicContact CZ-OD1 2.66Å; R671-D869 IonicContact NH1-OD1 2.89Å; R671-D869 PolarHBondContact NH1-OD1 2.92Å; P865-D869 HydrophobicContact CB-CB 3.7Å; T866-D869 WeakPolarHBondContact CB-OD2 3.35Å; T866-D869 WeakPolarHBondContact CG2-OD2 3.37Å; T866-D869 PolarHBondContact N-OD2 2.78Å; T866-D869 PolarHBondContact OG1-N 3.39Å; T866-D869 PolarHBondContact OG1-OD2 3.08Å; D869-I873 HydrophobicContact CB-CG2 3.8Å; D869-R899 PolarHBondContact O-NH1 3.11Å; D869-R899 PolarHBondContact O-NH2 3.31Å |
| 870 | P | 94.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | trans | -66.4 | 174.6 | 165.2 | 25.7 | -30.7 | 0 | 0 | 0 | 112.1 | P865 C872 I873 R899 T1029 | P865-P870 VanDerWaalsContact CB-O 3.28Å; P865-P870 WeakPolarHBondContact CB-O 3.25Å; P870-C872 WeakPolarHBondContact CG-O 3.43Å; P870-C872 PolarHBondContact O-N 2.55Å; P870-I873 HydrophobicContact CG-CG2 4.26Å; P870-R899 VanDerWaalsContact C-NH1 3.3Å; P870-R899 PolarHBondContact O-NH1 3.31Å; P870-R899 PolarHBondContact O-NH2 2.68Å; P870-T1029 HydrophobicContact CG-CG2 4.24Å | ||
| 871 | N | 95.2 | Very high | 94.7 | Very high | 59 Ų | 59 | 27.2 Ų | 27.2 | 32% | 0.316 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -61.1 | -26.7 | 179.6 | -80 | -23.9 | 0 | 0 | 0 | 113.8 | C898 R899 T902 D915 | N871-C898 CarbonylContact O-C 3.15Å; N871-C898 WeakPolarHBondContact O-CA 3.26Å; N871-R899 VanDerWaalsContact CA-NH1 3.26Å; N871-R899 PolarHBondContact O-N 2.74Å; N871-R899 PolarHBondContact OD1-NH1 2.03Å; N871-T902 HydrophobicContact CB-CG2 4.13Å; N871-D915 VanDerWaalsContact CB-OD2 3.31Å; N871-D915 WeakPolarHBondContact CB-OD2 3.19Å; N871-D915 PolarHBondContact ND2-OD2 2.78Å |
| 872 | C | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 136.4 | 173.1 | -53 | 0 | 0 | 0 | 0 | 110.2 | P870 V896 I897 C898 R913 T1029 | P870-C872 WeakPolarHBondContact CG-O 3.43Å; P870-C872 PolarHBondContact O-N 2.55Å; C872-V896 HydrophobicContact CB-CG1 3.62Å; C872-I897 CarbonylContact C-O 3.58Å; C872-I897 VanDerWaalsContact CA-O 3.26Å; C872-I897 WeakPolarHBondContact CA-O 3.3Å; C872-C898 HydrophobicContact CB-CB 4.07Å; C872-C898 WeakPolarHBondContact CB-SG 3.39Å; C872-C898 WeakPolarHBondContact SG-CB 3.14Å; C872-C898 CovalentContact SG-SG 2.03Å; C872-C898 PolarHBondContact SG-SG 2.98Å; C872-R913 VanDerWaalsContact SG-CD 3.58Å; C872-R913 VanDerWaalsContact SG-CZ 3.55Å; C872-R913 PolarHBondContact SG-NE 3.36Å; C872-T1029 PolarHBondContact O-OG1 2.84Å |
| 873 | I | 96.3 | Very high | 95 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 3% | 0.031 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 156 | 173.1 | 60.7 | 178.6 | 0 | 0 | 0 | 109.8 | T670 P865 D869 P870 Y875 I897 | T670-I873 HydrophobicContact CG2-CD1 4.18Å; P865-I873 HydrophobicContact CB-CG2 4.19Å; P865-I873 HydrophobicContact CG-CD1 4.47Å; P865-I873 HydrophobicContact CG-CG1 4.05Å; P865-I873 HydrophobicContact CG-CG2 4.11Å; D869-I873 HydrophobicContact CB-CG2 3.8Å; P870-I873 HydrophobicContact CG-CG2 4.26Å; I873-Y875 HydrophobicContact CD1-CE2 3.91Å; I873-Y875 WeakPolarHBondContact CD1-OH 3.37Å; I873-Y875 HydrophobicContact CG1-CE2 4.1Å; I873-I897 HydrophobicContact CG1-CB 4.35Å; I873-I897 PolarHBondContact N-O 2.66Å; I873-I897 PolarHBondContact O-N 2.83Å |
| 874 | T | 96.4 | Very high | 95.1 | Very high | 7 Ų | 7 | 23.4 Ų | 23.4 | 4% | 0.043 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 140.5 | -176.5 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | P894 L895 Y987 L989 F1027 T1029 | T874-P894 HydrophobicContact CG2-CB 4.47Å; T874-L895 CarbonylContact C-O 3.46Å; T874-L895 WeakPolarHBondContact CA-O 3.42Å; T874-Y987 HydrophobicContact CG2-CG 4.49Å; T874-Y987 WeakPolarHBondContact OG1-CD1 3.35Å; T874-L989 HydrophobicContact CG2-CD2 4.26Å; T874-L989 HydrophobicContact CG2-CG 4.42Å; T874-F1027 VanDerWaalsContact O-CB 3.26Å; T874-F1027 WeakPolarHBondContact O-CB 3.46Å; T874-T1029 PolarHBondContact OG1-OG1 2.9Å |
| 875 | Y | 97.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 1% | 0.012 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 172.1 | 166.3 | -63.3 | -68.1 | 0 | 0 | 0 | 108.8 | T670 H836 S863 I873 L895 I897 | T670-Y875 VanDerWaalsContact CG2-OH 3.28Å; T670-Y875 WeakPolarHBondContact CG2-OH 3.42Å; H836-Y875 HydrophobicContact CB-CD1 4.13Å; H836-Y875 HydrophobicContact CB-CG 4.31Å; S863-Y875 VanDerWaalsContact O-CE2 3.3Å; S863-Y875 WeakPolarHBondContact O-CE2 3.46Å; S863-Y875 PolarHBondContact O-OH 3.48Å; I873-Y875 HydrophobicContact CD1-CE2 3.91Å; I873-Y875 WeakPolarHBondContact CD1-OH 3.37Å; I873-Y875 HydrophobicContact CG1-CE2 4.1Å; Y875-L895 PolarHBondContact N-O 3.07Å; Y875-L895 PolarHBondContact O-N 2.78Å; Y875-I897 HydrophobicContact CD2-CG1 3.78Å; Y875-I897 HydrophobicContact CE2-CB 4.31Å; Y875-I897 HydrophobicContact CE2-CG1 3.87Å |
| 876 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 151.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H836 L892 G893 L989 F1027 | H836-A876 VanDerWaalsContact CB-O 3.3Å; H836-A876 WeakPolarHBondContact CB-O 3.38Å; H836-A876 PolarHBondContact N-O 3.41Å; H836-A876 PolarHBondContact ND1-O 3.26Å; H836-A876 VanDerWaalsContact ND1-O 3.15Å; A876-L892 HydrophobicContact CB-CD1 4.42Å; A876-G893 CarbonylContact C-O 3.19Å; A876-G893 WeakPolarHBondContact CA-O 3.39Å; A876-L989 HydrophobicContact CB-CD2 4.05Å; A876-F1027 HydrophobicContact CB-CD1 4.33Å; A876-F1027 HydrophobicContact CB-CE1 3.6Å; A876-F1027 HydrophobicContact CB-CE2 4.18Å; A876-F1027 HydrophobicContact CB-CZ 3.51Å |
| 877 | Y | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 145.5 | 162.1 | 66.6 | -93.8 | 0 | 0 | 0 | 110.2 | Y786 G808 P809 I811 I833 T834 W857 L892 G893 P894 L895 | Y786-Y877 HydrophobicContact CD2-CD2 4.08Å; Y786-Y877 AromaticContact CD2-CE2 3.52Å; Y786-Y877 HydrophobicContact CD2-CE2 3.52Å; Y786-Y877 AromaticContact CE2-CD2 3.93Å; Y786-Y877 HydrophobicContact CE2-CD2 3.93Å; Y786-Y877 AromaticContact CE2-CE2 3.87Å; Y786-Y877 HydrophobicContact CE2-CE2 3.87Å; Y786-Y877 HydrophobicContact CG-CE2 4.01Å; G808-Y877 VanDerWaalsContact C-OH 3.24Å; G808-Y877 VanDerWaalsContact CA-OH 3.26Å; G808-Y877 WeakPolarHBondContact CA-OH 3.44Å; P809-Y877 WeakPolarHBondContact CD-OH 3.47Å; P809-Y877 WeakPolarHBondContact CG-OH 3.49Å; P809-Y877 WeakPolarHBondContact O-CE1 3.38Å; P809-Y877 PolarHBondContact O-OH 3.41Å; I811-Y877 HydrophobicContact CB-CE1 4.42Å; I811-Y877 HydrophobicContact CD1-CD1 3.76Å; I811-Y877 HydrophobicContact CD1-CE1 3.42Å; I811-Y877 VanDerWaalsContact CD1-CE1 3.42Å; I811-Y877 HydrophobicContact CD1-CE2 4.31Å; I811-Y877 HydrophobicContact CD1-CG 4.32Å; I811-Y877 HydrophobicContact CG1-CD1 4.39Å; I811-Y877 HydrophobicContact CG1-CE1 3.73Å; I833-Y877 HydrophobicContact CD1-CD2 3.68Å; I833-Y877 HydrophobicContact CD1-CE2 3.84Å; I833-Y877 HydrophobicContact CG1-CD2 3.72Å; I833-Y877 HydrophobicContact CG1-CE2 4.35Å; I833-Y877 HydrophobicContact CG1-CG 4.49Å; T834-Y877 CarbonylContact O-C 3.53Å; T834-Y877 VanDerWaalsContact O-CA 3.24Å; T834-Y877 WeakPolarHBondContact O-CA 3.22Å; W857-Y877 HydrophobicContact CH2-CG 4.24Å; Y877-L892 CarbonylContact O-C 3.57Å; Y877-L892 WeakPolarHBondContact O-CA 3.3Å; Y877-G893 VanDerWaalsContact CD1-C 3.49Å; Y877-G893 WeakPolarHBondContact CD1-O 3.48Å; Y877-G893 WeakPolarHBondContact CE1-O 3.47Å; Y877-G893 PolarHBondContact N-O 3.09Å; Y877-G893 PolarHBondContact O-N 2.86Å; Y877-P894 WeakPolarHBondContact CE1-O 3.48Å; Y877-L895 HydrophobicContact CD1-CB 4.26Å |
| 878 | F | 96.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 15.7 Ų | 15.7 | 3% | 0.026 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 175.2 | -169.9 | 62 | -78.5 | 0 | 0 | 0 | 110.2 | Y786 I833 T834 H836 Y883 L891 | Y786-F878 VanDerWaalsContact OH-C 3.26Å; I833-F878 CarbonylContact C-O 3.49Å; I833-F878 WeakPolarHBondContact CA-O 3.35Å; T834-F878 PolarHBondContact N-O 3.45Å; T834-F878 PolarHBondContact O-N 3.44Å; H836-F878 AromaticContact CE1-CD1 3.68Å; H836-F878 AromaticContact CE1-CE1 3.15Å; H836-F878 WeakPolarHBondContact CE1-CE1 3.35Å; H836-F878 AromaticContact CE1-CZ 3.95Å; H836-F878 AromaticContact ND1-CD1 3.63Å; H836-F878 AromaticContact ND1-CE1 3.25Å; H836-F878 VanDerWaalsContact ND1-CE1 3.25Å; H836-F878 WeakPolarHBondContact ND1-CE1 3.47Å; F878-Y883 AromaticContact CD2-CD2 3.68Å; F878-Y883 HydrophobicContact CD2-CD2 3.68Å; F878-Y883 HydrophobicContact CD2-CE2 4.03Å; F878-Y883 AromaticContact CE2-CD2 3.51Å; F878-Y883 HydrophobicContact CE2-CD2 3.51Å; F878-Y883 AromaticContact CE2-CE2 3.93Å; F878-Y883 HydrophobicContact CE2-CE2 3.93Å; F878-Y883 HydrophobicContact CZ-CD2 4.46Å; F878-L891 WeakPolarHBondContact CA-O 3.48Å |
| 879 | S | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | trans | -91.1 | 132.2 | 171.6 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | Y786 S832 D886 | Y786-S879 PolarHBondContact OH-N 3.22Å; S832-S879 PolarHBondContact N-OG 2.69Å; S832-S879 WeakPolarHBondContact O-CB 3.46Å; S832-S879 WeakPolarHBondContact OG-CA 3.42Å; S832-S879 PolarHBondContact OG-OG 3.42Å; S879-D886 VanDerWaalsContact CB-OD2 3.24Å; S879-D886 WeakPolarHBondContact CB-OD2 3.39Å; S879-D886 PolarHBondContact OG-OD2 2.84Å | ||
| 880 | S | 93.2 | Very high | 96.3 | Very high | 19 Ų | 19 | 14.4 Ų | 14.4 | 13% | 0.133 | 8% | 0.078 | C | C | . | . | trans | -104.9 | 14.9 | 178 | 68 | 0 | 0 | 0 | 0 | 114.3 | S832 T834 H844 | S832-S880 PolarHBondContact OG-N 2.77Å; T834-S880 PolarHBondContact OG1-OG 2.96Å; H844-S880 WeakPolarHBondContact CA-OG 3.17Å; H844-S880 PolarHBondContact N-OG 3.31Å; H844-S880 WeakPolarHBondContact ND1-CB 3.34Å; H844-S880 PolarHBondContact ND1-OG 2.8Å | ||
| 881 | V | 94.4 | Very high | 96.5 | Very high | 61 Ų | 61 | 14.2 Ų | 14.2 | 37% | 0.37 | 8% | 0.077 | S | C | . | . | S | Bend | trans | -69.3 | -54.7 | 175.2 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | A846 | A846-V881 HydrophobicContact CB-CG1 4.38Å; A846-V881 HydrophobicContact CB-CG2 3.72Å |
| 882 | D | 94.1 | Very high | 96.6 | Very high | 52 Ų | 52 | 11.7 Ų | 11.7 | 28% | 0.278 | 6% | 0.064 | S | C | . | . | S | Bend | trans | -131.8 | 96.4 | 165 | -167.4 | -46.3 | 0 | 0 | 0 | 107.5 | I884 K885 D886 W933 | D882-I884 PolarHBondContact O-N 3.28Å; D882-I884 PolarHBondContact OD1-N 2.85Å; D882-K885 HydrophobicContact CB-CB 4.29Å; D882-K885 PolarHBondContact O-N 3.01Å; D882-K885 PolarHBondContact OD1-N 2.92Å; D882-D886 PolarHBondContact N-OD2 2.77Å; D882-D886 VanDerWaalsContact N-OD2 3.13Å; D882-D886 WeakPolarHBondContact O-CB 3.23Å; D882-D886 PolarHBondContact O-N 2.99Å; D882-W933 HydrophobicContact CB-CZ2 3.84Å |
| 883 | Y | 93.7 | Very high | 96.7 | Very high | 9 Ų | 9 | 11.7 Ų | 11.7 | 4% | 0.035 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -50.1 | -44.8 | -172.4 | 168.4 | -115.6 | 0 | 0 | 0 | 112.9 | R699 T701 F704 F878 L887 M991 | R699-Y883 PolarHBondContact O-OH 2.97Å; T701-Y883 HydrophobicContact CG2-CE1 4.29Å; F704-Y883 AromaticContact CD1-CD1 3.64Å; F704-Y883 HydrophobicContact CD1-CD1 3.64Å; F704-Y883 HydrophobicContact CD1-CE1 4.38Å; F704-Y883 HydrophobicContact CD2-CD1 4.06Å; F704-Y883 HydrophobicContact CD2-CE1 4.33Å; F704-Y883 AromaticContact CE1-CD1 3.5Å; F704-Y883 HydrophobicContact CE1-CD1 3.5Å; F704-Y883 VanDerWaalsContact CE1-CD1 3.5Å; F704-Y883 AromaticContact CE1-CG 3.99Å; F704-Y883 HydrophobicContact CE1-CG 3.99Å; F704-Y883 AromaticContact CE2-CD1 3.93Å; F704-Y883 HydrophobicContact CE2-CD1 3.93Å; F704-Y883 HydrophobicContact CE2-CG 4.41Å; F704-Y883 AromaticContact CG-CD1 3.89Å; F704-Y883 HydrophobicContact CG-CD1 3.89Å; F704-Y883 HydrophobicContact CG-CE1 4.23Å; F704-Y883 AromaticContact CZ-CD1 3.62Å; F704-Y883 HydrophobicContact CZ-CD1 3.62Å; F704-Y883 AromaticContact CZ-CG 3.87Å; F704-Y883 HydrophobicContact CZ-CG 3.87Å; F878-Y883 AromaticContact CD2-CD2 3.68Å; F878-Y883 HydrophobicContact CD2-CD2 3.68Å; F878-Y883 HydrophobicContact CD2-CE2 4.03Å; F878-Y883 AromaticContact CE2-CD2 3.51Å; F878-Y883 HydrophobicContact CE2-CD2 3.51Å; F878-Y883 AromaticContact CE2-CE2 3.93Å; F878-Y883 HydrophobicContact CE2-CE2 3.93Å; F878-Y883 HydrophobicContact CZ-CD2 4.46Å; Y883-L887 WeakPolarHBondContact O-CB 3.47Å; Y883-L887 PolarHBondContact O-N 2.84Å; Y883-M991 HydrophobicContact CE2-CE 3.8Å; Y883-M991 WeakPolarHBondContact OH-CE 3.36Å |
| 884 | I | 95.9 | Very high | 96.8 | Very high | 21 Ų | 21 | 11.4 Ų | 11.4 | 11% | 0.108 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -74.5 | -57.3 | -175 | -58.5 | 176 | 0 | 0 | 0 | 109.6 | T701 F704 D882 D886 L887 F888 Q931 | T701-I884 HydrophobicContact CG2-CG1 4.11Å; T701-I884 HydrophobicContact CG2-CG2 4.2Å; T701-I884 WeakPolarHBondContact O-CD1 3.34Å; F704-I884 HydrophobicContact CD1-CD1 3.98Å; F704-I884 HydrophobicContact CD1-CG1 4Å; F704-I884 HydrophobicContact CE1-CG1 4.38Å; D882-I884 PolarHBondContact O-N 3.28Å; D882-I884 PolarHBondContact OD1-N 2.85Å; I884-D886 VanDerWaalsContact C-N 3.32Å; I884-D886 PolarHBondContact O-N 2.82Å; I884-L887 PolarHBondContact O-N 3.1Å; I884-F888 HydrophobicContact CG2-CD2 3.78Å; I884-F888 HydrophobicContact CG2-CE2 3.73Å; I884-F888 WeakPolarHBondContact O-CD2 3.09Å; I884-F888 PolarHBondContact O-N 3.06Å; I884-F888 VanDerWaalsContact O-N 3.11Å; I884-Q931 HydrophobicContact CG2-CB 4.43Å |
| 885 | K | 97.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 11 Ų | 11 | 20% | 0.196 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.3 | -36.2 | -173.1 | -57.7 | -170.7 | 73 | 63.9 | 0 | 111.6 | D882 S889 Q931 W933 | D882-K885 HydrophobicContact CB-CB 4.29Å; D882-K885 PolarHBondContact O-N 3.01Å; D882-K885 PolarHBondContact OD1-N 2.92Å; K885-S889 WeakPolarHBondContact O-CB 3.28Å; K885-S889 PolarHBondContact O-N 2.9Å; K885-S889 PolarHBondContact O-OG 3.03Å; K885-Q931 WeakPolarHBondContact CE-O 3.5Å; K885-Q931 WeakPolarHBondContact CG-O 3.34Å; K885-Q931 PolarHBondContact NZ-O 3.05Å; K885-W933 HydrophobicContact CB-CD2 4Å; K885-W933 HydrophobicContact CB-CG 4.23Å; K885-W933 HydrophobicContact CB-CZ2 3.97Å; K885-W933 HydrophobicContact CD-CD2 4.14Å; K885-W933 HydrophobicContact CD-CE3 4.03Å; K885-W933 HydrophobicContact CD-CH2 3.66Å; K885-W933 HydrophobicContact CD-CZ2 3.74Å; K885-W933 HydrophobicContact CD-CZ3 3.82Å; K885-W933 VanDerWaalsContact CE-CZ3 3.43Å; K885-W933 HydrophobicContact CG-CZ2 4.39Å |
| 886 | D | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.4 | -37.4 | 178.4 | -60.2 | -10.3 | 0 | 0 | 0 | 112 | Y831 S879 D882 I884 G890 L891 W933 | Y831-D886 HydrophobicContact CD1-CB 4.35Å; Y831-D886 HydrophobicContact CE1-CB 4.29Å; Y831-D886 VanDerWaalsContact CE1-OD1 3.26Å; Y831-D886 WeakPolarHBondContact CE1-OD1 3.44Å; S879-D886 VanDerWaalsContact CB-OD2 3.24Å; S879-D886 WeakPolarHBondContact CB-OD2 3.39Å; S879-D886 PolarHBondContact OG-OD2 2.84Å; D882-D886 PolarHBondContact N-OD2 2.77Å; D882-D886 VanDerWaalsContact N-OD2 3.13Å; D882-D886 WeakPolarHBondContact O-CB 3.23Å; D882-D886 PolarHBondContact O-N 2.99Å; I884-D886 VanDerWaalsContact C-N 3.32Å; I884-D886 PolarHBondContact O-N 2.82Å; D886-G890 PolarHBondContact O-N 3.1Å; D886-L891 HydrophobicContact CB-CD1 4.43Å; D886-L891 PolarHBondContact O-N 2.82Å; D886-L891 VanDerWaalsContact O-N 3.08Å; D886-W933 PolarHBondContact OD1-NE1 2.87Å |
| 887 | L | 97.5 | Very high | 96.8 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 2% | 0.016 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -60.6 | -57.7 | 175.6 | 173.1 | 65.1 | 0 | 0 | 0 | 110.5 | T701 Y883 I884 S889 G890 L892 L925 M991 | T701-L887 HydrophobicContact CG2-CD2 4.36Å; Y883-L887 WeakPolarHBondContact O-CB 3.47Å; Y883-L887 PolarHBondContact O-N 2.84Å; I884-L887 PolarHBondContact O-N 3.1Å; L887-S889 VanDerWaalsContact C-N 3.27Å; L887-S889 PolarHBondContact O-N 3.03Å; L887-G890 WeakPolarHBondContact O-CA 3.46Å; L887-G890 PolarHBondContact O-N 3.29Å; L887-L892 HydrophobicContact CD1-CB 4.25Å; L887-L892 HydrophobicContact CD1-CD1 3.61Å; L887-L925 HydrophobicContact CD1-CD2 4.44Å; L887-M991 HydrophobicContact CD1-CB 4.45Å; L887-M991 HydrophobicContact CD1-CE 4.39Å; L887-M991 HydrophobicContact CD2-CB 4.38Å; L887-M991 HydrophobicContact CD2-CE 4.23Å |
| 888 | F | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 10.9 Ų | 10.9 | 1% | 0.013 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -67.1 | -28.1 | -178.4 | -68.5 | -56.2 | 0 | 0 | 0 | 112.8 | T701 K783 I884 G890 L925 V926 D928 Q931 | T701-F888 HydrophobicContact CG2-CE2 3.86Å; T701-F888 HydrophobicContact CG2-CZ 4.02Å; K783-F888 PolarHBondContact NZ-O 2.87Å; I884-F888 HydrophobicContact CG2-CD2 3.78Å; I884-F888 HydrophobicContact CG2-CE2 3.73Å; I884-F888 WeakPolarHBondContact O-CD2 3.09Å; I884-F888 PolarHBondContact O-N 3.06Å; I884-F888 VanDerWaalsContact O-N 3.11Å; F888-G890 PolarHBondContact O-N 3.44Å; F888-L925 HydrophobicContact CE1-CD1 4.01Å; F888-V926 VanDerWaalsContact CE1-O 3.32Å; F888-V926 WeakPolarHBondContact CE1-O 3.34Å; F888-D928 WeakPolarHBondContact CB-O 3.47Å; F888-D928 HydrophobicContact CD1-CB 4.05Å; F888-D928 HydrophobicContact CD2-CB 4.41Å; F888-D928 HydrophobicContact CE1-CB 3.99Å; F888-D928 HydrophobicContact CE2-CB 4.33Å; F888-D928 HydrophobicContact CG-CB 4.26Å; F888-D928 HydrophobicContact CZ-CB 4.13Å; F888-Q931 HydrophobicContact CB-CB 4.33Å; F888-Q931 HydrophobicContact CD2-CB 3.57Å; F888-Q931 HydrophobicContact CD2-CG 4.16Å; F888-Q931 HydrophobicContact CE2-CB 4.23Å; F888-Q931 HydrophobicContact CE2-CG 4.33Å; F888-Q931 HydrophobicContact CG-CB 4.26Å |
| 889 | S | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.2 | -19.5 | 170.5 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | K783 V784 K885 L887 W933 | K783-S889 WeakPolarHBondContact CB-O 3.2Å; K783-S889 WeakPolarHBondContact CE-O 3.3Å; V784-S889 PolarHBondContact N-O 3.36Å; K885-S889 WeakPolarHBondContact O-CB 3.28Å; K885-S889 PolarHBondContact O-N 2.9Å; K885-S889 PolarHBondContact O-OG 3.03Å; L887-S889 VanDerWaalsContact C-N 3.27Å; L887-S889 PolarHBondContact O-N 3.03Å; S889-W933 PolarHBondContact OG-N 2.86Å |
| 890 | G | 97.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 4% | 0.041 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 124.2 | 9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | V784 D886 L887 F888 L892 | V784-G890 CarbonylContact O-C 3.52Å; V784-G890 VanDerWaalsContact O-CA 3.23Å; V784-G890 WeakPolarHBondContact O-CA 3.41Å; D886-G890 PolarHBondContact O-N 3.1Å; L887-G890 WeakPolarHBondContact O-CA 3.46Å; L887-G890 PolarHBondContact O-N 3.29Å; F888-G890 PolarHBondContact O-N 3.44Å; G890-L892 PolarHBondContact O-N 2.94Å |
| 891 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -86.7 | 83.6 | -177.1 | -66.5 | -173.8 | 0 | 0 | 0 | 113.5 | A739 V784 Y786 Y831 F878 D886 | A739-L891 HydrophobicContact CB-CD2 4.1Å; V784-L891 HydrophobicContact CB-CD2 4.31Å; V784-L891 HydrophobicContact CG1-CD1 4.19Å; V784-L891 HydrophobicContact CG1-CD2 3.82Å; V784-L891 HydrophobicContact CG1-CG 3.64Å; V784-L891 HydrophobicContact CG2-CD2 3.81Å; V784-L891 HydrophobicContact CG2-CG 4.43Å; Y786-L891 HydrophobicContact CD1-CD2 4.1Å; Y786-L891 HydrophobicContact CD2-CB 4.4Å; Y786-L891 HydrophobicContact CD2-CD2 4.19Å; Y786-L891 HydrophobicContact CE1-CD2 3.98Å; Y786-L891 HydrophobicContact CE2-CB 3.72Å; Y786-L891 HydrophobicContact CE2-CD2 4.09Å; Y786-L891 HydrophobicContact CE2-CG 4.41Å; Y786-L891 HydrophobicContact CG-CD2 4.2Å; Y831-L891 HydrophobicContact CD1-CD1 3.46Å; Y831-L891 VanDerWaalsContact CD1-CD1 3.46Å; Y831-L891 HydrophobicContact CD2-CD1 4.03Å; Y831-L891 HydrophobicContact CE1-CD1 3.9Å; Y831-L891 HydrophobicContact CE2-CD1 4.41Å; Y831-L891 HydrophobicContact CG-CD1 3.53Å; F878-L891 WeakPolarHBondContact CA-O 3.48Å; D886-L891 HydrophobicContact CB-CD1 4.43Å; D886-L891 PolarHBondContact O-N 2.82Å; D886-L891 VanDerWaalsContact O-N 3.08Å | ||
| 892 | L | 97.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 146.5 | 170.9 | -170.3 | 140.6 | 0 | 0 | 0 | 111.9 | L807 G808 A876 Y877 L887 G890 L923 L989 M991 | L807-L892 HydrophobicContact CD2-CD2 3.61Å; G808-L892 PolarHBondContact N-O 2.87Å; A876-L892 HydrophobicContact CB-CD1 4.42Å; Y877-L892 CarbonylContact O-C 3.57Å; Y877-L892 WeakPolarHBondContact O-CA 3.3Å; L887-L892 HydrophobicContact CD1-CB 4.25Å; L887-L892 HydrophobicContact CD1-CD1 3.61Å; G890-L892 PolarHBondContact O-N 2.94Å; L892-L923 HydrophobicContact CD1-CD1 4.42Å; L892-L923 HydrophobicContact CD2-CD1 4.06Å; L892-L923 HydrophobicContact CD2-CD2 4.08Å; L892-L989 HydrophobicContact CD2-CD2 4.42Å; L892-M991 HydrophobicContact CD1-CB 4.34Å; L892-M991 HydrophobicContact CD1-CE 4.25Å; L892-M991 HydrophobicContact CD1-CG 3.62Å |
| 893 | G | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 165.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A876 Y877 | A876-G893 CarbonylContact C-O 3.19Å; A876-G893 WeakPolarHBondContact CA-O 3.39Å; Y877-G893 VanDerWaalsContact CD1-C 3.49Å; Y877-G893 WeakPolarHBondContact CD1-O 3.48Å; Y877-G893 WeakPolarHBondContact CE1-O 3.47Å; Y877-G893 PolarHBondContact N-O 3.09Å; Y877-G893 PolarHBondContact O-N 2.86Å |
| 894 | P | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 135.4 | -177.5 | 32.4 | -33.6 | 0 | 0 | 0 | 112.8 | I810 I811 T874 Y877 A921 L989 | I810-P894 HydrophobicContact CB-CG 4.25Å; I810-P894 HydrophobicContact CG1-CG 3.75Å; I810-P894 HydrophobicContact CG2-CG 4.4Å; I811-P894 PolarHBondContact N-O 3.03Å; T874-P894 HydrophobicContact CG2-CB 4.47Å; Y877-P894 WeakPolarHBondContact CE1-O 3.48Å; P894-A921 HydrophobicContact CB-CB 4.23Å; P894-A921 HydrophobicContact CG-CB 3.84Å; P894-L989 HydrophobicContact CB-CD1 4.42Å; P894-L989 HydrophobicContact CB-CD2 4.29Å |
| 895 | L | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.9 | 171.1 | 172.3 | 64 | 0 | 0 | 0 | 109.2 | I811 I819 P835 V838 W857 T874 Y875 Y877 I897 | I811-L895 HydrophobicContact CB-CD1 3.99Å; I811-L895 HydrophobicContact CG2-CD1 3.8Å; I819-L895 HydrophobicContact CD1-CD1 3.99Å; P835-L895 HydrophobicContact CB-CD2 3.68Å; V838-L895 HydrophobicContact CG1-CD2 4.09Å; V838-L895 HydrophobicContact CG2-CD2 3.83Å; W857-L895 HydrophobicContact CE3-CD1 4.46Å; W857-L895 HydrophobicContact CZ3-CD1 4.28Å; T874-L895 CarbonylContact C-O 3.46Å; T874-L895 WeakPolarHBondContact CA-O 3.42Å; Y875-L895 PolarHBondContact N-O 3.07Å; Y875-L895 PolarHBondContact O-N 2.78Å; Y877-L895 HydrophobicContact CD1-CB 4.26Å; L895-I897 HydrophobicContact CD1-CD1 3.81Å; L895-I897 HydrophobicContact CD2-CD1 4.25Å; L895-I897 HydrophobicContact CG-CD1 3.91Å; L895-I897 HydrophobicContact CG-CG1 4.21Å |
| 896 | V | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.6 | -177 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | I810 I811 H812 G813 C872 Y987 | I810-V896 HydrophobicContact CG2-CB 4.29Å; I810-V896 HydrophobicContact CG2-CG2 3.61Å; I811-V896 PolarHBondContact O-N 2.83Å; H812-V896 WeakPolarHBondContact CA-O 3.41Å; G813-V896 PolarHBondContact N-O 3.05Å; C872-V896 HydrophobicContact CB-CG1 3.62Å; V896-Y987 HydrophobicContact CG1-CE1 4.32Å; V896-Y987 HydrophobicContact CG2-CD2 3.92Å; V896-Y987 HydrophobicContact CG2-CE1 4.3Å; V896-Y987 HydrophobicContact CG2-CE2 3.63Å; V896-Y987 HydrophobicContact CG2-CG 4.36Å |
| 897 | I | 97.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.5 | -179.2 | -55.8 | -58.6 | 0 | 0 | 0 | 110 | G813 V815 V838 I859 P865 C872 I873 Y875 L895 | G813-I897 CarbonylContact O-C 3.51Å; G813-I897 WeakPolarHBondContact O-CA 3.4Å; V815-I897 HydrophobicContact CG2-CG2 4.36Å; V838-I897 HydrophobicContact CG1-CD1 3.93Å; V838-I897 HydrophobicContact CG1-CG1 4.11Å; I859-I897 HydrophobicContact CD1-CD1 3.75Å; I859-I897 HydrophobicContact CG1-CD1 4.06Å; I859-I897 HydrophobicContact CG2-CD1 4.22Å; I859-I897 HydrophobicContact CG2-CG2 3.54Å; P865-I897 WeakPolarHBondContact CD-O 3.25Å; P865-I897 WeakPolarHBondContact CG-O 3.45Å; C872-I897 CarbonylContact C-O 3.58Å; C872-I897 VanDerWaalsContact CA-O 3.26Å; C872-I897 WeakPolarHBondContact CA-O 3.3Å; I873-I897 HydrophobicContact CG1-CB 4.35Å; I873-I897 PolarHBondContact N-O 2.66Å; I873-I897 PolarHBondContact O-N 2.83Å; Y875-I897 HydrophobicContact CD2-CG1 3.78Å; Y875-I897 HydrophobicContact CE2-CB 4.31Å; Y875-I897 HydrophobicContact CE2-CG1 3.87Å; L895-I897 HydrophobicContact CD1-CD1 3.81Å; L895-I897 HydrophobicContact CD2-CD1 4.25Å; L895-I897 HydrophobicContact CG-CD1 3.91Å; L895-I897 HydrophobicContact CG-CG1 4.21Å |
| 898 | C | 96.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 156.5 | -173.5 | -64.7 | 0 | 0 | 0 | 0 | 113.1 | G813 E814 V815 N871 C872 T902 L903 | G813-C898 PolarHBondContact O-N 3.45Å; E814-C898 WeakPolarHBondContact CA-O 3.47Å; V815-C898 PolarHBondContact N-O 3.07Å; N871-C898 CarbonylContact O-C 3.15Å; N871-C898 WeakPolarHBondContact O-CA 3.26Å; C872-C898 HydrophobicContact CB-CB 4.07Å; C872-C898 WeakPolarHBondContact CB-SG 3.39Å; C872-C898 WeakPolarHBondContact SG-CB 3.14Å; C872-C898 CovalentContact SG-SG 2.03Å; C872-C898 PolarHBondContact SG-SG 2.98Å; C898-T902 HydrophobicContact CB-CG2 4.37Å; C898-L903 HydrophobicContact CB-CD1 4.32Å; C898-L903 HydrophobicContact CB-CG 4.11Å |
| 899 | R | 95.2 | Very high | 85.7 | Confident | 57 Ų | 57 | 35.6 Ų | 35.6 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | trans | -61.1 | 150.2 | 165.1 | -66.2 | -176.7 | -178.1 | 113.8 | 5.6 | 110.7 | P865 T866 I867 D869 P870 N871 G901 T902 | P865-R899 HydrophobicContact CB-CG 4.06Å; P865-R899 HydrophobicContact CG-CG 4.12Å; T866-R899 PolarHBondContact O-NE 2.99Å; T866-R899 PolarHBondContact O-NH2 2.87Å; I867-R899 PolarHBondContact O-NH2 2.94Å; D869-R899 PolarHBondContact O-NH1 3.11Å; D869-R899 PolarHBondContact O-NH2 3.31Å; P870-R899 VanDerWaalsContact C-NH1 3.3Å; P870-R899 PolarHBondContact O-NH1 3.31Å; P870-R899 PolarHBondContact O-NH2 2.68Å; N871-R899 VanDerWaalsContact CA-NH1 3.26Å; N871-R899 PolarHBondContact O-N 2.74Å; N871-R899 PolarHBondContact OD1-NH1 2.03Å; R899-G901 PolarHBondContact O-N 2.81Å; R899-T902 WeakPolarHBondContact O-CB 3.32Å; R899-T902 PolarHBondContact O-N 3.03Å; R899-T902 PolarHBondContact O-OG1 2.94Å; R899-T902 VanDerWaalsContact O-OG1 3.1Å | ||
| 900 | P | 92.6 | Very high | 83.7 | Confident | 91 Ų | 91 | 40.2 Ų | 40.2 | 59% | 0.591 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 129.8 | 177.3 | -24 | 34.8 | 0 | 0 | 0 | 112.3 | V815 | V815-P900 HydrophobicContact CB-CG 4.1Š|
| 901 | G | 89.9 | Confident | 82.8 | Confident | 41 Ų | 41 | 40.6 Ų | 40.6 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 4.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | E814 R899 | E814-G901 VanDerWaalsContact CD-N 3.25Å; E814-G901 WeakPolarHBondContact OE1-CA 3.31Å; E814-G901 PolarHBondContact OE1-N 2.98Å; E814-G901 PolarHBondContact OE2-N 3.23Å; R899-G901 PolarHBondContact O-N 2.81Å |
| 902 | T | 93.3 | Very high | 82.1 | Confident | 14 Ų | 14 | 47.2 Ų | 47.2 | 9% | 0.086 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -80 | -32.7 | 174 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | E814 N871 C898 R899 R913 Q914 D915 | E814-T902 PolarHBondContact OE1-N 2.59Å; N871-T902 HydrophobicContact CB-CG2 4.13Å; C898-T902 HydrophobicContact CB-CG2 4.37Å; R899-T902 WeakPolarHBondContact O-CB 3.32Å; R899-T902 PolarHBondContact O-N 3.03Å; R899-T902 PolarHBondContact O-OG1 2.94Å; R899-T902 VanDerWaalsContact O-OG1 3.1Å; T902-R913 HydrophobicContact CG2-CG 4.47Å; T902-Q914 PolarHBondContact O-N 3.21Å; T902-Q914 VanDerWaalsContact O-N 3.1Å; T902-D915 WeakPolarHBondContact CG2-OD1 3.19Å |
| 903 | L | 91.1 | Very high | 81.7 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -90.3 | 147.8 | -178.9 | -60 | 178.1 | 0 | 0 | 0 | 111.6 | H812 E814 C898 R913 | H812-L903 HydrophobicContact CB-CD1 3.76Å; H812-L903 HydrophobicContact CB-CD2 4.38Å; E814-L903 HydrophobicContact CG-CB 4.16Å; E814-L903 HydrophobicContact CG-CD1 3.71Å; E814-L903 HydrophobicContact CG-CG 4Å; E814-L903 WeakPolarHBondContact OE1-CB 3.32Å; E814-L903 PolarHBondContact OE1-N 2.64Å; C898-L903 HydrophobicContact CB-CD1 4.32Å; C898-L903 HydrophobicContact CB-CG 4.11Å; L903-R913 HydrophobicContact CD2-CG 3.6Å |
| 904 | G | 81 | Confident | 81.3 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | trans | -60.3 | 142.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | G906 D910 Q912 | G904-G906 PolarHBondContact O-N 2.86Å; G904-D910 WeakPolarHBondContact CA-O 3.37Å; G904-Q912 PolarHBondContact N-O 2.79Å | ||
| 905 | R | 68.6 | Low | 81.1 | Confident | 218 Ų | 218 | 56.3 Ų | 56.3 | 82% | 0.823 | 31% | 0.306 | S | S | * | . | trans | -87.9 | 6.5 | -175.4 | -65.8 | -169.2 | -178.6 | -161.7 | 0.2 | 115.3 | ||||
| 906 | G | 58.5 | Low | 81 | Confident | 23 Ų | 23 | 57.3 Ų | 57.3 | 24% | 0.237 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -70.5 | -179.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | R731 G904 | R731-G906 PolarHBondContact NH2-O 3.46Å; R731-G906 VanDerWaalsContact NH2-O 3.15Å; G904-G906 PolarHBondContact O-N 2.86Å |
| 907 | A | 52.5 | Low | 80.9 | Confident | 77 Ų | 77 | 61.3 Ų | 61.3 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -59.5 | 158.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109 | V909 D910 | A907-V909 PolarHBondContact O-N 3.24Å; A907-D910 PolarHBondContact O-N 3.13Å |
| 908 | L | 51.9 | Low | 80.7 | Confident | 85 Ų | 85 | 65.4 Ų | 65.4 | 45% | 0.445 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.4 | -6.5 | -170.2 | -75.1 | 151.1 | 0 | 0 | 0 | 118.9 | V733 K734 | V733-L908 HydrophobicContact CG1-CD2 3.87Å; K734-L908 WeakPolarHBondContact O-CD2 3.29Å |
| 909 | V | 49.6 | Very low | 80.7 | Confident | 122 Ų | 122 | 66.3 Ų | 66.3 | 74% | 0.739 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -17.8 | 174.1 | -171.1 | 0 | 0 | 0 | 0 | 113.1 | A907 | A907-V909 PolarHBondContact O-N 3.24Š|
| 910 | D | 56.3 | Low | 80.8 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 52% | 0.519 | 34% | 0.343 | S | S | . | . | trans | -107.8 | 20.4 | -173.7 | -70.3 | -27.8 | 0 | 0 | 0 | 114.6 | G904 A907 Q912 | G904-D910 WeakPolarHBondContact CA-O 3.37Å; A907-D910 PolarHBondContact O-N 3.13Å; D910-Q912 PolarHBondContact O-N 3Å | ||
| 911 | R | 77.7 | Confident | 81.1 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | trans | -79.9 | 29.9 | 179.4 | -68.4 | -168.8 | 67.2 | 102.6 | 2 | 113.7 | E817 | E817-R911 IonicContact OE1-CZ 2.65Å; E817-R911 IonicContact OE1-NH1 2.97Å; E817-R911 PolarHBondContact OE1-NH1 2.65Å; E817-R911 IonicContact OE1-NH2 3.9Å; E817-R911 IonicContact OE2-CZ 2.96Å; E817-R911 IonicContact OE2-NH1 3.49Å; E817-R911 PolarHBondContact OE2-NH1 3.37Å; E817-R911 IonicContact OE2-NH2 3.22Å; E817-R911 PolarHBondContact OE2-NH2 2.87Å | ||
| 912 | Q | 83.4 | Confident | 81.5 | Confident | 138 Ų | 138 | 57.6 Ų | 57.6 | 65% | 0.645 | 29% | 0.294 | S | S | * | . | trans | -72.1 | 150.7 | 171.2 | -68.6 | -174.3 | -29 | 0 | 0 | 110.2 | G904 D910 | G904-Q912 PolarHBondContact N-O 2.79Å; D910-Q912 PolarHBondContact O-N 3Å | ||
| 913 | R | 90.4 | Very high | 81.8 | Confident | 16 Ų | 16 | 56.9 Ų | 56.9 | 6% | 0.06 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -65.2 | 138.7 | 171.6 | -75.6 | -175.7 | 64 | -178.3 | -3.2 | 110.8 | C872 T902 L903 D915 I916 D985 Y987 | C872-R913 VanDerWaalsContact SG-CD 3.58Å; C872-R913 VanDerWaalsContact SG-CZ 3.55Å; C872-R913 PolarHBondContact SG-NE 3.36Å; T902-R913 HydrophobicContact CG2-CG 4.47Å; L903-R913 HydrophobicContact CD2-CG 3.6Å; R913-D915 WeakPolarHBondContact CB-OD1 3.49Å; R913-D915 IonicContact CZ-OD1 2.71Å; R913-D915 IonicContact CZ-OD2 2.68Å; R913-D915 IonicContact NE-OD1 2.85Å; R913-D915 PolarHBondContact NE-OD1 2.74Å; R913-D915 IonicContact NE-OD2 2.64Å; R913-D915 IonicContact NH2-OD1 3.44Å; R913-D915 PolarHBondContact NH2-OD1 2.83Å; R913-D915 IonicContact NH2-OD2 3.48Å; R913-D915 PolarHBondContact NH2-OD2 2.63Å; R913-I916 HydrophobicContact CB-CD1 4.21Å; R913-I916 HydrophobicContact CB-CG1 3.8Å; R913-D985 IonicContact CZ-OD2 3.48Å; R913-D985 IonicContact NH1-OD2 2.77Å; R913-D985 PolarHBondContact NH1-OD2 2.75Å; R913-D985 IonicContact NH2-OD2 3.17Å; R913-D985 PolarHBondContact NH2-OD2 3.35Å; R913-Y987 WeakPolarHBondContact CD-OH 3.39Å; R913-Y987 PolarHBondContact NH1-OH 3.06Å; R913-Y987 VanDerWaalsContact NH1-OH 3.07Å |
| 914 | Q | 89.1 | Confident | 82.1 | Confident | 142 Ų | 142 | 56.7 Ų | 56.7 | 66% | 0.664 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -97.9 | -12.6 | -179.8 | -60.2 | -168.1 | -19 | 0 | 0 | 113.3 | T902 | T902-Q914 PolarHBondContact O-N 3.21Å; T902-Q914 VanDerWaalsContact O-N 3.1Å |
| 915 | D | 93.1 | Very high | 83 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 21% | 0.209 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -88.7 | -22.2 | -175 | 61.1 | -40 | 0 | 0 | 0 | 113.5 | N871 T902 R913 R983 | N871-D915 VanDerWaalsContact CB-OD2 3.31Å; N871-D915 WeakPolarHBondContact CB-OD2 3.19Å; N871-D915 PolarHBondContact ND2-OD2 2.78Å; T902-D915 WeakPolarHBondContact CG2-OD1 3.19Å; R913-D915 WeakPolarHBondContact CB-OD1 3.49Å; R913-D915 IonicContact CZ-OD1 2.71Å; R913-D915 IonicContact CZ-OD2 2.68Å; R913-D915 IonicContact NE-OD1 2.85Å; R913-D915 PolarHBondContact NE-OD1 2.74Å; R913-D915 IonicContact NE-OD2 2.64Å; R913-D915 IonicContact NH2-OD1 3.44Å; R913-D915 PolarHBondContact NH2-OD1 2.83Å; R913-D915 IonicContact NH2-OD2 3.48Å; R913-D915 PolarHBondContact NH2-OD2 2.63Å; D915-R983 PolarHBondContact O-NE 2.89Å; D915-R983 PolarHBondContact O-NH2 3.17Å |
| 916 | I | 94.9 | Very high | 84.4 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | trans | -122.5 | 162.9 | -179.6 | 62 | 176.1 | 0 | 0 | 0 | 111.1 | R913 R918 E919 R983 D985 | R913-I916 HydrophobicContact CB-CD1 4.21Å; R913-I916 HydrophobicContact CB-CG1 3.8Å; I916-R918 WeakPolarHBondContact CD1-O 3.36Å; I916-E919 HydrophobicContact CD1-CB 4.03Å; I916-R983 HydrophobicContact CB-CB 4.49Å; I916-R983 HydrophobicContact CG2-CB 4.49Å; I916-D985 HydrophobicContact CD1-CB 3.74Å | ||
| 917 | D | 95.3 | Very high | 86.3 | Confident | 84 Ų | 84 | 45.2 Ų | 45.2 | 45% | 0.449 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -92.6 | -29.9 | -179.6 | -57.5 | -65.6 | 0 | 0 | 0 | 111.7 | E982 R983 | D917-E982 HydrophobicContact CB-CB 3.82Å; D917-E982 HydrophobicContact CB-CG 3.81Å; D917-E982 WeakPolarHBondContact OD2-CA 3.45Å; D917-R983 PolarHBondContact N-O 2.9Å; D917-R983 PolarHBondContact OD2-N 3.28Å |
| 918 | R | 94.6 | Very high | 88.4 | Confident | 86 Ų | 86 | 42.8 Ų | 42.8 | 33% | 0.325 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 153.1 | 177 | -63.4 | -168.6 | -174.3 | -97.8 | -18.2 | 113 | I916 F920 V977 E982 R983 V984 D985 | I916-R918 WeakPolarHBondContact CD1-O 3.36Å; R918-F920 HydrophobicContact CB-CE2 4.28Å; R918-F920 HydrophobicContact CB-CZ 4.49Å; R918-V977 WeakPolarHBondContact CD-O 3.42Å; R918-V977 VanDerWaalsContact CZ-O 3.28Å; R918-V977 PolarHBondContact NE-O 3.1Å; R918-V977 PolarHBondContact NH1-O 3.03Å; R918-E982 WeakPolarHBondContact CD-OE2 3.5Å; R918-E982 IonicContact CZ-OE1 3.3Å; R918-E982 IonicContact CZ-OE2 3.68Å; R918-E982 IonicContact NE-OE1 3.29Å; R918-E982 IonicContact NE-OE2 3.91Å; R918-E982 PolarHBondContact NE-OE2 2.89Å; R918-E982 IonicContact NH2-OE1 3.55Å; R918-E982 PolarHBondContact NH2-OE1 2.71Å; R918-E982 IonicContact NH2-OE2 2.68Å; R918-R983 PolarHBondContact N-O 2.97Å; R918-R983 VanDerWaalsContact N-O 3.17Å; R918-V984 HydrophobicContact CB-CG1 4.32Å; R918-V984 HydrophobicContact CB-CG2 4.25Å; R918-V984 WeakPolarHBondContact O-CA 3.4Å; R918-D985 PolarHBondContact O-N 3.49Å |
| 919 | E | 95.9 | Very high | 90.7 | Very high | 19 Ų | 19 | 38.7 Ų | 38.7 | 9% | 0.089 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144.2 | 169 | 62 | -166.7 | 133 | 0 | 0 | 110.3 | I810 H812 I916 D985 Y987 | I810-E919 HydrophobicContact CD1-CG 4.39Å; H812-E919 IonicContact CD2-OE2 2.62Å; H812-E919 IonicContact CE1-OE1 2.75Å; H812-E919 IonicContact CE1-OE2 2.8Å; H812-E919 IonicContact NE2-OE1 3.72Å; H812-E919 PolarHBondContact NE2-OE1 2.84Å; H812-E919 IonicContact NE2-OE2 3.19Å; H812-E919 PolarHBondContact NE2-OE2 2.7Å; I916-E919 HydrophobicContact CD1-CB 4.03Å; E919-D985 CarbonylContact C-O 3.59Å; E919-D985 VanDerWaalsContact CA-O 3.3Å; E919-D985 WeakPolarHBondContact CA-O 3.45Å; E919-Y987 HydrophobicContact CB-CE2 3.69Å; E919-Y987 HydrophobicContact CG-CE2 4.15Å; E919-Y987 WeakPolarHBondContact OE2-CE2 3.33Å; E919-Y987 VanDerWaalsContact OE2-CZ 3.32Å; E919-Y987 PolarHBondContact OE2-OH 3.35Å |
| 920 | F | 98.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.4 | 173.7 | -64.4 | -65 | 0 | 0 | 0 | 109.8 | H803 R918 L976 M978 V984 D985 W986 Y987 | H803-F920 HydrophobicContact CB-CD1 4.41Å; H803-F920 AromaticContact CE1-CD1 3.86Å; H803-F920 AromaticContact CG-CD1 3.82Å; H803-F920 AromaticContact ND1-CD1 3.68Å; R918-F920 HydrophobicContact CB-CE2 4.28Å; R918-F920 HydrophobicContact CB-CZ 4.49Å; F920-L976 HydrophobicContact CB-CD2 4.28Å; F920-L976 HydrophobicContact CD1-CD2 3.67Å; F920-L976 HydrophobicContact CE1-CD2 4.14Å; F920-L976 HydrophobicContact CG-CD2 3.95Å; F920-M978 HydrophobicContact CD2-CE 4.2Å; F920-M978 HydrophobicContact CE2-CE 3.48Å; F920-M978 VanDerWaalsContact CE2-CE 3.48Å; F920-M978 HydrophobicContact CZ-CE 4.23Å; F920-V984 HydrophobicContact CD2-CG1 3.5Å; F920-V984 HydrophobicContact CE2-CG1 3.64Å; F920-D985 PolarHBondContact N-O 3.15Å; F920-W986 HydrophobicContact CB-CD2 4.18Å; F920-W986 HydrophobicContact CB-CE3 3.51Å; F920-W986 HydrophobicContact CB-CZ3 3.77Å; F920-W986 HydrophobicContact CD2-CD2 4.13Å; F920-W986 AromaticContact CD2-CE3 3.96Å; F920-W986 HydrophobicContact CD2-CE3 3.96Å; F920-W986 AromaticContact CD2-CH2 3.82Å; F920-W986 HydrophobicContact CD2-CH2 3.82Å; F920-W986 HydrophobicContact CD2-CZ2 4.01Å; F920-W986 AromaticContact CD2-CZ3 3.79Å; F920-W986 HydrophobicContact CD2-CZ3 3.79Å; F920-W986 HydrophobicContact CE2-CH2 4.34Å; F920-W986 HydrophobicContact CE2-CZ2 4.45Å; F920-W986 HydrophobicContact CG-CE3 4.08Å; F920-W986 HydrophobicContact CG-CH2 4.37Å; F920-W986 AromaticContact CG-CZ3 3.93Å; F920-W986 HydrophobicContact CG-CZ3 3.93Å; F920-W986 CarbonylContact O-C 3.54Å; F920-W986 WeakPolarHBondContact O-CA 3.44Å; F920-Y987 PolarHBondContact O-N 2.85Å |
| 921 | A | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | H803 L804 L807 P894 N966 Y987 L989 | H803-A921 PolarHBondContact CD2-O 3.06Å; H803-A921 PolarHBondContact NE2-N 2.8Å; L804-A921 HydrophobicContact CD2-CB 3.93Å; L807-A921 HydrophobicContact CD1-CB 4.33Å; P894-A921 HydrophobicContact CB-CB 4.23Å; P894-A921 HydrophobicContact CG-CB 3.84Å; A921-N966 PolarHBondContact O-ND2 3.42Å; A921-Y987 WeakPolarHBondContact CA-O 3.45Å; A921-Y987 HydrophobicContact CB-CD2 4.29Å; A921-L989 HydrophobicContact CB-CD1 4.45Å |
| 922 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 116.1 | 179.1 | -59.2 | -179.1 | 0 | 0 | 0 | 109.8 | F924 I965 N966 L973 L976 W986 Y987 L988 L989 L1042 | L922-F924 HydrophobicContact CB-CD2 4.39Å; L922-F924 HydrophobicContact CB-CE2 3.84Å; L922-F924 HydrophobicContact CD1-CE2 4.25Å; L922-I965 HydrophobicContact CB-CG2 4.35Å; L922-I965 HydrophobicContact CD2-CG2 4.05Å; L922-N966 WeakPolarHBondContact CA-OD1 3.23Å; L922-L973 HydrophobicContact CD2-CD2 3.96Å; L922-L976 HydrophobicContact CD2-CD1 4.29Å; L922-L976 HydrophobicContact CD2-CD2 4.14Å; L922-W986 HydrophobicContact CD1-CE3 3.6Å; L922-W986 HydrophobicContact CD1-CZ3 3.73Å; L922-W986 HydrophobicContact CG-CE3 4.07Å; L922-W986 HydrophobicContact CG-CZ3 4.28Å; L922-Y987 PolarHBondContact N-O 2.88Å; L922-L988 HydrophobicContact CB-CD2 4.15Å; L922-L988 HydrophobicContact CD1-CD2 4.15Å; L922-L988 CarbonylContact O-C 3.56Å; L922-L988 WeakPolarHBondContact O-CA 3.16Å; L922-L989 WeakPolarHBondContact O-CD1 3.47Å; L922-L989 PolarHBondContact O-N 3.47Å; L922-L1042 HydrophobicContact CD1-CD1 3.79Å; L922-L1042 HydrophobicContact CD1-CD2 4.17Å |
| 923 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.6 | 166 | 175.5 | 75.8 | 0 | 0 | 0 | 108.4 | L807 L892 L925 Y927 I965 N966 L989 M991 | L807-L923 HydrophobicContact CD1-CB 4.31Å; L807-L923 HydrophobicContact CD2-CB 3.82Å; L807-L923 HydrophobicContact CD2-CD2 3.84Å; L807-L923 HydrophobicContact CD2-CG 4.44Å; L807-L923 HydrophobicContact CG-CB 4.45Å; L892-L923 HydrophobicContact CD1-CD1 4.42Å; L892-L923 HydrophobicContact CD2-CD1 4.06Å; L892-L923 HydrophobicContact CD2-CD2 4.08Å; L923-L925 HydrophobicContact CD1-CB 4.4Å; L923-L925 HydrophobicContact CD2-CB 4Å; L923-L925 HydrophobicContact CD2-CD2 4.01Å; L923-L925 HydrophobicContact CG-CB 3.97Å; L923-Y927 WeakPolarHBondContact CD2-OH 3.48Å; L923-I965 WeakPolarHBondContact O-CA 3.39Å; L923-N966 PolarHBondContact N-OD1 3.12Å; L923-N966 PolarHBondContact O-N 3.31Å; L923-L989 WeakPolarHBondContact CA-O 3.34Å; L923-L989 HydrophobicContact CB-CB 4.45Å; L923-L989 HydrophobicContact CD1-CB 3.83Å; L923-M991 HydrophobicContact CD1-CB 4.27Å; L923-M991 HydrophobicContact CD1-CG 4.24Å |
| 924 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 122.3 | 164.8 | -68 | -107.4 | 0 | 0 | 0 | 106.5 | L922 I965 L989 H998 V1000 L1022 L1042 C1044 M1054 | L922-F924 HydrophobicContact CB-CD2 4.39Å; L922-F924 HydrophobicContact CB-CE2 3.84Å; L922-F924 HydrophobicContact CD1-CE2 4.25Å; F924-I965 HydrophobicContact CD1-CD1 4.42Å; F924-I965 HydrophobicContact CD1-CG1 4.05Å; F924-I965 HydrophobicContact CE1-CD1 3.59Å; F924-I965 HydrophobicContact CE1-CG1 3.71Å; F924-I965 HydrophobicContact CE1-CG2 4.48Å; F924-I965 HydrophobicContact CE2-CG2 4.22Å; F924-I965 HydrophobicContact CZ-CD1 3.84Å; F924-I965 HydrophobicContact CZ-CG1 4.14Å; F924-I965 HydrophobicContact CZ-CG2 4.13Å; F924-L989 PolarHBondContact N-O 3.22Å; F924-H998 HydrophobicContact CB-CB 3.8Å; F924-H998 WeakPolarHBondContact CB-CD2 3.18Å; F924-H998 HydrophobicContact CD1-CB 4.16Å; F924-H998 HydrophobicContact CG-CB 4.19Å; F924-H998 PolarHBondContact O-NE2 3.17Å; F924-V1000 HydrophobicContact CD1-CG2 4.08Å; F924-V1000 HydrophobicContact CD2-CG2 3.73Å; F924-V1000 HydrophobicContact CE1-CG1 4.2Å; F924-V1000 HydrophobicContact CE1-CG2 3.83Å; F924-V1000 HydrophobicContact CE2-CB 4.28Å; F924-V1000 HydrophobicContact CE2-CG1 3.78Å; F924-V1000 HydrophobicContact CE2-CG2 3.45Å; F924-V1000 VanDerWaalsContact CE2-CG2 3.45Å; F924-V1000 HydrophobicContact CG-CG2 4.07Å; F924-V1000 HydrophobicContact CZ-CB 4.06Å; F924-V1000 HydrophobicContact CZ-CG1 3.42Å; F924-V1000 VanDerWaalsContact CZ-CG1 3.42Å; F924-V1000 HydrophobicContact CZ-CG2 3.52Å; F924-L1022 HydrophobicContact CB-CD1 4.33Å; F924-L1022 HydrophobicContact CD2-CD1 3.76Å; F924-L1022 HydrophobicContact CE2-CD1 4.46Å; F924-L1022 HydrophobicContact CG-CD1 4.22Å; F924-L1042 HydrophobicContact CE1-CD2 4.49Å; F924-L1042 HydrophobicContact CZ-CD2 3.78Å; F924-C1044 HydrophobicContact CD1-CB 4.45Å; F924-M1054 HydrophobicContact CB-SD 4.27Å; F924-M1054 HydrophobicContact CD1-CG 3.98Å; F924-M1054 HydrophobicContact CD1-SD 3.64Å; F924-M1054 HydrophobicContact CE1-CG 4.39Å; F924-M1054 HydrophobicContact CG-SD 4.45Å |
| 925 | L | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 131.8 | -177.2 | 175.6 | 66.6 | 0 | 0 | 0 | 109 | L887 F888 L923 Y927 G964 M991 D996 | L887-L925 HydrophobicContact CD1-CD2 4.44Å; F888-L925 HydrophobicContact CE1-CD1 4.01Å; L923-L925 HydrophobicContact CD1-CB 4.4Å; L923-L925 HydrophobicContact CD2-CB 4Å; L923-L925 HydrophobicContact CD2-CD2 4.01Å; L923-L925 HydrophobicContact CG-CB 3.97Å; L925-Y927 HydrophobicContact CB-CD2 4.35Å; L925-Y927 HydrophobicContact CB-CE2 4.04Å; L925-Y927 HydrophobicContact CD2-CD1 3.9Å; L925-Y927 HydrophobicContact CD2-CD2 4.24Å; L925-Y927 HydrophobicContact CD2-CE1 3.69Å; L925-Y927 HydrophobicContact CD2-CE2 4.04Å; L925-Y927 HydrophobicContact CD2-CG 4.18Å; L925-Y927 HydrophobicContact CG-CD2 4.17Å; L925-Y927 HydrophobicContact CG-CE2 4.19Å; L925-Y927 HydrophobicContact CG-CG 4.36Å; L925-Y927 WeakPolarHBondContact O-CD2 3.29Å; L925-Y927 PolarHBondContact O-N 2.81Å; L925-G964 PolarHBondContact N-O 2.75Å; L925-G964 PolarHBondContact O-N 2.62Å; L925-M991 HydrophobicContact CD1-CB 4.47Å; L925-M991 WeakPolarHBondContact CD1-O 3.44Å; L925-D996 WeakPolarHBondContact CA-OD1 3.23Å |
| 926 | V | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 105.6 | 160.9 | -171.8 | 0 | 0 | 0 | 0 | 107.5 | F888 D928 L961 H963 I995 D996 M1054 | F888-V926 VanDerWaalsContact CE1-O 3.32Å; F888-V926 WeakPolarHBondContact CE1-O 3.34Å; V926-D928 PolarHBondContact O-N 2.65Å; V926-L961 HydrophobicContact CG1-CB 3.93Å; V926-H963 WeakPolarHBondContact CG1-NE2 3.18Å; V926-H963 WeakPolarHBondContact CG2-CD2 3.45Å; V926-I995 HydrophobicContact CB-CD1 3.94Å; V926-I995 HydrophobicContact CB-CG1 4.38Å; V926-I995 HydrophobicContact CG1-CD1 3.78Å; V926-I995 HydrophobicContact CG2-CD1 4.02Å; V926-I995 HydrophobicContact CG2-CG1 4.19Å; V926-D996 WeakPolarHBondContact CG2-OD1 3.34Å; V926-D996 PolarHBondContact N-OD1 3.08Å; V926-M1054 HydrophobicContact CG2-CE 4.05Å |
| 927 | Y | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 98 | 179.2 | -70 | -101.1 | 0 | 0 | 0 | 109.3 | Y746 I806 L923 L925 E929 M962 G967 | Y746-Y927 HydrophobicContact CE1-CD2 4.01Å; Y746-Y927 HydrophobicContact CE1-CG 4Å; Y746-Y927 WeakPolarHBondContact OH-CB 3.33Å; I806-Y927 HydrophobicContact CD1-CE1 4.35Å; I806-Y927 HydrophobicContact CG2-CE1 4.37Å; I806-Y927 WeakPolarHBondContact CG2-OH 3.31Å; L923-Y927 WeakPolarHBondContact CD2-OH 3.48Å; L925-Y927 HydrophobicContact CB-CD2 4.35Å; L925-Y927 HydrophobicContact CB-CE2 4.04Å; L925-Y927 HydrophobicContact CD2-CD1 3.9Å; L925-Y927 HydrophobicContact CD2-CD2 4.24Å; L925-Y927 HydrophobicContact CD2-CE1 3.69Å; L925-Y927 HydrophobicContact CD2-CE2 4.04Å; L925-Y927 HydrophobicContact CD2-CG 4.18Å; L925-Y927 HydrophobicContact CG-CD2 4.17Å; L925-Y927 HydrophobicContact CG-CE2 4.19Å; L925-Y927 HydrophobicContact CG-CG 4.36Å; L925-Y927 WeakPolarHBondContact O-CD2 3.29Å; L925-Y927 PolarHBondContact O-N 2.81Å; Y927-E929 PolarHBondContact O-N 2.78Å; Y927-M962 PolarHBondContact N-O 2.85Å; Y927-M962 PolarHBondContact O-N 3.44Å; Y927-G967 VanDerWaalsContact CE2-CA 3.48Å |
| 928 | D | 98.3 | Very high | 97.7 | Very high | 25 Ų | 25 | 23.6 Ų | 23.6 | 13% | 0.134 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 93.5 | 171.8 | -175.6 | -4.6 | 0 | 0 | 0 | 110.8 | F888 V926 N930 Q931 L961 | F888-D928 WeakPolarHBondContact CB-O 3.47Å; F888-D928 HydrophobicContact CD1-CB 4.05Å; F888-D928 HydrophobicContact CD2-CB 4.41Å; F888-D928 HydrophobicContact CE1-CB 3.99Å; F888-D928 HydrophobicContact CE2-CB 4.33Å; F888-D928 HydrophobicContact CG-CB 4.26Å; F888-D928 HydrophobicContact CZ-CB 4.13Å; V926-D928 PolarHBondContact O-N 2.65Å; D928-N930 PolarHBondContact O-N 2.84Å; D928-N930 WeakPolarHBondContact OD1-CA 3.43Å; D928-N930 WeakPolarHBondContact OD1-CB 3.19Å; D928-N930 PolarHBondContact OD1-N 2.9Å; D928-N930 PolarHBondContact OD1-ND2 3.08Å; D928-Q931 HydrophobicContact CB-CG 4.41Å; D928-Q931 PolarHBondContact O-N 2.83Å; D928-Q931 PolarHBondContact OD1-N 2.85Å; D928-Q931 WeakPolarHBondContact OD2-CG 3.5Å; D928-L961 HydrophobicContact CB-CD2 3.78Å |
| 929 | E | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.9 | 177.1 | -69.7 | -77.4 | -171.8 | 0 | 0 | 112.5 | Y746 Y781 K783 Y927 Q931 S932 N960 M962 | Y746-E929 HydrophobicContact CE2-CG 4.32Å; Y746-E929 WeakPolarHBondContact CE2-OE1 3.14Å; Y746-E929 PolarHBondContact OH-OE1 2.62Å; Y781-E929 HydrophobicContact CD1-CB 3.87Å; Y781-E929 HydrophobicContact CD1-CG 3.58Å; Y781-E929 HydrophobicContact CD2-CG 4.46Å; Y781-E929 HydrophobicContact CE1-CB 3.68Å; Y781-E929 HydrophobicContact CE1-CG 3.7Å; Y781-E929 HydrophobicContact CG-CG 4.01Å; K783-E929 WeakPolarHBondContact CD-OE1 3.26Å; K783-E929 VanDerWaalsContact NZ-CD 3.33Å; K783-E929 IonicContact NZ-OE1 2.62Å; K783-E929 PolarHBondContact NZ-OE1 2.64Å; K783-E929 IonicContact NZ-OE2 3.08Å; Y927-E929 PolarHBondContact O-N 2.78Å; E929-Q931 PolarHBondContact O-N 3.04Å; E929-S932 WeakPolarHBondContact O-CB 3.25Å; E929-S932 PolarHBondContact O-N 3.16Å; E929-S932 VanDerWaalsContact O-N 3.16Å; E929-S932 WeakPolarHBondContact OE2-CB 3.49Å; E929-S932 PolarHBondContact OE2-OG 2.92Å; E929-N960 HydrophobicContact CB-CB 4.07Å; E929-N960 PolarHBondContact N-O 3.42Å; E929-M962 HydrophobicContact CG-CG 4.33Å |
| 930 | N | 97.3 | Very high | 97.9 | Very high | 27 Ų | 27 | 25.3 Ų | 25.3 | 14% | 0.144 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -30.6 | 172.5 | -49.5 | -67.8 | 0 | 0 | 0 | 110.9 | D928 E957 N960 | D928-N930 PolarHBondContact O-N 2.84Å; D928-N930 WeakPolarHBondContact OD1-CA 3.43Å; D928-N930 WeakPolarHBondContact OD1-CB 3.19Å; D928-N930 PolarHBondContact OD1-N 2.9Å; D928-N930 PolarHBondContact OD1-ND2 3.08Å; N930-E957 PolarHBondContact ND2-O 2.74Å; N930-N960 WeakPolarHBondContact OD1-CB 3.26Å; N930-N960 PolarHBondContact OD1-ND2 2.87Å |
| 931 | Q | 97 | Very high | 97.8 | Very high | 75 Ų | 75 | 29.7 Ų | 29.7 | 35% | 0.35 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -86.3 | -9 | 175.6 | -62.1 | -59.6 | -27.6 | 0 | 0 | 113.7 | I884 K885 F888 D928 E929 | I884-Q931 HydrophobicContact CG2-CB 4.43Å; K885-Q931 WeakPolarHBondContact CE-O 3.5Å; K885-Q931 WeakPolarHBondContact CG-O 3.34Å; K885-Q931 PolarHBondContact NZ-O 3.05Å; F888-Q931 HydrophobicContact CB-CB 4.33Å; F888-Q931 HydrophobicContact CD2-CB 3.57Å; F888-Q931 HydrophobicContact CD2-CG 4.16Å; F888-Q931 HydrophobicContact CE2-CB 4.23Å; F888-Q931 HydrophobicContact CE2-CG 4.33Å; F888-Q931 HydrophobicContact CG-CB 4.26Å; D928-Q931 HydrophobicContact CB-CG 4.41Å; D928-Q931 PolarHBondContact O-N 2.83Å; D928-Q931 PolarHBondContact OD1-N 2.85Å; D928-Q931 WeakPolarHBondContact OD2-CG 3.5Å; E929-Q931 PolarHBondContact O-N 3.04Å |
| 932 | S | 97.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.028 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -61.2 | 145.6 | 179.4 | -172.6 | 0 | 0 | 0 | 0 | 112.6 | E929 Y934 | E929-S932 WeakPolarHBondContact O-CB 3.25Å; E929-S932 PolarHBondContact O-N 3.16Å; E929-S932 VanDerWaalsContact O-N 3.16Å; E929-S932 WeakPolarHBondContact OE2-CB 3.49Å; E929-S932 PolarHBondContact OE2-OG 2.92Å; S932-Y934 PolarHBondContact O-N 2.81Å; S932-Y934 PolarHBondContact OG-N 3.29Å |
| 933 | W | 98.1 | Very high | 97.5 | Very high | 81 Ų | 81 | 33.2 Ų | 33.2 | 31% | 0.307 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.4 | 170.9 | -81.4 | 125.7 | 0 | 0 | 0 | 113.8 | R829 Y831 D882 K885 D886 S889 | R829-W933 VanDerWaalsContact CZ-CB 3.44Å; R829-W933 PolarHBondContact NH2-O 2.62Å; R829-W933 VanDerWaalsContact NH2-O 3.09Å; Y831-W933 AromaticContact CE1-CD1 3.95Å; D882-W933 HydrophobicContact CB-CZ2 3.84Å; K885-W933 HydrophobicContact CB-CD2 4Å; K885-W933 HydrophobicContact CB-CG 4.23Å; K885-W933 HydrophobicContact CB-CZ2 3.97Å; K885-W933 HydrophobicContact CD-CD2 4.14Å; K885-W933 HydrophobicContact CD-CE3 4.03Å; K885-W933 HydrophobicContact CD-CH2 3.66Å; K885-W933 HydrophobicContact CD-CZ2 3.74Å; K885-W933 HydrophobicContact CD-CZ3 3.82Å; K885-W933 VanDerWaalsContact CE-CZ3 3.43Å; K885-W933 HydrophobicContact CG-CZ2 4.39Å; D886-W933 PolarHBondContact OD1-NE1 2.87Å; S889-W933 PolarHBondContact OG-N 2.86Å |
| 934 | Y | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 6 | -172 | -58 | -71.3 | 0 | 0 | 0 | 113.1 | E741 K782 V784 Y831 S932 D936 D937 N938 | E741-Y934 HydrophobicContact CG-CE1 4.08Å; E741-Y934 VanDerWaalsContact CG-OH 3.28Å; E741-Y934 WeakPolarHBondContact CG-OH 3.13Å; E741-Y934 VanDerWaalsContact OE1-CE1 3.25Å; E741-Y934 WeakPolarHBondContact OE1-CE1 3.42Å; E741-Y934 PolarHBondContact OE1-OH 2.86Å; K782-Y934 HydrophobicContact CD-CD1 3.73Å; K782-Y934 HydrophobicContact CD-CE1 4.3Å; K782-Y934 HydrophobicContact CD-CG 4.32Å; K782-Y934 HydrophobicContact CG-CD1 3.98Å; K782-Y934 HydrophobicContact CG-CG 4.14Å; K782-Y934 WeakPolarHBondContact O-CB 3.17Å; V784-Y934 HydrophobicContact CB-CE2 3.95Å; V784-Y934 HydrophobicContact CG1-CE2 3.97Å; Y831-Y934 PolarHBondContact OH-OH 2.85Å; S932-Y934 PolarHBondContact O-N 2.81Å; S932-Y934 PolarHBondContact OG-N 3.29Å; Y934-D936 VanDerWaalsContact C-N 3.33Å; Y934-D936 PolarHBondContact O-N 3.21Å; Y934-D937 WeakPolarHBondContact O-CB 3.32Å; Y934-D937 PolarHBondContact O-N 2.92Å; Y934-D937 VanDerWaalsContact O-N 3.11Å; Y934-N938 WeakPolarHBondContact O-CB 3.23Å; Y934-N938 PolarHBondContact O-N 2.95Å; Y934-N938 PolarHBondContact O-ND2 3.16Å; Y934-N938 VanDerWaalsContact O-ND2 3.08Å |
| 935 | L | 97.7 | Very high | 97 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -51.5 | -50.3 | -179.9 | -178.9 | 64.8 | 0 | 0 | 0 | 112.2 | I777 D937 N938 I939 K952 F956 | I777-L935 HydrophobicContact CD1-CD1 4.36Å; L935-D937 VanDerWaalsContact C-N 3.34Å; L935-D937 PolarHBondContact O-N 2.9Å; L935-N938 WeakPolarHBondContact O-CA 3.24Å; L935-N938 WeakPolarHBondContact O-CB 3.46Å; L935-N938 PolarHBondContact O-N 3.26Å; L935-I939 HydrophobicContact CD1-CD1 4.25Å; L935-I939 HydrophobicContact CD1-CG1 4.39Å; L935-I939 HydrophobicContact CD2-CD1 4.5Å; L935-I939 HydrophobicContact CG-CD1 3.93Å; L935-I939 HydrophobicContact CG-CG1 4.47Å; L935-I939 WeakPolarHBondContact O-CG1 3.31Å; L935-I939 PolarHBondContact O-N 3.34Å; L935-K952 VanDerWaalsContact CD2-NZ 3.33Å; L935-F956 HydrophobicContact CD1-CE1 4.25Å; L935-F956 HydrophobicContact CD1-CZ 3.96Å |
| 936 | D | 97.4 | Very high | 96.8 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 49% | 0.492 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.5 | -37.7 | -179.5 | -67.7 | -9.7 | 0 | 0 | 0 | 112.5 | Y934 N938 K940 P947 | Y934-D936 VanDerWaalsContact C-N 3.33Å; Y934-D936 PolarHBondContact O-N 3.21Å; D936-N938 VanDerWaalsContact C-N 3.29Å; D936-N938 PolarHBondContact O-N 3.03Å; D936-K940 WeakPolarHBondContact O-CB 3.42Å; D936-K940 PolarHBondContact O-N 2.97Å; D936-K940 VanDerWaalsContact O-N 3.09Å; D936-P947 HydrophobicContact CB-CB 3.89Å; D936-P947 HydrophobicContact CB-CG 3.98Å; D936-P947 WeakPolarHBondContact O-CG 3.25Å |
| 937 | D | 97 | Very high | 96.5 | Very high | 64 Ų | 64 | 44.6 Ų | 44.6 | 34% | 0.342 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 173.1 | -78.1 | -15.2 | 0 | 0 | 0 | 109.8 | K782 Y934 L935 K940 T941 | K782-D937 HydrophobicContact CD-CB 4.16Å; K782-D937 IonicContact NZ-OD2 2.82Å; K782-D937 PolarHBondContact NZ-OD2 3.06Å; Y934-D937 WeakPolarHBondContact O-CB 3.32Å; Y934-D937 PolarHBondContact O-N 2.92Å; Y934-D937 VanDerWaalsContact O-N 3.11Å; L935-D937 VanDerWaalsContact C-N 3.34Å; L935-D937 PolarHBondContact O-N 2.9Å; D937-K940 PolarHBondContact O-N 2.89Å; D937-T941 VanDerWaalsContact O-CB 3.24Å; D937-T941 WeakPolarHBondContact O-CB 3.07Å; D937-T941 PolarHBondContact O-N 3.29Å; D937-T941 PolarHBondContact O-OG1 2.56Å; D937-T941 VanDerWaalsContact O-OG1 3.08Å |
| 938 | N | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.8 | -44 | -178.3 | -66.3 | -32 | 0 | 0 | 0 | 112.4 | I777 Y781 K782 Y934 L935 D936 K940 T941 Y942 | I777-N938 HydrophobicContact CD1-CB 4.05Å; Y781-N938 HydrophobicContact CD1-CB 4.21Å; K782-N938 WeakPolarHBondContact CB-OD1 3.39Å; K782-N938 PolarHBondContact N-OD1 3.11Å; K782-N938 PolarHBondContact O-ND2 2.95Å; Y934-N938 WeakPolarHBondContact O-CB 3.23Å; Y934-N938 PolarHBondContact O-N 2.95Å; Y934-N938 PolarHBondContact O-ND2 3.16Å; Y934-N938 VanDerWaalsContact O-ND2 3.08Å; L935-N938 WeakPolarHBondContact O-CA 3.24Å; L935-N938 WeakPolarHBondContact O-CB 3.46Å; L935-N938 PolarHBondContact O-N 3.26Å; D936-N938 VanDerWaalsContact C-N 3.29Å; D936-N938 PolarHBondContact O-N 3.03Å; N938-K940 VanDerWaalsContact C-N 3.31Å; N938-K940 PolarHBondContact O-N 2.79Å; N938-T941 PolarHBondContact O-N 3.06Å; N938-Y942 HydrophobicContact CB-CD2 4.07Å; N938-Y942 HydrophobicContact CB-CE2 4.36Å; N938-Y942 WeakPolarHBondContact O-CB 3.46Å; N938-Y942 VanDerWaalsContact O-CD2 3.31Å; N938-Y942 WeakPolarHBondContact O-CD2 3.28Å; N938-Y942 PolarHBondContact O-N 2.99Å |
| 939 | I | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | I | π-helix | trans | -55.5 | -50.1 | 172.7 | -69.7 | 167.6 | 0 | 0 | 0 | 109.4 | I777 L935 T941 L943 G944 V945 P947 F950 F956 | I777-I939 HydrophobicContact CD1-CG1 4.19Å; L935-I939 HydrophobicContact CD1-CD1 4.25Å; L935-I939 HydrophobicContact CD1-CG1 4.39Å; L935-I939 HydrophobicContact CD2-CD1 4.5Å; L935-I939 HydrophobicContact CG-CD1 3.93Å; L935-I939 HydrophobicContact CG-CG1 4.47Å; L935-I939 WeakPolarHBondContact O-CG1 3.31Å; L935-I939 PolarHBondContact O-N 3.34Å; I939-T941 PolarHBondContact O-N 2.88Å; I939-L943 HydrophobicContact CG2-CD1 4.33Å; I939-L943 WeakPolarHBondContact O-CA 3.46Å; I939-L943 VanDerWaalsContact O-CB 3.26Å; I939-L943 WeakPolarHBondContact O-CB 3.17Å; I939-L943 PolarHBondContact O-N 3.1Å; I939-G944 PolarHBondContact O-N 3.33Å; I939-V945 HydrophobicContact CG2-CG2 3.54Å; I939-P947 HydrophobicContact CB-CB 4.36Å; I939-P947 HydrophobicContact CB-CG 4.12Å; I939-P947 HydrophobicContact CD1-CB 4.35Å; I939-P947 HydrophobicContact CG2-CB 4.16Å; I939-P947 HydrophobicContact CG2-CG 3.97Å; I939-F950 HydrophobicContact CD1-CD1 4.3Å; I939-F950 HydrophobicContact CG2-CB 4.48Å; I939-F950 HydrophobicContact CG2-CD1 4.44Å; I939-F950 HydrophobicContact CG2-CG 4.43Å; I939-F956 HydrophobicContact CD1-CZ 3.81Å; I939-F956 HydrophobicContact CG1-CE2 4.19Å; I939-F956 HydrophobicContact CG1-CZ 3.79Å |
| 940 | K | 96.6 | Very high | 95.4 | Very high | 142 Ų | 142 | 54 Ų | 54 | 62% | 0.617 | 31% | 0.313 | S | S | * | . | I | π-helix | trans | -64.4 | -42.1 | -179.4 | -176 | 176.4 | 179.7 | 175.2 | 0 | 112.7 | D936 D937 N938 G944 P947 | D936-K940 WeakPolarHBondContact O-CB 3.42Å; D936-K940 PolarHBondContact O-N 2.97Å; D936-K940 VanDerWaalsContact O-N 3.09Å; D937-K940 PolarHBondContact O-N 2.89Å; N938-K940 VanDerWaalsContact C-N 3.31Å; N938-K940 PolarHBondContact O-N 2.79Å; K940-G944 WeakPolarHBondContact O-CA 3.5Å; K940-G944 PolarHBondContact O-N 2.95Å; K940-P947 HydrophobicContact CB-CG 4.2Å |
| 941 | T | 96.4 | Very high | 95 | Very high | 97 Ų | 97 | 61 Ų | 61 | 60% | 0.595 | 34% | 0.341 | S | S | * | . | I | π-helix | trans | -75.7 | -41.5 | -175.3 | -71.6 | 0 | 0 | 0 | 0 | 112.7 | D937 N938 I939 | D937-T941 VanDerWaalsContact O-CB 3.24Å; D937-T941 WeakPolarHBondContact O-CB 3.07Å; D937-T941 PolarHBondContact O-N 3.29Å; D937-T941 PolarHBondContact O-OG1 2.56Å; D937-T941 VanDerWaalsContact O-OG1 3.08Å; N938-T941 PolarHBondContact O-N 3.06Å; I939-T941 PolarHBondContact O-N 2.88Å |
| 942 | Y | 96.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 61.1 Ų | 61.1 | 16% | 0.161 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -103.5 | -29.2 | -169.6 | -60 | -67.1 | 0 | 0 | 0 | 114 | E743 I777 R780 N938 | E743-Y942 WeakPolarHBondContact CG-OH 3.39Å; E743-Y942 PolarHBondContact OE1-OH 3.13Å; I777-Y942 HydrophobicContact CG2-CD2 3.88Å; I777-Y942 HydrophobicContact CG2-CG 4.12Å; R780-Y942 HydrophobicContact CB-CD1 4.37Å; R780-Y942 HydrophobicContact CB-CE1 3.74Å; R780-Y942 HydrophobicContact CB-CE2 4.5Å; R780-Y942 VanDerWaalsContact O-CD2 3.23Å; R780-Y942 WeakPolarHBondContact O-CD2 3.03Å; R780-Y942 WeakPolarHBondContact O-CE2 3.43Å; N938-Y942 HydrophobicContact CB-CD2 4.07Å; N938-Y942 HydrophobicContact CB-CE2 4.36Å; N938-Y942 WeakPolarHBondContact O-CB 3.46Å; N938-Y942 VanDerWaalsContact O-CD2 3.31Å; N938-Y942 WeakPolarHBondContact O-CD2 3.28Å; N938-Y942 PolarHBondContact O-N 2.99Å |
| 943 | L | 94.4 | Very high | 94.6 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 17% | 0.173 | 36% | 0.355 | C | S | . | . | I | π-helix | trans | -95.4 | -24.5 | 172.8 | -59.4 | 179.7 | 0 | 0 | 0 | 112.6 | R776 I777 I939 V945 F950 F956 | R776-L943 WeakPolarHBondContact O-CD2 3.06Å; I777-L943 HydrophobicContact CG1-CD1 4.16Å; I777-L943 HydrophobicContact CG1-CG 4.09Å; I939-L943 HydrophobicContact CG2-CD1 4.33Å; I939-L943 WeakPolarHBondContact O-CA 3.46Å; I939-L943 VanDerWaalsContact O-CB 3.26Å; I939-L943 WeakPolarHBondContact O-CB 3.17Å; I939-L943 PolarHBondContact O-N 3.1Å; L943-V945 VanDerWaalsContact C-N 3.26Å; L943-V945 HydrophobicContact CB-CG2 3.89Å; L943-V945 HydrophobicContact CD1-CG2 4.47Å; L943-V945 PolarHBondContact O-N 2.68Å; L943-F950 HydrophobicContact CD1-CE1 4.32Å; L943-F950 HydrophobicContact CD1-CE2 4.15Å; L943-F950 HydrophobicContact CD1-CZ 3.91Å; L943-F956 HydrophobicContact CD1-CD2 4.48Å; L943-F956 HydrophobicContact CD1-CE2 3.98Å |
| 944 | G | 93.2 | Very high | 94.2 | Very high | 66 Ų | 66 | 67.8 Ų | 67.8 | 68% | 0.68 | 38% | 0.377 | S | S | * | . | trans | 73.3 | 17.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | I939 K940 | I939-G944 PolarHBondContact O-N 3.33Å; K940-G944 WeakPolarHBondContact O-CA 3.5Å; K940-G944 PolarHBondContact O-N 2.95Å | ||
| 945 | V | 94 | Very high | 93.9 | Very high | 56 Ų | 56 | 72 Ų | 72 | 34% | 0.339 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -106.9 | 162.9 | 179.2 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | I939 L943 P947 F950 | I939-V945 HydrophobicContact CG2-CG2 3.54Å; L943-V945 VanDerWaalsContact C-N 3.26Å; L943-V945 HydrophobicContact CB-CG2 3.89Å; L943-V945 HydrophobicContact CD1-CG2 4.47Å; L943-V945 PolarHBondContact O-N 2.68Å; V945-P947 WeakPolarHBondContact O-CD 3.29Å; V945-F950 HydrophobicContact CG2-CB 4.06Å; V945-F950 HydrophobicContact CG2-CD2 3.65Å; V945-F950 HydrophobicContact CG2-CE2 4.37Å; V945-F950 HydrophobicContact CG2-CG 3.97Å |
| 946 | D | 92.8 | Very high | 93.8 | Very high | 99 Ų | 99 | 71.5 Ų | 71.5 | 53% | 0.529 | 40% | 0.397 | S | S | . | . | trans | -79.4 | 117.5 | 175.9 | 178.9 | 41.2 | 0 | 0 | 0 | 110.5 | G948 T949 F950 | D946-G948 PolarHBondContact O-N 3.09Å; D946-G948 VanDerWaalsContact O-N 3.16Å; D946-T949 PolarHBondContact O-N 2.82Å; D946-T949 VanDerWaalsContact O-N 3.13Å; D946-T949 PolarHBondContact O-OG1 2.77Å; D946-F950 PolarHBondContact O-N 2.85Å; D946-F950 VanDerWaalsContact O-N 3.14Å | ||
| 947 | P | 91.8 | Very high | 93.8 | Very high | 20 Ų | 20 | 71.8 Ų | 71.8 | 13% | 0.13 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -30.8 | -175.7 | -23.3 | 32.8 | 0 | 0 | 0 | 113.8 | D936 I939 K940 V945 T949 | D936-P947 HydrophobicContact CB-CB 3.89Å; D936-P947 HydrophobicContact CB-CG 3.98Å; D936-P947 WeakPolarHBondContact O-CG 3.25Å; I939-P947 HydrophobicContact CB-CB 4.36Å; I939-P947 HydrophobicContact CB-CG 4.12Å; I939-P947 HydrophobicContact CD1-CB 4.35Å; I939-P947 HydrophobicContact CG2-CB 4.16Å; I939-P947 HydrophobicContact CG2-CG 3.97Å; K940-P947 HydrophobicContact CB-CG 4.2Å; V945-P947 WeakPolarHBondContact O-CD 3.29Å; P947-T949 VanDerWaalsContact C-N 3.26Å; P947-T949 PolarHBondContact O-N 3.48Å |
| 948 | G | 89.9 | Confident | 93.7 | Very high | 71 Ų | 71 | 71.9 Ų | 71.9 | 73% | 0.732 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -14.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D946 | D946-G948 PolarHBondContact O-N 3.09Å; D946-G948 VanDerWaalsContact O-N 3.16Å |
| 949 | T | 90.3 | Very high | 93.7 | Very high | 116 Ų | 116 | 71.9 Ų | 71.9 | 71% | 0.712 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.5 | -6.8 | 178.9 | 56 | 0 | 0 | 0 | 0 | 113.3 | D946 P947 | D946-T949 PolarHBondContact O-N 2.82Å; D946-T949 VanDerWaalsContact O-N 3.13Å; D946-T949 PolarHBondContact O-OG1 2.77Å; P947-T949 VanDerWaalsContact C-N 3.26Å; P947-T949 PolarHBondContact O-N 3.48Å |
| 950 | F | 92.3 | Very high | 93.7 | Very high | 41 Ų | 41 | 71.9 Ų | 71.9 | 18% | 0.18 | 39% | 0.394 | C | S | . | . | trans | -73.6 | 126.5 | 177.6 | 179.8 | -103.9 | 0 | 0 | 0 | 110.4 | N775 I939 L943 V945 D946 K952 F956 | N775-F950 HydrophobicContact CB-CZ 4.31Å; I939-F950 HydrophobicContact CD1-CD1 4.3Å; I939-F950 HydrophobicContact CG2-CB 4.48Å; I939-F950 HydrophobicContact CG2-CD1 4.44Å; I939-F950 HydrophobicContact CG2-CG 4.43Å; L943-F950 HydrophobicContact CD1-CE1 4.32Å; L943-F950 HydrophobicContact CD1-CE2 4.15Å; L943-F950 HydrophobicContact CD1-CZ 3.91Å; V945-F950 HydrophobicContact CG2-CB 4.06Å; V945-F950 HydrophobicContact CG2-CD2 3.65Å; V945-F950 HydrophobicContact CG2-CE2 4.37Å; V945-F950 HydrophobicContact CG2-CG 3.97Å; D946-F950 PolarHBondContact O-N 2.85Å; D946-F950 VanDerWaalsContact O-N 3.14Å; F950-K952 HydrophobicContact CD1-CG 3.99Å; F950-K952 HydrophobicContact CE1-CG 4.11Å; F950-F956 HydrophobicContact CD1-CE2 4.47Å; F950-F956 HydrophobicContact CE1-CD1 4.23Å; F950-F956 AromaticContact CE1-CD2 3.43Å; F950-F956 HydrophobicContact CE1-CD2 3.43Å; F950-F956 VanDerWaalsContact CE1-CD2 3.43Å; F950-F956 HydrophobicContact CE1-CE1 4.3Å; F950-F956 AromaticContact CE1-CE2 3.52Å; F950-F956 HydrophobicContact CE1-CE2 3.52Å; F950-F956 AromaticContact CE1-CG 3.81Å; F950-F956 HydrophobicContact CE1-CG 3.81Å; F950-F956 AromaticContact CE1-CZ 3.96Å; F950-F956 HydrophobicContact CE1-CZ 3.96Å; F950-F956 AromaticContact CZ-CD2 3.67Å; F950-F956 HydrophobicContact CZ-CD2 3.67Å; F950-F956 HydrophobicContact CZ-CE2 4.03Å; F950-F956 HydrophobicContact CZ-CG 4.24Å | ||
| 951 | K | 89.9 | Confident | 93.8 | Very high | 172 Ų | 172 | 66.4 Ų | 66.4 | 75% | 0.748 | 37% | 0.371 | S | S | * | . | trans | -82.9 | 122.1 | 173.5 | -171.1 | -173.8 | 177.9 | -163.5 | 0 | 108.3 | ||||
| 952 | K | 92.1 | Very high | 93.9 | Very high | 78 Ų | 78 | 61.8 Ų | 61.8 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | trans | -89.2 | 107.7 | 172.7 | -56.6 | 173.9 | -172.2 | 175.4 | 0 | 106.3 | L935 F950 F956 | L935-K952 VanDerWaalsContact CD2-NZ 3.33Å; F950-K952 HydrophobicContact CD1-CG 3.99Å; F950-K952 HydrophobicContact CE1-CG 4.11Å; K952-F956 HydrophobicContact CB-CD1 3.63Å; K952-F956 HydrophobicContact CB-CE1 4.09Å; K952-F956 HydrophobicContact CB-CG 4.41Å; K952-F956 HydrophobicContact CD-CD1 4.31Å; K952-F956 HydrophobicContact CD-CE1 3.9Å; K952-F956 HydrophobicContact CG-CD1 3.72Å; K952-F956 HydrophobicContact CG-CE1 3.65Å; K952-F956 HydrophobicContact CG-CZ 4.47Å | ||
| 953 | D | 92.5 | Very high | 94 | Very high | 60 Ų | 60 | 60 Ų | 60 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | trans | -92.2 | 173.4 | 172 | 51 | 13.7 | 0 | 0 | 0 | 110.1 | N775 D955 F956 E957 | N775-D953 PolarHBondContact ND2-OD1 3.24Å; N775-D953 PolarHBondContact ND2-OD2 2.94Å; D953-D955 VanDerWaalsContact C-N 3.3Å; D953-D955 PolarHBondContact O-N 3.31Å; D953-F956 WeakPolarHBondContact O-CB 3.26Å; D953-F956 PolarHBondContact O-N 2.84Å; D953-F956 VanDerWaalsContact OD1-CB 3.22Å; D953-F956 WeakPolarHBondContact OD1-CB 3.26Å; D953-F956 PolarHBondContact OD1-N 3.01Å; D953-E957 PolarHBondContact O-N 3.46Å | ||
| 954 | E | 90.8 | Very high | 94.1 | Very high | 166 Ų | 166 | 58.4 Ų | 58.4 | 78% | 0.776 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -55.1 | -45.3 | 179.2 | -71 | 162.5 | -157.3 | 0 | 0 | 111.4 | F956 E957 E958 | E954-F956 VanDerWaalsContact C-N 3.28Å; E954-F956 PolarHBondContact O-N 2.77Å; E954-E957 PolarHBondContact O-N 3.23Å; E954-E958 WeakPolarHBondContact O-CB 3.13Å; E954-E958 PolarHBondContact O-N 2.97Å |
| 955 | D | 91.6 | Very high | 94.3 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55 | -40.3 | 174 | -82.5 | 7 | 0 | 0 | 0 | 113 | D953 S959 | D953-D955 VanDerWaalsContact C-N 3.3Å; D953-D955 PolarHBondContact O-N 3.31Å; D955-S959 VanDerWaalsContact O-CB 3.24Å; D955-S959 WeakPolarHBondContact O-CB 3.47Å; D955-S959 PolarHBondContact O-N 2.96Å; D955-S959 PolarHBondContact O-OG 3.16Å |
| 956 | F | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 176.3 | 173.3 | -90.2 | 0 | 0 | 0 | 111.1 | N775 I777 L935 I939 L943 F950 K952 D953 E954 S959 N960 | N775-F956 VanDerWaalsContact O-CD2 3.29Å; N775-F956 WeakPolarHBondContact O-CD2 3.27Å; I777-F956 HydrophobicContact CD1-CE2 4.02Å; I777-F956 HydrophobicContact CD1-CZ 4.11Å; I777-F956 HydrophobicContact CG1-CE2 4.14Å; L935-F956 HydrophobicContact CD1-CE1 4.25Å; L935-F956 HydrophobicContact CD1-CZ 3.96Å; I939-F956 HydrophobicContact CD1-CZ 3.81Å; I939-F956 HydrophobicContact CG1-CE2 4.19Å; I939-F956 HydrophobicContact CG1-CZ 3.79Å; L943-F956 HydrophobicContact CD1-CD2 4.48Å; L943-F956 HydrophobicContact CD1-CE2 3.98Å; F950-F956 HydrophobicContact CD1-CE2 4.47Å; F950-F956 HydrophobicContact CE1-CD1 4.23Å; F950-F956 AromaticContact CE1-CD2 3.43Å; F950-F956 HydrophobicContact CE1-CD2 3.43Å; F950-F956 VanDerWaalsContact CE1-CD2 3.43Å; F950-F956 HydrophobicContact CE1-CE1 4.3Å; F950-F956 AromaticContact CE1-CE2 3.52Å; F950-F956 HydrophobicContact CE1-CE2 3.52Å; F950-F956 AromaticContact CE1-CG 3.81Å; F950-F956 HydrophobicContact CE1-CG 3.81Å; F950-F956 AromaticContact CE1-CZ 3.96Å; F950-F956 HydrophobicContact CE1-CZ 3.96Å; F950-F956 AromaticContact CZ-CD2 3.67Å; F950-F956 HydrophobicContact CZ-CD2 3.67Å; F950-F956 HydrophobicContact CZ-CE2 4.03Å; F950-F956 HydrophobicContact CZ-CG 4.24Å; K952-F956 HydrophobicContact CB-CD1 3.63Å; K952-F956 HydrophobicContact CB-CE1 4.09Å; K952-F956 HydrophobicContact CB-CG 4.41Å; K952-F956 HydrophobicContact CD-CD1 4.31Å; K952-F956 HydrophobicContact CD-CE1 3.9Å; K952-F956 HydrophobicContact CG-CD1 3.72Å; K952-F956 HydrophobicContact CG-CE1 3.65Å; K952-F956 HydrophobicContact CG-CZ 4.47Å; D953-F956 WeakPolarHBondContact O-CB 3.26Å; D953-F956 PolarHBondContact O-N 2.84Å; D953-F956 VanDerWaalsContact OD1-CB 3.22Å; D953-F956 WeakPolarHBondContact OD1-CB 3.26Å; D953-F956 PolarHBondContact OD1-N 3.01Å; E954-F956 VanDerWaalsContact C-N 3.28Å; E954-F956 PolarHBondContact O-N 2.77Å; F956-S959 PolarHBondContact O-N 3.21Å; F956-S959 PolarHBondContact O-OG 2.99Å; F956-N960 WeakPolarHBondContact CE1-ND2 3.44Å; F956-N960 WeakPolarHBondContact CZ-ND2 3.33Å; F956-N960 PolarHBondContact O-N 2.85Å; F956-N960 PolarHBondContact O-ND2 3.44Å |
| 957 | E | 96 | Very high | 94.8 | Very high | 97 Ų | 97 | 47.9 Ų | 47.9 | 45% | 0.453 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 179.5 | -68.4 | -177.2 | 170.2 | 0 | 0 | 110.8 | N930 D953 E954 S959 N960 | N930-E957 PolarHBondContact ND2-O 2.74Å; D953-E957 PolarHBondContact O-N 3.46Å; E954-E957 PolarHBondContact O-N 3.23Å; E957-S959 PolarHBondContact O-N 2.98Å; E957-N960 WeakPolarHBondContact O-CB 3.43Å; E957-N960 PolarHBondContact O-N 3.3Å; E957-N960 VanDerWaalsContact O-N 3.11Å |
| 958 | E | 95.6 | Very high | 95.1 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 31% | 0.313 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 175.3 | -174.7 | 56.5 | -149.3 | 0 | 0 | 111.8 | I768 F769 E954 N960 L961 | I768-E958 HydrophobicContact CG1-CG 4.03Å; F769-E958 HydrophobicContact CE1-CG 4.27Å; F769-E958 VanDerWaalsContact CE1-OE1 3.23Å; F769-E958 WeakPolarHBondContact CE1-OE1 3.41Å; F769-E958 WeakPolarHBondContact CZ-OE1 2.92Å; E954-E958 WeakPolarHBondContact O-CB 3.13Å; E954-E958 PolarHBondContact O-N 2.97Å; E958-N960 PolarHBondContact O-N 3.17Å; E958-L961 PolarHBondContact O-N 2.77Å; E958-L961 WeakPolarHBondContact OE2-CD1 3.47Å |
| 959 | S | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -16.7 | 178.2 | 77.8 | 0 | 0 | 0 | 0 | 114.4 | I768 D955 F956 E957 | I768-S959 WeakPolarHBondContact O-CA 3.48Å; I768-S959 WeakPolarHBondContact O-CB 3.32Å; D955-S959 VanDerWaalsContact O-CB 3.24Å; D955-S959 WeakPolarHBondContact O-CB 3.47Å; D955-S959 PolarHBondContact O-N 2.96Å; D955-S959 PolarHBondContact O-OG 3.16Å; F956-S959 PolarHBondContact O-N 3.21Å; F956-S959 PolarHBondContact O-OG 2.99Å; E957-S959 PolarHBondContact O-N 2.98Å |
| 960 | N | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 2.2 | -178.6 | -67.9 | -39.5 | 0 | 0 | 0 | 113.3 | Y781 E929 N930 F956 E957 E958 M962 | Y781-N960 WeakPolarHBondContact CE1-OD1 3.24Å; Y781-N960 PolarHBondContact OH-OD1 3.37Å; E929-N960 HydrophobicContact CB-CB 4.07Å; E929-N960 PolarHBondContact N-O 3.42Å; N930-N960 WeakPolarHBondContact OD1-CB 3.26Å; N930-N960 PolarHBondContact OD1-ND2 2.87Å; F956-N960 WeakPolarHBondContact CE1-ND2 3.44Å; F956-N960 WeakPolarHBondContact CZ-ND2 3.33Å; F956-N960 PolarHBondContact O-N 2.85Å; F956-N960 PolarHBondContact O-ND2 3.44Å; E957-N960 WeakPolarHBondContact O-CB 3.43Å; E957-N960 PolarHBondContact O-N 3.3Å; E957-N960 VanDerWaalsContact O-N 3.11Å; E958-N960 PolarHBondContact O-N 3.17Å; N960-M962 PolarHBondContact O-N 3.08Å |
| 961 | L | 97.9 | Very high | 96 | Very high | 28 Ų | 28 | 38.4 Ų | 38.4 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 94.1 | 170.6 | -60.4 | -173.6 | 0 | 0 | 0 | 109.6 | F769 V926 D928 E958 H963 | F769-L961 WeakPolarHBondContact CD1-O 3.5Å; V926-L961 HydrophobicContact CG1-CB 3.93Å; D928-L961 HydrophobicContact CB-CD2 3.78Å; E958-L961 PolarHBondContact O-N 2.77Å; E958-L961 WeakPolarHBondContact OE2-CD1 3.47Å; L961-H963 PolarHBondContact O-CE1 2.85Å; L961-H963 PolarHBondContact O-N 3.08Å; L961-H963 PolarHBondContact O-ND1 3.13Å |
| 962 | M | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 92.6 | -171.3 | -49.6 | -60.7 | -67.3 | 0 | 0 | 111.6 | Y746 F769 V770 Y781 Y927 E929 N960 G964 L969 | Y746-M962 HydrophobicContact CD1-CB 3.81Å; Y746-M962 HydrophobicContact CD1-CE 4.47Å; Y746-M962 HydrophobicContact CD1-CG 4.36Å; Y746-M962 HydrophobicContact CD2-CB 4.26Å; Y746-M962 HydrophobicContact CD2-CE 3.69Å; Y746-M962 HydrophobicContact CD2-CG 3.9Å; Y746-M962 HydrophobicContact CE1-CB 3.66Å; Y746-M962 HydrophobicContact CE1-CG 4.2Å; Y746-M962 HydrophobicContact CE2-CB 4.13Å; Y746-M962 HydrophobicContact CE2-CE 4.46Å; Y746-M962 HydrophobicContact CE2-CG 3.71Å; Y746-M962 HydrophobicContact CG-CB 4.11Å; Y746-M962 HydrophobicContact CG-CE 3.7Å; Y746-M962 HydrophobicContact CG-CG 4.22Å; F769-M962 HydrophobicContact CB-CE 4.42Å; F769-M962 HydrophobicContact CB-SD 4.38Å; V770-M962 HydrophobicContact CG1-CE 4.27Å; Y781-M962 HydrophobicContact CE2-CE 4.39Å; Y781-M962 HydrophobicContact CE2-CG 4.43Å; Y781-M962 HydrophobicContact CE2-SD 4.25Å; Y927-M962 PolarHBondContact N-O 2.85Å; Y927-M962 PolarHBondContact O-N 3.44Å; E929-M962 HydrophobicContact CG-CG 4.33Å; N960-M962 PolarHBondContact O-N 3.08Å; M962-G964 PolarHBondContact O-N 2.8Å; M962-L969 HydrophobicContact CB-CD1 4.47Å; M962-L969 HydrophobicContact CE-CD2 3.86Å |
| 963 | H | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 84.9 | -177.5 | -62.6 | 85 | 0 | 0 | 0 | 113.5 | F769 V926 L961 L969 D1048 H1049 S1052 G1053 M1054 | F769-H963 AromaticContact CE1-ND1 4Å; V926-H963 WeakPolarHBondContact CG1-NE2 3.18Å; V926-H963 WeakPolarHBondContact CG2-CD2 3.45Å; L961-H963 PolarHBondContact O-CE1 2.85Å; L961-H963 PolarHBondContact O-N 3.08Å; L961-H963 PolarHBondContact O-ND1 3.13Å; H963-L969 WeakPolarHBondContact O-CG 3.36Å; H963-D1048 IonicContact CD2-OD2 3.9Å; H963-D1048 IonicContact CE1-OD2 2.86Å; H963-D1048 IonicContact NE2-OD2 2.98Å; H963-H1049 AromaticContact CD2-CD2 3.49Å; H963-H1049 PolarHBondContact CD2-CD2 3.13Å; H963-H1049 VanDerWaalsContact CD2-CD2 3.49Å; H963-S1052 VanDerWaalsContact ND1-CB 3.26Å; H963-S1052 WeakPolarHBondContact ND1-CB 3.26Å; H963-G1053 CarbonylContact O-C 3.47Å; H963-M1054 HydrophobicContact CB-CB 4.43Å; H963-M1054 HydrophobicContact CB-CE 4.05Å; H963-M1054 WeakPolarHBondContact O-CA 3.37Å; H963-M1054 PolarHBondContact O-N 2.94Å |
| 964 | G | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 153.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | L925 M962 R968 | L925-G964 PolarHBondContact N-O 2.75Å; L925-G964 PolarHBondContact O-N 2.62Å; M962-G964 PolarHBondContact O-N 2.8Å; G964-R968 WeakPolarHBondContact CA-O 3.38Å |
| 965 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.5 | 165.9 | -48.2 | 177.2 | 0 | 0 | 0 | 108.1 | L922 L923 F924 G967 R968 L973 L1042 M1054 T1056 | L922-I965 HydrophobicContact CB-CG2 4.35Å; L922-I965 HydrophobicContact CD2-CG2 4.05Å; L923-I965 WeakPolarHBondContact O-CA 3.39Å; F924-I965 HydrophobicContact CD1-CD1 4.42Å; F924-I965 HydrophobicContact CD1-CG1 4.05Å; F924-I965 HydrophobicContact CE1-CD1 3.59Å; F924-I965 HydrophobicContact CE1-CG1 3.71Å; F924-I965 HydrophobicContact CE1-CG2 4.48Å; F924-I965 HydrophobicContact CE2-CG2 4.22Å; F924-I965 HydrophobicContact CZ-CD1 3.84Å; F924-I965 HydrophobicContact CZ-CG1 4.14Å; F924-I965 HydrophobicContact CZ-CG2 4.13Å; I965-G967 PolarHBondContact O-N 3.43Å; I965-G967 VanDerWaalsContact O-N 3.16Å; I965-R968 PolarHBondContact N-O 2.74Å; I965-R968 PolarHBondContact O-N 2.82Å; I965-L973 HydrophobicContact CB-CD2 3.96Å; I965-L973 HydrophobicContact CG2-CD2 3.57Å; I965-L1042 HydrophobicContact CD1-CD2 3.68Å; I965-M1054 HydrophobicContact CD1-CG 4.46Å; I965-M1054 HydrophobicContact CG1-CG 3.76Å; I965-T1056 HydrophobicContact CD1-CG2 4.15Å |
| 966 | N | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 36.4 | -170.7 | -62.2 | -17 | 0 | 0 | 0 | 113 | H803 S805 I806 L807 A921 L922 L923 L973 | H803-N966 PolarHBondContact O-ND2 2.95Å; S805-N966 WeakPolarHBondContact CB-O 3.43Å; S805-N966 PolarHBondContact OG-O 2.92Å; I806-N966 WeakPolarHBondContact CG2-O 3.03Å; I806-N966 PolarHBondContact N-O 2.95Å; L807-N966 HydrophobicContact CD1-CB 4.5Å; L807-N966 WeakPolarHBondContact CD1-OD1 3.22Å; A921-N966 PolarHBondContact O-ND2 3.42Å; L922-N966 WeakPolarHBondContact CA-OD1 3.23Å; L923-N966 PolarHBondContact N-OD1 3.12Å; L923-N966 PolarHBondContact O-N 3.31Å; N966-L973 HydrophobicContact CB-CD1 3.99Å; N966-L973 HydrophobicContact CB-CD2 4.35Å |
| 967 | G | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 27.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | W744 Y746 Y927 I965 | W744-G967 WeakPolarHBondContact CZ2-O 3.04Å; W744-G967 PolarHBondContact NE1-O 2.74Å; Y746-G967 VanDerWaalsContact CD1-O 3.28Å; Y746-G967 WeakPolarHBondContact CD1-O 3.31Å; Y927-G967 VanDerWaalsContact CE2-CA 3.48Å; I965-G967 PolarHBondContact O-N 3.43Å; I965-G967 VanDerWaalsContact O-N 3.16Å |
| 968 | R | 98.5 | Very high | 97.6 | Very high | 50 Ų | 50 | 15.4 Ų | 15.4 | 19% | 0.189 | 8% | 0.076 | C | C | . | . | B | Isolated β-bridge | trans | -126.6 | 141 | 173.2 | -60.7 | -67 | -178.2 | 171.5 | -0.8 | 110.6 | W744 D745 Y746 S805 G964 I965 N972 L973 | W744-R968 VanDerWaalsContact CH2-CZ 3.5Å; W744-R968 HydrophobicContact CZ2-CG 4.38Å; D745-R968 PolarHBondContact O-NH1 3.46Å; Y746-R968 WeakPolarHBondContact O-CA 3.42Å; S805-R968 WeakPolarHBondContact OG-CG 3.31Å; S805-R968 PolarHBondContact OG-NE 3.07Å; G964-R968 WeakPolarHBondContact CA-O 3.38Å; I965-R968 PolarHBondContact N-O 2.74Å; I965-R968 PolarHBondContact O-N 2.82Å; R968-N972 HydrophobicContact CB-CB 4.2Å; R968-L973 HydrophobicContact CB-CB 3.99Å; R968-L973 HydrophobicContact CG-CB 4.41Å; R968-L973 HydrophobicContact CG-CD1 4.23Å |
| 969 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -112.5 | 158.5 | -179.2 | -78.8 | 58.1 | 0 | 0 | 0 | 110.8 | Y746 V770 M962 H963 G971 N972 G1053 | Y746-L969 HydrophobicContact CD1-CD1 3.88Å; Y746-L969 HydrophobicContact CG-CD1 4.37Å; Y746-L969 PolarHBondContact O-N 3.06Å; V770-L969 HydrophobicContact CG1-CD2 4.18Å; M962-L969 HydrophobicContact CB-CD1 4.47Å; M962-L969 HydrophobicContact CE-CD2 3.86Å; H963-L969 WeakPolarHBondContact O-CG 3.36Å; L969-G971 PolarHBondContact O-N 3.17Å; L969-N972 VanDerWaalsContact O-CB 3.26Å; L969-N972 WeakPolarHBondContact O-CB 3.24Å; L969-N972 PolarHBondContact O-N 3.1Å; L969-N972 VanDerWaalsContact O-N 3.12Å; L969-N972 PolarHBondContact O-ND2 2.77Å; L969-G1053 CarbonylContact C-O 3.48Å; L969-G1053 VanDerWaalsContact CA-O 3.32Å; L969-G1053 WeakPolarHBondContact CA-O 3.42Å | ||
| 970 | Y | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 53.7 | 168.2 | -50.8 | -72.8 | 0 | 0 | 0 | 114.4 | W752 E753 G766 F769 V770 N972 H1051 S1052 G1053 | W752-Y970 VanDerWaalsContact CE3-O 3.31Å; E753-Y970 HydrophobicContact CB-CD1 4.13Å; E753-Y970 HydrophobicContact CB-CG 3.91Å; E753-Y970 HydrophobicContact CG-CD1 3.73Å; E753-Y970 HydrophobicContact CG-CD2 4.34Å; E753-Y970 HydrophobicContact CG-CE1 4.12Å; E753-Y970 HydrophobicContact CG-CG 3.86Å; G766-Y970 WeakPolarHBondContact CA-OH 3.36Å; F769-Y970 WeakPolarHBondContact CD2-OH 3.25Å; V770-Y970 HydrophobicContact CG1-CD2 4.36Å; V770-Y970 HydrophobicContact CG1-CE2 3.98Å; V770-Y970 HydrophobicContact CG2-CE2 4.24Å; Y970-N972 PolarHBondContact O-N 3.02Å; Y970-N972 PolarHBondContact O-ND2 3.14Å; Y970-H1051 PolarHBondContact OH-O 3.49Å; Y970-S1052 WeakPolarHBondContact OH-CA 3.16Å; Y970-S1052 PolarHBondContact OH-O 3.39Å; Y970-G1053 VanDerWaalsContact CD1-CA 3.46Å; Y970-G1053 PolarHBondContact N-O 3.17Å |
| 971 | G | 96.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 8.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L969 L973 R974 E1055 | L969-G971 PolarHBondContact O-N 3.17Å; G971-L973 VanDerWaalsContact C-N 3.32Å; G971-R974 PolarHBondContact O-NH1 2.91Å; G971-R974 VanDerWaalsContact O-NH1 3.08Å; G971-E1055 PolarHBondContact N-O 3.18Å |
| 972 | N | 98.3 | Very high | 97.2 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 8% | 0.075 | 11% | 0.111 | C | C | . | . | trans | -78.8 | -9.4 | 177.3 | -74.4 | -79.6 | 0 | 0 | 0 | 113.9 | S747 T749 R968 L969 Y970 R974 | S747-N972 PolarHBondContact OG-ND2 3.5Å; S747-N972 VanDerWaalsContact OG-ND2 3.08Å; T749-N972 PolarHBondContact N-OD1 3Å; T749-N972 PolarHBondContact O-ND2 2.88Å; T749-N972 PolarHBondContact O-OD1 3.3Å; T749-N972 PolarHBondContact OG1-OD1 2.88Å; T749-N972 VanDerWaalsContact OG1-OD1 3.06Å; R968-N972 HydrophobicContact CB-CB 4.2Å; L969-N972 VanDerWaalsContact O-CB 3.26Å; L969-N972 WeakPolarHBondContact O-CB 3.24Å; L969-N972 PolarHBondContact O-N 3.1Å; L969-N972 VanDerWaalsContact O-N 3.12Å; L969-N972 PolarHBondContact O-ND2 2.77Å; Y970-N972 PolarHBondContact O-N 3.02Å; Y970-N972 PolarHBondContact O-ND2 3.14Å; N972-R974 PolarHBondContact O-N 2.82Å | ||
| 973 | L | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | trans | -73.3 | 117.4 | 171.5 | -173.8 | 60.1 | 0 | 0 | 0 | 110.4 | H803 L922 I965 N966 R968 G971 L976 T1056 | H803-L973 WeakPolarHBondContact O-CD1 3.36Å; L922-L973 HydrophobicContact CD2-CD2 3.96Å; I965-L973 HydrophobicContact CB-CD2 3.96Å; I965-L973 HydrophobicContact CG2-CD2 3.57Å; N966-L973 HydrophobicContact CB-CD1 3.99Å; N966-L973 HydrophobicContact CB-CD2 4.35Å; R968-L973 HydrophobicContact CB-CB 3.99Å; R968-L973 HydrophobicContact CG-CB 4.41Å; R968-L973 HydrophobicContact CG-CD1 4.23Å; G971-L973 VanDerWaalsContact C-N 3.32Å; L973-L976 HydrophobicContact CD2-CD1 4.19Å; L973-T1056 HydrophobicContact CB-CG2 4.14Å; L973-T1056 HydrophobicContact CD2-CG2 4.18Å; L973-T1056 PolarHBondContact O-OG1 3.37Å | ||
| 974 | R | 96.5 | Very high | 97.1 | Very high | 100 Ų | 100 | 28.5 Ų | 28.5 | 38% | 0.377 | 13% | 0.132 | S | C | . | . | trans | -111.7 | 175.1 | -178.5 | -55.7 | -56.6 | -174.7 | -168.5 | -3.5 | 111.6 | E802 H803 G971 N972 | E802-R974 HydrophobicContact CG-CB 4.05Å; E802-R974 WeakPolarHBondContact OE1-CB 3.24Å; H803-R974 WeakPolarHBondContact CA-O 3.49Å; H803-R974 PolarHBondContact N-O 2.57Å; G971-R974 PolarHBondContact O-NH1 2.91Å; G971-R974 VanDerWaalsContact O-NH1 3.08Å; N972-R974 PolarHBondContact O-N 2.82Å | ||
| 975 | G | 96.2 | Very high | 97.1 | Very high | 24 Ų | 24 | 28.7 Ų | 28.7 | 25% | 0.247 | 13% | 0.133 | C | C | . | . | trans | 87.1 | -2.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | V977 | G975-V977 VanDerWaalsContact C-N 3.25Å; G975-V977 PolarHBondContact O-N 3.34Å | ||
| 976 | L | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | trans | -80.2 | 68.6 | 175.6 | -60 | -178.4 | 0 | 0 | 0 | 111.4 | H803 F920 L922 L973 W986 L1042 T1056 Y1058 I1059 | H803-L976 HydrophobicContact CB-CD2 3.68Å; H803-L976 HydrophobicContact CB-CG 4.41Å; F920-L976 HydrophobicContact CB-CD2 4.28Å; F920-L976 HydrophobicContact CD1-CD2 3.67Å; F920-L976 HydrophobicContact CE1-CD2 4.14Å; F920-L976 HydrophobicContact CG-CD2 3.95Å; L922-L976 HydrophobicContact CD2-CD1 4.29Å; L922-L976 HydrophobicContact CD2-CD2 4.14Å; L973-L976 HydrophobicContact CD2-CD1 4.19Å; L976-W986 HydrophobicContact CD1-CZ3 4.3Å; L976-W986 HydrophobicContact CD2-CH2 4.33Å; L976-W986 HydrophobicContact CD2-CZ3 3.84Å; L976-L1042 HydrophobicContact CD1-CD1 4.43Å; L976-T1056 HydrophobicContact CD1-CG2 3.93Å; L976-Y1058 WeakPolarHBondContact O-CA 3.33Å; L976-I1059 PolarHBondContact O-N 3.45Å | ||
| 977 | V | 97.7 | Very high | 97.1 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 19% | 0.194 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.5 | -174.7 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | R918 G975 I1059 R1061 | R918-V977 WeakPolarHBondContact CD-O 3.42Å; R918-V977 VanDerWaalsContact CZ-O 3.28Å; R918-V977 PolarHBondContact NE-O 3.1Å; R918-V977 PolarHBondContact NH1-O 3.03Å; G975-V977 VanDerWaalsContact C-N 3.25Å; G975-V977 PolarHBondContact O-N 3.34Å; V977-I1059 HydrophobicContact CG2-CB 4.36Å; V977-I1059 HydrophobicContact CG2-CD1 4.37Å; V977-R1061 HydrophobicContact CG1-CG 4.29Å |
| 978 | M | 96.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 172.2 | 176.7 | 64.6 | -159.4 | 75.4 | 0 | 0 | 111.6 | F920 E982 V984 W986 M1032 A1034 Y1058 I1059 I1060 R1061 | F920-M978 HydrophobicContact CD2-CE 4.2Å; F920-M978 HydrophobicContact CE2-CE 3.48Å; F920-M978 VanDerWaalsContact CE2-CE 3.48Å; F920-M978 HydrophobicContact CZ-CE 4.23Å; M978-E982 WeakPolarHBondContact CA-OE2 3.34Å; M978-E982 WeakPolarHBondContact CB-OE2 3.36Å; M978-V984 HydrophobicContact CB-CG2 4.25Å; M978-V984 HydrophobicContact CE-CG1 4.43Å; M978-V984 HydrophobicContact SD-CG2 3.81Å; M978-W986 HydrophobicContact CE-CH2 3.79Å; M978-W986 HydrophobicContact CE-CZ2 3.38Å; M978-M1032 HydrophobicContact CE-CE 3.89Å; M978-M1032 HydrophobicContact SD-CE 3.16Å; M978-M1032 WeakPolarHBondContact SD-CE 3.33Å; M978-A1034 HydrophobicContact CG-CB 3.87Å; M978-A1034 HydrophobicContact SD-CB 3.74Å; M978-Y1058 HydrophobicContact CE-CD2 3.91Å; M978-Y1058 HydrophobicContact SD-CD2 4.43Å; M978-I1059 PolarHBondContact N-O 3.34Å; M978-I1060 HydrophobicContact CG-CB 4.42Å; M978-I1060 HydrophobicContact CG-CG1 3.79Å; M978-I1060 HydrophobicContact SD-CG1 4.05Å; M978-R1061 PolarHBondContact O-N 3.15Å |
| 979 | K | 96.8 | Very high | 97.1 | Very high | 105 Ų | 105 | 26.3 Ų | 26.3 | 46% | 0.457 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151 | 176 | -58.4 | 176.5 | -176.2 | 170.4 | 0 | 110 | N981 E982 R1061 | K979-N981 PolarHBondContact O-N 2.97Å; K979-E982 HydrophobicContact CB-CG 3.97Å; K979-E982 PolarHBondContact N-OE2 3.38Å; K979-E982 WeakPolarHBondContact O-CB 3.4Å; K979-E982 PolarHBondContact O-N 3.48Å; K979-R1061 WeakPolarHBondContact CA-O 3.38Å |
| 980 | E | 95 | Very high | 97 | Very high | 32 Ų | 32 | 26.3 Ų | 26.3 | 15% | 0.15 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 133 | 171.5 | -171.1 | -173.2 | -154.5 | 0 | 0 | 111 | E982 A1034 P1037 I1060 R1061 T1063 | E980-E982 VanDerWaalsContact C-N 3.3Å; E980-E982 PolarHBondContact O-N 3.27Å; E980-A1034 CarbonylContact C-O 3.55Å; E980-P1037 HydrophobicContact CB-CG 4.25Å; E980-P1037 HydrophobicContact CG-CG 4.12Å; E980-I1060 HydrophobicContact CB-CG2 4.32Å; E980-R1061 PolarHBondContact N-O 3.27Å; E980-T1063 HydrophobicContact CB-CG2 4.24Å; E980-T1063 PolarHBondContact OE2-N 3.22Å; E980-T1063 PolarHBondContact OE2-OG1 3.37Å |
| 981 | N | 93.4 | Very high | 97 | Very high | 87 Ų | 87 | 26.3 Ų | 26.3 | 47% | 0.465 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 5.6 | -174.9 | -56.8 | -62 | 0 | 0 | 0 | 117.2 | K979 A1034 | K979-N981 PolarHBondContact O-N 2.97Å; N981-A1034 WeakPolarHBondContact CA-O 3.28Å; N981-A1034 PolarHBondContact N-O 3.28Å |
| 982 | E | 96.1 | Very high | 97 | Very high | 27 Ų | 27 | 26.3 Ų | 26.3 | 13% | 0.126 | 12% | 0.124 | C | C | . | . | trans | -66.8 | 139 | 168.7 | -75.7 | 177.7 | 166.5 | 0 | 0 | 110.6 | D917 R918 M978 K979 E980 V984 V1033 A1034 | D917-E982 HydrophobicContact CB-CB 3.82Å; D917-E982 HydrophobicContact CB-CG 3.81Å; D917-E982 WeakPolarHBondContact OD2-CA 3.45Å; R918-E982 WeakPolarHBondContact CD-OE2 3.5Å; R918-E982 IonicContact CZ-OE1 3.3Å; R918-E982 IonicContact CZ-OE2 3.68Å; R918-E982 IonicContact NE-OE1 3.29Å; R918-E982 IonicContact NE-OE2 3.91Å; R918-E982 PolarHBondContact NE-OE2 2.89Å; R918-E982 IonicContact NH2-OE1 3.55Å; R918-E982 PolarHBondContact NH2-OE1 2.71Å; R918-E982 IonicContact NH2-OE2 2.68Å; M978-E982 WeakPolarHBondContact CA-OE2 3.34Å; M978-E982 WeakPolarHBondContact CB-OE2 3.36Å; K979-E982 HydrophobicContact CB-CG 3.97Å; K979-E982 PolarHBondContact N-OE2 3.38Å; K979-E982 WeakPolarHBondContact O-CB 3.4Å; K979-E982 PolarHBondContact O-N 3.48Å; E980-E982 VanDerWaalsContact C-N 3.3Å; E980-E982 PolarHBondContact O-N 3.27Å; E982-V984 HydrophobicContact CB-CG2 4.31Å; E982-V1033 WeakPolarHBondContact O-CA 3.32Å; E982-A1034 PolarHBondContact O-N 3.34Å; E982-A1034 VanDerWaalsContact O-N 3.14Å | ||
| 983 | R | 95.9 | Very high | 96.9 | Very high | 120 Ų | 120 | 26.7 Ų | 26.7 | 45% | 0.453 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.2 | 166.5 | -64.8 | -172 | -62.7 | -73.6 | -5.9 | 108.8 | D915 I916 D917 R918 V1033 | D915-R983 PolarHBondContact O-NE 2.89Å; D915-R983 PolarHBondContact O-NH2 3.17Å; I916-R983 HydrophobicContact CB-CB 4.49Å; I916-R983 HydrophobicContact CG2-CB 4.49Å; D917-R983 PolarHBondContact N-O 2.9Å; D917-R983 PolarHBondContact OD2-N 3.28Å; R918-R983 PolarHBondContact N-O 2.97Å; R918-R983 VanDerWaalsContact N-O 3.17Å; R983-V1033 HydrophobicContact CG-CG2 4.41Å |
| 984 | V | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.6 | -173 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | R918 F920 M978 E982 W986 M1032 | R918-V984 HydrophobicContact CB-CG1 4.32Å; R918-V984 HydrophobicContact CB-CG2 4.25Å; R918-V984 WeakPolarHBondContact O-CA 3.4Å; F920-V984 HydrophobicContact CD2-CG1 3.5Å; F920-V984 HydrophobicContact CE2-CG1 3.64Å; M978-V984 HydrophobicContact CB-CG2 4.25Å; M978-V984 HydrophobicContact CE-CG1 4.43Å; M978-V984 HydrophobicContact SD-CG2 3.81Å; E982-V984 HydrophobicContact CB-CG2 4.31Å; V984-W986 HydrophobicContact CG1-CZ2 4.46Å; V984-M1032 HydrophobicContact CB-CB 4.48Å; V984-M1032 HydrophobicContact CB-CE 4.4Å; V984-M1032 PolarHBondContact N-O 2.85Å; V984-M1032 PolarHBondContact O-N 2.99Å |
| 985 | D | 97.2 | Very high | 96.7 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 3% | 0.027 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.1 | 168.4 | -76.3 | 11.8 | 0 | 0 | 0 | 109.6 | R913 I916 R918 E919 F920 Y987 T1029 V1030 | R913-D985 IonicContact CZ-OD2 3.48Å; R913-D985 IonicContact NH1-OD2 2.77Å; R913-D985 PolarHBondContact NH1-OD2 2.75Å; R913-D985 IonicContact NH2-OD2 3.17Å; R913-D985 PolarHBondContact NH2-OD2 3.35Å; I916-D985 HydrophobicContact CD1-CB 3.74Å; R918-D985 PolarHBondContact O-N 3.49Å; E919-D985 CarbonylContact C-O 3.59Å; E919-D985 VanDerWaalsContact CA-O 3.3Å; E919-D985 WeakPolarHBondContact CA-O 3.45Å; F920-D985 PolarHBondContact N-O 3.15Å; D985-Y987 HydrophobicContact CB-CE1 4.24Å; D985-T1029 HydrophobicContact CB-CG2 4.14Å; D985-V1030 WeakPolarHBondContact CA-O 3.41Å |
| 986 | W | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.3 | 173.2 | -56.7 | 85.5 | 0 | 0 | 0 | 109 | F920 L922 L976 M978 V984 L988 F1002 T1029 V1030 M1032 L1042 Y1058 | F920-W986 HydrophobicContact CB-CD2 4.18Å; F920-W986 HydrophobicContact CB-CE3 3.51Å; F920-W986 HydrophobicContact CB-CZ3 3.77Å; F920-W986 HydrophobicContact CD2-CD2 4.13Å; F920-W986 AromaticContact CD2-CE3 3.96Å; F920-W986 HydrophobicContact CD2-CE3 3.96Å; F920-W986 AromaticContact CD2-CH2 3.82Å; F920-W986 HydrophobicContact CD2-CH2 3.82Å; F920-W986 HydrophobicContact CD2-CZ2 4.01Å; F920-W986 AromaticContact CD2-CZ3 3.79Å; F920-W986 HydrophobicContact CD2-CZ3 3.79Å; F920-W986 HydrophobicContact CE2-CH2 4.34Å; F920-W986 HydrophobicContact CE2-CZ2 4.45Å; F920-W986 HydrophobicContact CG-CE3 4.08Å; F920-W986 HydrophobicContact CG-CH2 4.37Å; F920-W986 AromaticContact CG-CZ3 3.93Å; F920-W986 HydrophobicContact CG-CZ3 3.93Å; F920-W986 CarbonylContact O-C 3.54Å; F920-W986 WeakPolarHBondContact O-CA 3.44Å; L922-W986 HydrophobicContact CD1-CE3 3.6Å; L922-W986 HydrophobicContact CD1-CZ3 3.73Å; L922-W986 HydrophobicContact CG-CE3 4.07Å; L922-W986 HydrophobicContact CG-CZ3 4.28Å; L976-W986 HydrophobicContact CD1-CZ3 4.3Å; L976-W986 HydrophobicContact CD2-CH2 4.33Å; L976-W986 HydrophobicContact CD2-CZ3 3.84Å; M978-W986 HydrophobicContact CE-CH2 3.79Å; M978-W986 HydrophobicContact CE-CZ2 3.38Å; V984-W986 HydrophobicContact CG1-CZ2 4.46Å; W986-L988 HydrophobicContact CB-CD2 4.21Å; W986-F1002 AromaticContact CD2-CE1 3.77Å; W986-F1002 HydrophobicContact CD2-CE1 3.77Å; W986-F1002 HydrophobicContact CD2-CZ 4.08Å; W986-F1002 AromaticContact CE2-CE1 3.66Å; W986-F1002 AromaticContact CE3-CE1 4Å; W986-F1002 HydrophobicContact CE3-CE1 4Å; W986-F1002 HydrophobicContact CE3-CZ 4.29Å; W986-F1002 HydrophobicContact CG-CE1 4.3Å; W986-F1002 HydrophobicContact CG-CZ 4.25Å; W986-F1002 HydrophobicContact CH2-CE1 4.04Å; W986-F1002 HydrophobicContact CZ2-CD1 4.37Å; W986-F1002 AromaticContact CZ2-CE1 3.79Å; W986-F1002 HydrophobicContact CZ2-CE1 3.79Å; W986-F1002 HydrophobicContact CZ3-CE1 4.13Å; W986-T1029 WeakPolarHBondContact O-CA 3.3Å; W986-V1030 HydrophobicContact CB-CG2 3.69Å; W986-V1030 HydrophobicContact CG-CG2 4.36Å; W986-V1030 PolarHBondContact N-O 3.03Å; W986-V1030 PolarHBondContact O-N 2.85Å; W986-M1032 HydrophobicContact CZ2-CE 3.9Å; W986-L1042 HydrophobicContact CH2-CD1 4.18Å; W986-L1042 HydrophobicContact CZ3-CD1 4.06Å; W986-Y1058 HydrophobicContact CH2-CG 4.44Å |
| 987 | Y | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 103.3 | 172.4 | -48.9 | -48.8 | 0 | 0 | 0 | 108.1 | T874 V896 R913 E919 F920 A921 L922 D985 L989 T1029 | T874-Y987 HydrophobicContact CG2-CG 4.49Å; T874-Y987 WeakPolarHBondContact OG1-CD1 3.35Å; V896-Y987 HydrophobicContact CG1-CE1 4.32Å; V896-Y987 HydrophobicContact CG2-CD2 3.92Å; V896-Y987 HydrophobicContact CG2-CE1 4.3Å; V896-Y987 HydrophobicContact CG2-CE2 3.63Å; V896-Y987 HydrophobicContact CG2-CG 4.36Å; R913-Y987 WeakPolarHBondContact CD-OH 3.39Å; R913-Y987 PolarHBondContact NH1-OH 3.06Å; R913-Y987 VanDerWaalsContact NH1-OH 3.07Å; E919-Y987 HydrophobicContact CB-CE2 3.69Å; E919-Y987 HydrophobicContact CG-CE2 4.15Å; E919-Y987 WeakPolarHBondContact OE2-CE2 3.33Å; E919-Y987 VanDerWaalsContact OE2-CZ 3.32Å; E919-Y987 PolarHBondContact OE2-OH 3.35Å; F920-Y987 PolarHBondContact O-N 2.85Å; A921-Y987 WeakPolarHBondContact CA-O 3.45Å; A921-Y987 HydrophobicContact CB-CD2 4.29Å; L922-Y987 PolarHBondContact N-O 2.88Å; D985-Y987 HydrophobicContact CB-CE1 4.24Å; Y987-L989 WeakPolarHBondContact O-CD1 3.29Å; Y987-T1029 HydrophobicContact CD1-CG2 3.92Å; Y987-T1029 HydrophobicContact CE1-CG2 3.91Å |
| 988 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130 | 179.8 | -56.3 | -175 | 0 | 0 | 0 | 109.4 | L922 W986 F1002 F1020 L1022 F1027 Q1028 V1030 | L922-L988 HydrophobicContact CB-CD2 4.15Å; L922-L988 HydrophobicContact CD1-CD2 4.15Å; L922-L988 CarbonylContact O-C 3.56Å; L922-L988 WeakPolarHBondContact O-CA 3.16Å; W986-L988 HydrophobicContact CB-CD2 4.21Å; L988-F1002 HydrophobicContact CD2-CZ 4.38Å; L988-F1020 HydrophobicContact CD1-CB 4Å; L988-F1020 HydrophobicContact CD1-CD1 4.05Å; L988-F1020 HydrophobicContact CD1-CG 4.18Å; L988-L1022 HydrophobicContact CB-CD1 3.98Å; L988-L1022 HydrophobicContact CB-CD2 3.83Å; L988-L1022 HydrophobicContact CB-CG 4.45Å; L988-F1027 WeakPolarHBondContact O-CA 3.35Å; L988-Q1028 PolarHBondContact N-O 2.95Å; L988-Q1028 PolarHBondContact O-N 2.98Å; L988-V1030 HydrophobicContact CD1-CG1 4.15Å; L988-V1030 HydrophobicContact CD1-CG2 3.97Å; L988-V1030 HydrophobicContact CG-CG2 4.21Å |
| 989 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 128.6 | 179.4 | -53.9 | 99.2 | 0 | 0 | 0 | 109.7 | T874 A876 L892 P894 A921 L922 L923 F924 Y987 F1027 | T874-L989 HydrophobicContact CG2-CD2 4.26Å; T874-L989 HydrophobicContact CG2-CG 4.42Å; A876-L989 HydrophobicContact CB-CD2 4.05Å; L892-L989 HydrophobicContact CD2-CD2 4.42Å; P894-L989 HydrophobicContact CB-CD1 4.42Å; P894-L989 HydrophobicContact CB-CD2 4.29Å; A921-L989 HydrophobicContact CB-CD1 4.45Å; L922-L989 WeakPolarHBondContact O-CD1 3.47Å; L922-L989 PolarHBondContact O-N 3.47Å; L923-L989 WeakPolarHBondContact CA-O 3.34Å; L923-L989 HydrophobicContact CB-CB 4.45Å; L923-L989 HydrophobicContact CD1-CB 3.83Å; F924-L989 PolarHBondContact N-O 3.22Å; Y987-L989 WeakPolarHBondContact O-CD1 3.29Å; L989-F1027 HydrophobicContact CB-CD1 3.99Å; L989-F1027 HydrophobicContact CB-CE1 4.37Å; L989-F1027 HydrophobicContact CD2-CD1 3.9Å; L989-F1027 HydrophobicContact CD2-CE1 4.24Å; L989-F1027 HydrophobicContact CG-CD1 4.06Å |
| 990 | G | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1023 G1025 T1026 | G990-F1023 CarbonylContact C-O 3.6Å; G990-G1025 PolarHBondContact O-N 3.44Å; G990-T1026 PolarHBondContact N-O 2.68Å; G990-T1026 PolarHBondContact O-N 3.06Å |
| 991 | M | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -151.4 | 164.4 | 178.4 | -70.4 | -67.9 | -70.2 | 0 | 0 | 107.7 | Y883 L887 L892 L923 L925 D996 F1027 | Y883-M991 HydrophobicContact CE2-CE 3.8Å; Y883-M991 WeakPolarHBondContact OH-CE 3.36Å; L887-M991 HydrophobicContact CD1-CB 4.45Å; L887-M991 HydrophobicContact CD1-CE 4.39Å; L887-M991 HydrophobicContact CD2-CB 4.38Å; L887-M991 HydrophobicContact CD2-CE 4.23Å; L892-M991 HydrophobicContact CD1-CB 4.34Å; L892-M991 HydrophobicContact CD1-CE 4.25Å; L892-M991 HydrophobicContact CD1-CG 3.62Å; L923-M991 HydrophobicContact CD1-CB 4.27Å; L923-M991 HydrophobicContact CD1-CG 4.24Å; L925-M991 HydrophobicContact CD1-CB 4.47Å; L925-M991 WeakPolarHBondContact CD1-O 3.44Å; M991-D996 WeakPolarHBondContact O-CB 3.33Å; M991-F1027 HydrophobicContact CG-CE1 4.27Å; M991-F1027 HydrophobicContact SD-CE1 3.94Å; M991-F1027 HydrophobicContact SD-CZ 3.82Å | ||
| 992 | G | 95.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.056 | C | C | . | . | B | Isolated β-bridge | trans | 121.6 | -141.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T700 T701 D996 | T700-G992 WeakPolarHBondContact CA-O 3.49Å; T701-G992 PolarHBondContact N-O 2.71Å; G992-D996 VanDerWaalsContact CA-OD2 3.25Å; G992-D996 WeakPolarHBondContact CA-OD2 3.2Å |
| 993 | N | 96.1 | Very high | 97.2 | Very high | 21 Ų | 21 | 11.4 Ų | 11.4 | 11% | 0.112 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -106.6 | -166.4 | -169.2 | -150.5 | 9.5 | 0 | 0 | 0 | 113.7 | T700 T701 D702 I995 D996 P1024 | T700-N993 VanDerWaalsContact CG2-C 3.49Å; T701-N993 WeakPolarHBondContact OG1-CA 3.44Å; T701-N993 WeakPolarHBondContact OG1-CB 3.49Å; T701-N993 PolarHBondContact OG1-OD1 3.24Å; D702-N993 VanDerWaalsContact CB-OD1 3.32Å; D702-N993 WeakPolarHBondContact CB-OD1 3.46Å; D702-N993 PolarHBondContact N-OD1 2.98Å; D702-N993 PolarHBondContact OD1-ND2 3.26Å; D702-N993 PolarHBondContact OD2-ND2 3.26Å; D702-N993 PolarHBondContact OD2-OD1 3.44Å; N993-I995 VanDerWaalsContact C-N 3.25Å; N993-I995 PolarHBondContact O-N 2.93Å; N993-D996 PolarHBondContact N-OD2 3.34Å; N993-D996 WeakPolarHBondContact O-CB 3.18Å; N993-D996 PolarHBondContact O-N 3.12Å; N993-P1024 WeakPolarHBondContact O-CG 3.43Å |
| 994 | E | 94.7 | Very high | 97.2 | Very high | 44 Ų | 44 | 5.8 Ų | 5.8 | 21% | 0.206 | 3% | 0.029 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -33.2 | 178.1 | -65.2 | 171.4 | -159.4 | 0 | 0 | 112 | A652 I654 T700 H703 D996 | A652-E994 VanDerWaalsContact CB-OE2 3.3Å; A652-E994 WeakPolarHBondContact CB-OE2 3.42Å; I654-E994 WeakPolarHBondContact CD1-O 3.28Å; T700-E994 HydrophobicContact CG2-CB 4.3Å; T700-E994 HydrophobicContact CG2-CG 3.5Å; H703-E994 IonicContact CD2-OE1 2.77Å; H703-E994 PolarHBondContact CD2-OE1 2.93Å; H703-E994 IonicContact NE2-OE1 2.6Å; H703-E994 PolarHBondContact NE2-OE1 3.05Å; E994-D996 VanDerWaalsContact C-N 3.27Å; E994-D996 PolarHBondContact O-N 3.24Å |
| 995 | I | 95.4 | Very high | 97.1 | Very high | 43 Ų | 43 | 6 Ų | 6 | 22% | 0.221 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18.2 | 174 | 68 | 177.3 | 0 | 0 | 0 | 113 | E305 V926 N993 M997 H1049 | E305-I995 VanDerWaalsContact OE2-CG2 3.3Å; E305-I995 WeakPolarHBondContact OE2-CG2 3.15Å; V926-I995 HydrophobicContact CB-CD1 3.94Å; V926-I995 HydrophobicContact CB-CG1 4.38Å; V926-I995 HydrophobicContact CG1-CD1 3.78Å; V926-I995 HydrophobicContact CG2-CD1 4.02Å; V926-I995 HydrophobicContact CG2-CG1 4.19Å; N993-I995 VanDerWaalsContact C-N 3.25Å; N993-I995 PolarHBondContact O-N 2.93Å; I995-M997 PolarHBondContact O-N 3.47Å; I995-H1049 PolarHBondContact O-CE1 3.39Å; I995-H1049 PolarHBondContact O-NE2 3.21Å |
| 996 | D | 97.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.005 | 3% | 0.032 | C | C | . | . | trans | -79.8 | 49.8 | -175.7 | -74.2 | -79.6 | 0 | 0 | 0 | 113.5 | L925 V926 M991 G992 N993 E994 H998 P1024 | L925-D996 WeakPolarHBondContact CA-OD1 3.23Å; V926-D996 WeakPolarHBondContact CG2-OD1 3.34Å; V926-D996 PolarHBondContact N-OD1 3.08Å; M991-D996 WeakPolarHBondContact O-CB 3.33Å; G992-D996 VanDerWaalsContact CA-OD2 3.25Å; G992-D996 WeakPolarHBondContact CA-OD2 3.2Å; N993-D996 PolarHBondContact N-OD2 3.34Å; N993-D996 WeakPolarHBondContact O-CB 3.18Å; N993-D996 PolarHBondContact O-N 3.12Å; E994-D996 VanDerWaalsContact C-N 3.27Å; E994-D996 PolarHBondContact O-N 3.24Å; D996-H998 IonicContact OD1-CE1 2.71Å; D996-H998 PolarHBondContact OD1-CE1 2.89Å; D996-H998 IonicContact OD1-NE2 3.88Å; D996-H998 PolarHBondContact OD1-NE2 3.49Å; D996-P1024 HydrophobicContact CB-CG 4.27Å; D996-P1024 WeakPolarHBondContact O-CD 3.39Å | ||
| 997 | M | 96.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 6.3 Ų | 6.3 | 2% | 0.015 | 3% | 0.032 | C | C | . | . | trans | -93 | 123.3 | 160.3 | 80.2 | -170.6 | 84.3 | 0 | 0 | 109.9 | E305 I308 F331 I654 I995 L1022 F1023 V1046 H1049 | E305-M997 HydrophobicContact CB-CE 4.43Å; E305-M997 WeakPolarHBondContact O-CE 3.43Å; I308-M997 HydrophobicContact CD1-CE 3.57Å; I308-M997 HydrophobicContact CD1-SD 4.12Å; I308-M997 HydrophobicContact CG1-CE 3.8Å; I308-M997 HydrophobicContact CG1-SD 3.68Å; F331-M997 HydrophobicContact CD1-SD 4.26Å; I654-M997 HydrophobicContact CD1-CB 4.18Å; I654-M997 HydrophobicContact CD1-CE 3.46Å; I654-M997 VanDerWaalsContact CD1-CE 3.46Å; I654-M997 HydrophobicContact CD1-SD 4.43Å; I995-M997 PolarHBondContact O-N 3.47Å; M997-L1022 WeakPolarHBondContact CA-O 3.46Å; M997-F1023 HydrophobicContact CB-CD1 3.94Å; M997-F1023 HydrophobicContact CB-CE1 3.92Å; M997-V1046 HydrophobicContact CG-CG2 4.07Å; M997-V1046 WeakPolarHBondContact O-CG2 3.38Å; M997-H1049 PolarHBondContact O-CE1 3.23Å; M997-H1049 PolarHBondContact O-ND1 3.05Å | ||
| 998 | H | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 123 | -175.8 | -48.8 | -57.7 | 0 | 0 | 0 | 111.2 | F924 D996 L1022 H1049 M1054 | F924-H998 HydrophobicContact CB-CB 3.8Å; F924-H998 WeakPolarHBondContact CB-CD2 3.18Å; F924-H998 HydrophobicContact CD1-CB 4.16Å; F924-H998 HydrophobicContact CG-CB 4.19Å; F924-H998 PolarHBondContact O-NE2 3.17Å; D996-H998 IonicContact OD1-CE1 2.71Å; D996-H998 PolarHBondContact OD1-CE1 2.89Å; D996-H998 IonicContact OD1-NE2 3.88Å; D996-H998 PolarHBondContact OD1-NE2 3.49Å; H998-L1022 HydrophobicContact CB-CB 4.31Å; H998-L1022 PolarHBondContact N-O 3.32Å; H998-L1022 WeakPolarHBondContact O-CB 3.31Å; H998-L1022 PolarHBondContact O-N 2.8Å; H998-H1049 AromaticContact CE1-CE1 3.64Å; H998-H1049 AromaticContact CE1-ND1 3.85Å; H998-H1049 AromaticContact ND1-CE1 3.36Å; H998-H1049 PolarHBondContact ND1-CE1 2.66Å; H998-H1049 AromaticContact ND1-ND1 3.24Å; H998-H1049 PolarHBondContact ND1-ND1 2.72Å; H998-M1054 PolarHBondContact ND1-SD 2.83Å |
| 999 | T | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.006 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 94.8 | 179 | 52.9 | 0 | 0 | 0 | 0 | 109.4 | F331 P332 H1001 D1021 C1044 H1045 | F331-T999 HydrophobicContact CB-CG2 3.95Å; P332-T999 WeakPolarHBondContact O-CB 3.42Å; P332-T999 WeakPolarHBondContact O-CG2 3.09Å; P332-T999 PolarHBondContact O-OG1 3.06Å; T999-H1001 PolarHBondContact O-N 3.24Å; T999-D1021 HydrophobicContact CG2-CB 4.47Å; T999-D1021 WeakPolarHBondContact CG2-OD1 3.15Å; T999-C1044 CarbonylContact O-C 3.56Å; T999-C1044 WeakPolarHBondContact O-CA 3.06Å; T999-H1045 PolarHBondContact O-N 3.1Å; T999-H1045 WeakPolarHBondContact OG1-CA 3.33Å; T999-H1045 VanDerWaalsContact OG1-CB 3.26Å; T999-H1045 WeakPolarHBondContact OG1-CB 3.27Å; T999-H1045 PolarHBondContact OG1-N 3.27Å |
| 1000 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 107.6 | -167.8 | -175.2 | 0 | 0 | 0 | 0 | 110.8 | F924 F1002 V1019 F1020 L1022 | F924-V1000 HydrophobicContact CD1-CG2 4.08Å; F924-V1000 HydrophobicContact CD2-CG2 3.73Å; F924-V1000 HydrophobicContact CE1-CG1 4.2Å; F924-V1000 HydrophobicContact CE1-CG2 3.83Å; F924-V1000 HydrophobicContact CE2-CB 4.28Å; F924-V1000 HydrophobicContact CE2-CG1 3.78Å; F924-V1000 HydrophobicContact CE2-CG2 3.45Å; F924-V1000 VanDerWaalsContact CE2-CG2 3.45Å; F924-V1000 HydrophobicContact CG-CG2 4.07Å; F924-V1000 HydrophobicContact CZ-CB 4.06Å; F924-V1000 HydrophobicContact CZ-CG1 3.42Å; F924-V1000 VanDerWaalsContact CZ-CG1 3.42Å; F924-V1000 HydrophobicContact CZ-CG2 3.52Å; V1000-F1002 HydrophobicContact CG1-CD2 4.21Å; V1000-F1002 HydrophobicContact CG1-CE2 3.54Å; V1000-F1002 HydrophobicContact CG1-CZ 4.08Å; V1000-V1019 CarbonylContact O-C 3.53Å; V1000-V1019 VanDerWaalsContact O-CA 3.25Å; V1000-V1019 WeakPolarHBondContact O-CA 3.5Å; V1000-F1020 PolarHBondContact N-O 2.96Å; V1000-F1020 PolarHBondContact O-N 2.7Å; V1000-L1022 HydrophobicContact CG2-CD1 3.46Å; V1000-L1022 VanDerWaalsContact CG2-CD1 3.46Å; V1000-L1022 HydrophobicContact CG2-CG 4.06Å |
| 1001 | H | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.7 | 178 | -175.1 | 40.8 | 0 | 0 | 0 | 112.6 | H128 H130 T999 H1003 D1018 V1019 L1042 H1043 | H128-H1001 AromaticContact NE2-NE2 3.58Å; H130-H1001 AromaticContact CE1-CD2 3.64Å; H130-H1001 AromaticContact CE1-CE1 3.33Å; H130-H1001 PolarHBondContact CE1-CE1 3.27Å; H130-H1001 AromaticContact CE1-CG 3.71Å; H130-H1001 AromaticContact CE1-ND1 3.51Å; H130-H1001 AromaticContact CE1-NE2 3.43Å; H130-H1001 PolarHBondContact CE1-NE2 3.3Å; H130-H1001 AromaticContact ND1-CE1 3.32Å; H130-H1001 PolarHBondContact ND1-CE1 2.77Å; H130-H1001 VanDerWaalsContact ND1-CE1 3.32Å; H130-H1001 AromaticContact ND1-ND1 3.62Å; H130-H1001 AromaticContact ND1-NE2 3.83Å; T999-H1001 PolarHBondContact O-N 3.24Å; H1001-H1003 AromaticContact CD2-CD2 3.3Å; H1001-H1003 PolarHBondContact CD2-CD2 3.01Å; H1001-H1003 AromaticContact CD2-NE2 3.56Å; H1001-H1003 AromaticContact NE2-CD2 3.38Å; H1001-H1003 PolarHBondContact NE2-CD2 3.34Å; H1001-H1003 AromaticContact NE2-NE2 3.82Å; H1001-D1018 WeakPolarHBondContact CA-O 3.24Å; H1001-D1018 IonicContact CE1-OD2 3.53Å; H1001-D1018 PolarHBondContact ND1-O 2.98Å; H1001-V1019 HydrophobicContact CB-CG2 3.98Å; H1001-L1042 WeakPolarHBondContact O-CA 3.27Å; H1001-H1043 AromaticContact CD2-NE2 3.55Å; H1001-H1043 PolarHBondContact N-O 3.06Å; H1001-H1043 PolarHBondContact O-N 3.43Å |
| 1002 | F | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.5 | 171.7 | -65.9 | -104.2 | 0 | 0 | 0 | 109.8 | W986 L988 V1000 L1007 D1018 L1042 Y1058 | W986-F1002 AromaticContact CD2-CE1 3.77Å; W986-F1002 HydrophobicContact CD2-CE1 3.77Å; W986-F1002 HydrophobicContact CD2-CZ 4.08Å; W986-F1002 AromaticContact CE2-CE1 3.66Å; W986-F1002 AromaticContact CE3-CE1 4Å; W986-F1002 HydrophobicContact CE3-CE1 4Å; W986-F1002 HydrophobicContact CE3-CZ 4.29Å; W986-F1002 HydrophobicContact CG-CE1 4.3Å; W986-F1002 HydrophobicContact CG-CZ 4.25Å; W986-F1002 HydrophobicContact CH2-CE1 4.04Å; W986-F1002 HydrophobicContact CZ2-CD1 4.37Å; W986-F1002 AromaticContact CZ2-CE1 3.79Å; W986-F1002 HydrophobicContact CZ2-CE1 3.79Å; W986-F1002 HydrophobicContact CZ3-CE1 4.13Å; L988-F1002 HydrophobicContact CD2-CZ 4.38Å; V1000-F1002 HydrophobicContact CG1-CD2 4.21Å; V1000-F1002 HydrophobicContact CG1-CE2 3.54Å; V1000-F1002 HydrophobicContact CG1-CZ 4.08Å; F1002-L1007 HydrophobicContact CD2-CD1 3.37Å; F1002-L1007 HydrophobicContact CD2-CD2 4.28Å; F1002-L1007 HydrophobicContact CD2-CG 4.13Å; F1002-L1007 HydrophobicContact CE2-CD1 3.37Å; F1002-L1007 HydrophobicContact CE2-CD2 4.46Å; F1002-L1007 HydrophobicContact CE2-CG 4.43Å; F1002-L1007 HydrophobicContact CG-CD1 4.21Å; F1002-L1007 HydrophobicContact CG-CD2 4.34Å; F1002-L1007 HydrophobicContact CZ-CD1 4.22Å; F1002-D1018 PolarHBondContact N-O 3.2Å; F1002-D1018 VanDerWaalsContact N-O 3.11Å; F1002-L1042 HydrophobicContact CD1-CD1 3.74Å; F1002-L1042 HydrophobicContact CD1-CG 4.24Å; F1002-L1042 HydrophobicContact CE1-CD1 3.31Å; F1002-L1042 HydrophobicContact CE1-CG 4.12Å; F1002-L1042 HydrophobicContact CZ-CD1 3.92Å; F1002-L1042 HydrophobicContact CZ-CG 4.5Å; F1002-Y1058 HydrophobicContact CD1-CE1 4.24Å |
| 1003 | H | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 145 | 173.3 | -76.2 | -138.2 | 0 | 0 | 0 | 110.4 | H128 E139 H190 H1001 E1005 W1040 L1041 H1043 Y1058 | H128-H1003 AromaticContact CE1-CE1 3.56Å; H128-H1003 AromaticContact CE1-ND1 3.53Å; H128-H1003 AromaticContact NE2-CE1 3.81Å; E139-H1003 IonicContact OE1-CE1 3.08Å; E139-H1003 IonicContact OE1-CG 3.68Å; E139-H1003 IonicContact OE1-ND1 2.78Å; E139-H1003 PolarHBondContact OE1-ND1 2.86Å; H190-H1003 AromaticContact CD2-CE1 3.94Å; H190-H1003 AromaticContact NE2-CE1 3.51Å; H190-H1003 AromaticContact NE2-NE2 3.58Å; H1001-H1003 AromaticContact CD2-CD2 3.3Å; H1001-H1003 PolarHBondContact CD2-CD2 3.01Å; H1001-H1003 AromaticContact CD2-NE2 3.56Å; H1001-H1003 AromaticContact NE2-CD2 3.38Å; H1001-H1003 PolarHBondContact NE2-CD2 3.34Å; H1001-H1003 AromaticContact NE2-NE2 3.82Å; H1003-E1005 PolarHBondContact O-N 3.08Å; H1003-W1040 HydrophobicContact CB-CB 4.23Å; H1003-W1040 HydrophobicContact CB-CE3 4.4Å; H1003-L1041 HydrophobicContact CB-CB 4.39Å; H1003-L1041 WeakPolarHBondContact CB-O 3.49Å; H1003-L1041 PolarHBondContact N-O 3.06Å; H1003-H1043 AromaticContact CD2-NE2 3.97Å; H1003-H1043 AromaticContact NE2-CD2 3.61Å; H1003-H1043 AromaticContact NE2-NE2 3.32Å; H1003-H1043 PolarHBondContact NE2-NE2 2.55Å; H1003-Y1058 PolarHBondContact O-OH 3.47Å |
| 1004 | A | 94.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.017 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | -9.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | Y134 F173 W1040 | Y134-A1004 HydrophobicContact CE2-CB 3.88Å; Y134-A1004 WeakPolarHBondContact OH-CA 3.39Å; Y134-A1004 PolarHBondContact OH-N 3Å; F173-A1004 WeakPolarHBondContact CZ-O 3.36Å; A1004-W1040 HydrophobicContact CB-CD2 3.35Å; A1004-W1040 HydrophobicContact CB-CE3 3.29Å; A1004-W1040 HydrophobicContact CB-CG 4.04Å; A1004-W1040 HydrophobicContact CB-CH2 3.61Å; A1004-W1040 HydrophobicContact CB-CZ2 3.72Å; A1004-W1040 HydrophobicContact CB-CZ3 3.4Å; A1004-W1040 VanDerWaalsContact CB-CZ3 3.4Å |
| 1005 | E | 94.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 16 Ų | 16 | 3% | 0.028 | 8% | 0.076 | C | C | . | . | trans | -126 | 151.7 | 178.1 | -65.7 | -66.5 | 174.9 | 0 | 0 | 110.3 | H1003 M1032 A1035 N1036 Y1058 I1060 | H1003-E1005 PolarHBondContact O-N 3.08Å; E1005-M1032 HydrophobicContact CB-CG 4.37Å; E1005-M1032 HydrophobicContact CB-SD 3.8Å; E1005-M1032 HydrophobicContact CG-SD 4.04Å; E1005-A1035 WeakPolarHBondContact OE1-CA 3.43Å; E1005-A1035 PolarHBondContact OE1-N 2.84Å; E1005-N1036 WeakPolarHBondContact OE1-CB 3.47Å; E1005-N1036 PolarHBondContact OE1-N 3.21Å; E1005-Y1058 VanDerWaalsContact CG-OH 3.28Å; E1005-Y1058 WeakPolarHBondContact CG-OH 3.47Å; E1005-I1060 HydrophobicContact CG-CD1 4Å; E1005-I1060 WeakPolarHBondContact OE1-CD1 3.28Å | ||
| 1006 | T | 94.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 15.5 Ų | 15.5 | 5% | 0.049 | 7% | 0.072 | C | C | . | . | trans | -109.9 | 152.4 | 166.2 | 62.8 | 0 | 0 | 0 | 0 | 109 | R172 F173 R1016 A1017 D1018 | R172-T1006 PolarHBondContact O-OG1 3.18Å; F173-T1006 HydrophobicContact CD1-CG2 3.59Å; F173-T1006 HydrophobicContact CE1-CG2 4.01Å; F173-T1006 HydrophobicContact CG-CG2 4.42Å; T1006-R1016 PolarHBondContact OG1-NH1 3.29Å; T1006-A1017 CarbonylContact C-O 3.55Å; T1006-D1018 HydrophobicContact CG2-CB 4.27Å | ||
| 1007 | L | 95.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 155.5 | -178.4 | -52.3 | 173.9 | 0 | 0 | 0 | 110.4 | F1002 R1016 A1017 V1030 M1032 | F1002-L1007 HydrophobicContact CD2-CD1 3.37Å; F1002-L1007 HydrophobicContact CD2-CD2 4.28Å; F1002-L1007 HydrophobicContact CD2-CG 4.13Å; F1002-L1007 HydrophobicContact CE2-CD1 3.37Å; F1002-L1007 HydrophobicContact CE2-CD2 4.46Å; F1002-L1007 HydrophobicContact CE2-CG 4.43Å; F1002-L1007 HydrophobicContact CG-CD1 4.21Å; F1002-L1007 HydrophobicContact CG-CD2 4.34Å; F1002-L1007 HydrophobicContact CZ-CD1 4.22Å; L1007-R1016 WeakPolarHBondContact O-CA 3.08Å; L1007-A1017 WeakPolarHBondContact CA-O 3.29Å; L1007-A1017 PolarHBondContact N-O 2.84Å; L1007-A1017 PolarHBondContact O-N 2.82Å; L1007-A1017 VanDerWaalsContact O-N 3.1Å; L1007-V1030 HydrophobicContact CB-CB 4.31Å; L1007-V1030 HydrophobicContact CD1-CB 4.28Å; L1007-V1030 HydrophobicContact CD1-CG2 3.75Å; L1007-V1030 HydrophobicContact CD2-CG2 4.37Å; L1007-V1030 HydrophobicContact CG-CG2 4.43Å; L1007-M1032 HydrophobicContact CD2-CB 3.85Å; L1007-M1032 HydrophobicContact CD2-CG 4.01Å; L1007-M1032 HydrophobicContact CD2-SD 4Å |
| 1008 | I | 96.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 16 Ų | 16 | 13% | 0.133 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.7 | 166.1 | -67.3 | -60.3 | 0 | 0 | 0 | 108.5 | T176 V1014 H1015 R1016 V1030 E1031 | T176-I1008 HydrophobicContact CG2-CD1 3.68Å; I1008-V1014 HydrophobicContact CD1-CG1 4.42Å; I1008-V1014 HydrophobicContact CG2-CG1 3.39Å; I1008-H1015 WeakPolarHBondContact CA-O 3.49Å; I1008-R1016 HydrophobicContact CD1-CB 4.16Å; I1008-V1030 CarbonylContact O-C 3.57Å; I1008-V1030 WeakPolarHBondContact O-CA 3.26Å; I1008-E1031 HydrophobicContact CB-CB 4.27Å; I1008-E1031 PolarHBondContact N-O 3.39Å; I1008-E1031 PolarHBondContact O-N 3.26Å |
| 1009 | Y | 94.1 | Very high | 94.7 | Very high | 16 Ų | 16 | 16.6 Ų | 16.6 | 6% | 0.063 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 157 | 169.9 | 68.8 | -79.4 | 0 | 0 | 0 | 109.9 | R321 M1011 H1015 A1017 F1020 | R321-Y1009 PolarHBondContact NE-OH 3.18Å; Y1009-M1011 HydrophobicContact CD2-CG 4.12Å; Y1009-M1011 HydrophobicContact CE2-CE 4.13Å; Y1009-M1011 HydrophobicContact CE2-CG 4.01Å; Y1009-M1011 HydrophobicContact CE2-SD 4.1Å; Y1009-H1015 HydrophobicContact CD1-CB 4.11Å; Y1009-H1015 HydrophobicContact CD2-CB 4.38Å; Y1009-H1015 HydrophobicContact CE1-CB 3.52Å; Y1009-H1015 HydrophobicContact CE2-CB 3.85Å; Y1009-H1015 PolarHBondContact N-O 2.77Å; Y1009-H1015 PolarHBondContact O-N 2.54Å; Y1009-A1017 HydrophobicContact CD1-CB 4.11Å; Y1009-A1017 HydrophobicContact CE1-CB 3.68Å; Y1009-F1020 AromaticContact CD2-CE2 3.98Å; Y1009-F1020 HydrophobicContact CD2-CE2 3.98Å; Y1009-F1020 HydrophobicContact CE2-CE2 4.43Å; Y1009-F1020 HydrophobicContact CG-CD2 4.37Å; Y1009-F1020 HydrophobicContact CG-CE2 4.1Å |
| 1010 | R | 92.1 | Very high | 94.7 | Very high | 71 Ų | 71 | 17.9 Ų | 17.9 | 27% | 0.268 | 9% | 0.085 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.6 | -175.8 | -64.2 | 174.8 | -178.4 | -85.9 | -9.9 | 110.3 | S868 H1013 E1031 | S868-R1010 WeakPolarHBondContact O-CB 3.41Å; R1010-H1013 WeakPolarHBondContact CA-O 3.26Å; R1010-E1031 IonicContact CZ-OE1 3.37Å; R1010-E1031 IonicContact NE-OE1 2.65Å; R1010-E1031 PolarHBondContact NE-OE1 2.87Å; R1010-E1031 VanDerWaalsContact NE-OE1 3.15Å; R1010-E1031 IonicContact NE-OE2 3.67Å; R1010-E1031 IonicContact NH2-OE1 4Å; R1010-E1031 IonicContact NH2-OE2 3.42Å; R1010-E1031 PolarHBondContact NH2-OE2 2.6Å |
| 1011 | M | 86.2 | Confident | 94.7 | Very high | 33 Ų | 33 | 19.6 Ų | 19.6 | 16% | 0.163 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -111.7 | -119.1 | 165.1 | -61.7 | -168.1 | -59.8 | 0 | 0 | 107.3 | R321 T669 S868 Y1009 H1013 | R321-M1011 HydrophobicContact CB-CE 4.34Å; R321-M1011 VanDerWaalsContact CD-CE 3.41Å; T669-M1011 WeakPolarHBondContact CG2-O 3.42Å; S868-M1011 VanDerWaalsContact CB-O 3.3Å; S868-M1011 WeakPolarHBondContact CB-O 3.24Å; Y1009-M1011 HydrophobicContact CD2-CG 4.12Å; Y1009-M1011 HydrophobicContact CE2-CE 4.13Å; Y1009-M1011 HydrophobicContact CE2-CG 4.01Å; Y1009-M1011 HydrophobicContact CE2-SD 4.1Å; M1011-H1013 PolarHBondContact N-O 2.61Å |
| 1012 | D | 85.5 | Confident | 94.6 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 8% | 0.08 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -72 | -34.3 | 166.6 | 63.5 | -27.8 | 0 | 0 | 0 | 111.9 | H323 S531 Q667 S868 | H323-D1012 IonicContact CE1-OD2 2.66Å; H323-D1012 PolarHBondContact CE1-OD2 2.65Å; H323-D1012 IonicContact NE2-OD1 2.78Å; H323-D1012 PolarHBondContact NE2-OD1 3.38Å; H323-D1012 IonicContact NE2-OD2 3.14Å; H323-D1012 PolarHBondContact NE2-OD2 2.87Å; S531-D1012 WeakPolarHBondContact CB-OD2 3.32Å; Q667-D1012 HydrophobicContact CB-CB 4.17Å; Q667-D1012 VanDerWaalsContact O-CA 3.28Å; Q667-D1012 WeakPolarHBondContact O-CA 3.45Å; Q667-D1012 VanDerWaalsContact O-CB 3.32Å; Q667-D1012 WeakPolarHBondContact O-CB 3.4Å; Q667-D1012 PolarHBondContact O-N 2.76Å; S868-D1012 PolarHBondContact OG-O 3.05Å |
| 1013 | H | 90.9 | Very high | 94.6 | Very high | 72 Ų | 72 | 20 Ų | 20 | 33% | 0.333 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -123.4 | -177.6 | 175.2 | -55 | -66.5 | 0 | 0 | 0 | 112.9 | D178 S531 R1010 M1011 | D178-H1013 HydrophobicContact CB-CB 3.57Å; S531-H1013 PolarHBondContact OG-NE2 3.27Å; R1010-H1013 WeakPolarHBondContact CA-O 3.26Å; M1011-H1013 PolarHBondContact N-O 2.61Å |
| 1014 | V | 93.8 | Very high | 94.5 | Very high | 34 Ų | 34 | 20 Ų | 20 | 21% | 0.206 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 119.1 | -177.5 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | T176 D178 I1008 | T176-V1014 WeakPolarHBondContact CB-O 3.05Å; T176-V1014 HydrophobicContact CG2-CG1 4.31Å; T176-V1014 PolarHBondContact OG1-O 2.73Å; D178-V1014 PolarHBondContact OD2-N 3.27Å; I1008-V1014 HydrophobicContact CD1-CG1 4.42Å; I1008-V1014 HydrophobicContact CG2-CG1 3.39Å |
| 1015 | H | 94.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.6 | -176.1 | -63.5 | -63.4 | 0 | 0 | 0 | 112.5 | D179 I1008 Y1009 | D179-H1015 WeakPolarHBondContact OD1-CA 3.42Å; D179-H1015 IonicContact OD1-CE1 2.95Å; D179-H1015 IonicContact OD1-CG 2.96Å; D179-H1015 IonicContact OD1-ND1 3.29Å; D179-H1015 PolarHBondContact OD1-ND1 3.17Å; I1008-H1015 WeakPolarHBondContact CA-O 3.49Å; Y1009-H1015 HydrophobicContact CD1-CB 4.11Å; Y1009-H1015 HydrophobicContact CD2-CB 4.38Å; Y1009-H1015 HydrophobicContact CE1-CB 3.52Å; Y1009-H1015 HydrophobicContact CE2-CB 3.85Å; Y1009-H1015 PolarHBondContact N-O 2.77Å; Y1009-H1015 PolarHBondContact O-N 2.54Å |
| 1016 | R | 96 | Very high | 94.5 | Very high | 33 Ų | 33 | 20.9 Ų | 20.9 | 13% | 0.125 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140.6 | 173.9 | -174.9 | 173.6 | -58 | -65.1 | -4.7 | 111.7 | R172 V174 T176 D179 L183 W185 T1006 L1007 I1008 | R172-R1016 PolarHBondContact O-NE 3.15Å; R172-R1016 PolarHBondContact O-NH1 3.33Å; R172-R1016 PolarHBondContact O-NH2 2.65Å; V174-R1016 WeakPolarHBondContact O-CD 3.4Å; V174-R1016 PolarHBondContact O-NE 3.03Å; T176-R1016 HydrophobicContact CG2-CB 4.1Å; D179-R1016 PolarHBondContact OD2-N 3.16Å; D179-R1016 VanDerWaalsContact OD2-N 3.1Å; L183-R1016 HydrophobicContact CD1-CB 4.01Å; W185-R1016 HydrophobicContact CH2-CG 4.33Å; T1006-R1016 PolarHBondContact OG1-NH1 3.29Å; L1007-R1016 WeakPolarHBondContact O-CA 3.08Å; I1008-R1016 HydrophobicContact CD1-CB 4.16Å |
| 1017 | A | 95.9 | Very high | 94.5 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 10% | 0.099 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 169 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | T1006 L1007 Y1009 V1019 | T1006-A1017 CarbonylContact C-O 3.55Å; L1007-A1017 WeakPolarHBondContact CA-O 3.29Å; L1007-A1017 PolarHBondContact N-O 2.84Å; L1007-A1017 PolarHBondContact O-N 2.82Å; L1007-A1017 VanDerWaalsContact O-N 3.1Å; Y1009-A1017 HydrophobicContact CD1-CB 4.11Å; Y1009-A1017 HydrophobicContact CE1-CB 3.68Å; A1017-V1019 WeakPolarHBondContact CB-O 3.09Å |
| 1018 | D | 96.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -126.8 | -5.3 | 164.9 | 64.3 | -13.4 | 0 | 0 | 0 | 112.5 | H130 G131 W185 F335 H1001 F1002 T1006 | H130-D1018 WeakPolarHBondContact CA-OD2 3.32Å; H130-D1018 WeakPolarHBondContact CB-OD2 3.31Å; H130-D1018 IonicContact CG-OD2 2.87Å; H130-D1018 IonicContact ND1-OD1 3.81Å; H130-D1018 IonicContact ND1-OD2 3.37Å; H130-D1018 PolarHBondContact ND1-OD2 3.2Å; H130-D1018 VanDerWaalsContact ND1-OD2 3.12Å; G131-D1018 PolarHBondContact N-OD2 2.85Å; W185-D1018 HydrophobicContact CZ3-CB 4.48Å; W185-D1018 VanDerWaalsContact CZ3-OD1 3.31Å; W185-D1018 WeakPolarHBondContact CZ3-OD1 3.41Å; F335-D1018 WeakPolarHBondContact CE2-OD1 3.49Å; H1001-D1018 WeakPolarHBondContact CA-O 3.24Å; H1001-D1018 IonicContact CE1-OD2 3.53Å; H1001-D1018 PolarHBondContact ND1-O 2.98Å; F1002-D1018 PolarHBondContact N-O 3.2Å; F1002-D1018 VanDerWaalsContact N-O 3.11Å; T1006-D1018 HydrophobicContact CG2-CB 4.27Å |
| 1019 | V | 97.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 7% | 0.073 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.7 | 169.4 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | A333 F335 V1000 H1001 A1017 | A333-V1019 HydrophobicContact CB-CG1 4.31Å; A333-V1019 HydrophobicContact CB-CG2 4.17Å; A333-V1019 WeakPolarHBondContact O-CG1 3.45Å; F335-V1019 HydrophobicContact CE2-CB 4.24Å; F335-V1019 HydrophobicContact CE2-CG2 3.69Å; F335-V1019 HydrophobicContact CZ-CG2 4.16Å; V1000-V1019 CarbonylContact O-C 3.53Å; V1000-V1019 VanDerWaalsContact O-CA 3.25Å; V1000-V1019 WeakPolarHBondContact O-CA 3.5Å; H1001-V1019 HydrophobicContact CB-CG2 3.98Å; A1017-V1019 WeakPolarHBondContact CB-O 3.09Å |
| 1020 | F | 97.5 | Very high | 94.7 | Very high | 28 Ų | 28 | 19.9 Ų | 19.9 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 128.8 | 173.9 | -167.2 | -88 | 0 | 0 | 0 | 111 | L988 V1000 Y1009 L1022 Q1028 V1030 | L988-F1020 HydrophobicContact CD1-CB 4Å; L988-F1020 HydrophobicContact CD1-CD1 4.05Å; L988-F1020 HydrophobicContact CD1-CG 4.18Å; V1000-F1020 PolarHBondContact N-O 2.96Å; V1000-F1020 PolarHBondContact O-N 2.7Å; Y1009-F1020 AromaticContact CD2-CE2 3.98Å; Y1009-F1020 HydrophobicContact CD2-CE2 3.98Å; Y1009-F1020 HydrophobicContact CE2-CE2 4.43Å; Y1009-F1020 HydrophobicContact CG-CD2 4.37Å; Y1009-F1020 HydrophobicContact CG-CE2 4.1Å; F1020-L1022 HydrophobicContact CD1-CD2 3.74Å; F1020-L1022 HydrophobicContact CD1-CG 4.27Å; F1020-L1022 HydrophobicContact CE1-CD2 3.84Å; F1020-Q1028 HydrophobicContact CD1-CB 4.32Å; F1020-Q1028 HydrophobicContact CE1-CB 3.5Å; F1020-Q1028 HydrophobicContact CE1-CG 3.77Å; F1020-Q1028 HydrophobicContact CE2-CB 4.43Å; F1020-Q1028 HydrophobicContact CE2-CG 3.76Å; F1020-Q1028 HydrophobicContact CZ-CB 3.59Å; F1020-Q1028 HydrophobicContact CZ-CG 3.36Å; F1020-V1030 HydrophobicContact CD2-CG1 4.22Å; F1020-V1030 HydrophobicContact CG-CG1 4.44Å |
| 1021 | D | 97.4 | Very high | 94.9 | Very high | 36 Ų | 36 | 18.8 Ų | 18.8 | 19% | 0.193 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.6 | -177 | -42.5 | -46.3 | 0 | 0 | 0 | 110.9 | F331 T334 T999 F1023 | F331-D1021 HydrophobicContact CD2-CB 4.37Å; T334-D1021 WeakPolarHBondContact CG2-OD2 3.44Å; T334-D1021 VanDerWaalsContact OG1-CG 3.28Å; T334-D1021 PolarHBondContact OG1-OD1 2.7Å; T334-D1021 PolarHBondContact OG1-OD2 3.37Å; T999-D1021 HydrophobicContact CG2-CB 4.47Å; T999-D1021 WeakPolarHBondContact CG2-OD1 3.15Å; D1021-F1023 HydrophobicContact CB-CE2 3.66Å; D1021-F1023 HydrophobicContact CB-CZ 3.71Å |
| 1022 | L | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.5 | 177.1 | -61.4 | 176.1 | 0 | 0 | 0 | 110.1 | F924 L988 M997 H998 V1000 F1020 T1026 | F924-L1022 HydrophobicContact CB-CD1 4.33Å; F924-L1022 HydrophobicContact CD2-CD1 3.76Å; F924-L1022 HydrophobicContact CE2-CD1 4.46Å; F924-L1022 HydrophobicContact CG-CD1 4.22Å; L988-L1022 HydrophobicContact CB-CD1 3.98Å; L988-L1022 HydrophobicContact CB-CD2 3.83Å; L988-L1022 HydrophobicContact CB-CG 4.45Å; M997-L1022 WeakPolarHBondContact CA-O 3.46Å; H998-L1022 HydrophobicContact CB-CB 4.31Å; H998-L1022 PolarHBondContact N-O 3.32Å; H998-L1022 WeakPolarHBondContact O-CB 3.31Å; H998-L1022 PolarHBondContact O-N 2.8Å; V1000-L1022 HydrophobicContact CG2-CD1 3.46Å; V1000-L1022 VanDerWaalsContact CG2-CD1 3.46Å; V1000-L1022 HydrophobicContact CG2-CG 4.06Å; F1020-L1022 HydrophobicContact CD1-CD2 3.74Å; F1020-L1022 HydrophobicContact CD1-CG 4.27Å; F1020-L1022 HydrophobicContact CE1-CD2 3.84Å; L1022-T1026 HydrophobicContact CD2-CG2 4.07Å |
| 1023 | F | 97.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 5% | 0.048 | 10% | 0.1 | C | C | . | . | trans | -138.3 | 169 | 178.4 | -50.5 | -80.4 | 0 | 0 | 0 | 109.1 | F331 I654 F677 G990 M997 D1021 G1025 T1026 | F331-F1023 AromaticContact CD1-CE1 3.75Å; F331-F1023 HydrophobicContact CD1-CE1 3.75Å; F331-F1023 AromaticContact CD1-CZ 3.98Å; F331-F1023 HydrophobicContact CD1-CZ 3.98Å; F331-F1023 HydrophobicContact CD2-CE1 4.23Å; F331-F1023 AromaticContact CD2-CZ 3.6Å; F331-F1023 HydrophobicContact CD2-CZ 3.6Å; F331-F1023 AromaticContact CE1-CE1 3.52Å; F331-F1023 HydrophobicContact CE1-CE1 3.52Å; F331-F1023 AromaticContact CE1-CZ 3.73Å; F331-F1023 HydrophobicContact CE1-CZ 3.73Å; F331-F1023 HydrophobicContact CE2-CE1 4.07Å; F331-F1023 HydrophobicContact CE2-CE2 4.24Å; F331-F1023 AromaticContact CE2-CZ 3.37Å; F331-F1023 HydrophobicContact CE2-CZ 3.37Å; F331-F1023 HydrophobicContact CG-CE1 4.1Å; F331-F1023 AromaticContact CG-CZ 3.91Å; F331-F1023 HydrophobicContact CG-CZ 3.91Å; F331-F1023 AromaticContact CZ-CE1 3.72Å; F331-F1023 HydrophobicContact CZ-CE1 3.72Å; F331-F1023 HydrophobicContact CZ-CE2 4.43Å; F331-F1023 AromaticContact CZ-CZ 3.45Å; F331-F1023 HydrophobicContact CZ-CZ 3.45Å; F331-F1023 VanDerWaalsContact CZ-CZ 3.45Å; I654-F1023 HydrophobicContact CG2-CB 4.14Å; I654-F1023 HydrophobicContact CG2-CD1 3.93Å; I654-F1023 HydrophobicContact CG2-CG 4.38Å; F677-F1023 AromaticContact CE1-CD1 3.57Å; F677-F1023 HydrophobicContact CE1-CD1 3.57Å; F677-F1023 HydrophobicContact CE1-CD2 4.38Å; F677-F1023 AromaticContact CE1-CE1 3.47Å; F677-F1023 HydrophobicContact CE1-CE1 3.47Å; F677-F1023 VanDerWaalsContact CE1-CE1 3.47Å; F677-F1023 HydrophobicContact CE1-CE2 4.31Å; F677-F1023 HydrophobicContact CE1-CG 4.04Å; F677-F1023 AromaticContact CE1-CZ 3.87Å; F677-F1023 HydrophobicContact CE1-CZ 3.87Å; F677-F1023 HydrophobicContact CE2-CE2 4.34Å; F677-F1023 HydrophobicContact CE2-CZ 4.37Å; F677-F1023 AromaticContact CZ-CD1 3.73Å; F677-F1023 HydrophobicContact CZ-CD1 3.73Å; F677-F1023 AromaticContact CZ-CD2 3.69Å; F677-F1023 HydrophobicContact CZ-CD2 3.69Å; F677-F1023 AromaticContact CZ-CE1 3.53Å; F677-F1023 HydrophobicContact CZ-CE1 3.53Å; F677-F1023 AromaticContact CZ-CE2 3.51Å; F677-F1023 HydrophobicContact CZ-CE2 3.51Å; F677-F1023 AromaticContact CZ-CG 3.8Å; F677-F1023 HydrophobicContact CZ-CG 3.8Å; F677-F1023 AromaticContact CZ-CZ 3.43Å; F677-F1023 HydrophobicContact CZ-CZ 3.43Å; F677-F1023 VanDerWaalsContact CZ-CZ 3.43Å; G990-F1023 CarbonylContact C-O 3.6Å; M997-F1023 HydrophobicContact CB-CD1 3.94Å; M997-F1023 HydrophobicContact CB-CE1 3.92Å; D1021-F1023 HydrophobicContact CB-CE2 3.66Å; D1021-F1023 HydrophobicContact CB-CZ 3.71Å; F1023-G1025 PolarHBondContact O-N 2.77Å; F1023-G1025 VanDerWaalsContact O-N 3.13Å; F1023-T1026 PolarHBondContact N-OG1 2.74Å; F1023-T1026 WeakPolarHBondContact O-CB 3.42Å; F1023-T1026 PolarHBondContact O-N 2.85Å; F1023-T1026 PolarHBondContact O-OG1 3.3Å | ||
| 1024 | P | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 120.3 | 178.2 | -29 | 37.4 | 0 | 0 | 0 | 113.3 | G656 R699 N993 D996 | G656-P1024 VanDerWaalsContact CA-O 3.3Å; G656-P1024 WeakPolarHBondContact CA-O 3.4Å; R699-P1024 HydrophobicContact CB-CB 4.28Å; N993-P1024 WeakPolarHBondContact O-CG 3.43Å; D996-P1024 HydrophobicContact CB-CG 4.27Å; D996-P1024 WeakPolarHBondContact O-CD 3.39Å |
| 1025 | G | 94 | Very high | 95.7 | Very high | 2 Ų | 2 | 15 Ų | 15 | 2% | 0.021 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | 6.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T673 G990 F1023 F1027 | T673-G1025 WeakPolarHBondContact CB-O 3.39Å; G990-G1025 PolarHBondContact O-N 3.44Å; F1023-G1025 PolarHBondContact O-N 2.77Å; F1023-G1025 VanDerWaalsContact O-N 3.13Å; G1025-F1027 WeakPolarHBondContact O-CE2 3.44Å |
| 1026 | T | 94.1 | Very high | 95.7 | Very high | 24 Ų | 24 | 15.4 Ų | 15.4 | 15% | 0.147 | 8% | 0.083 | C | C | . | . | trans | -82.3 | 121.7 | 174.3 | -54.4 | 0 | 0 | 0 | 0 | 110.2 | S675 G990 L1022 F1023 | S675-T1026 PolarHBondContact OG-OG1 2.64Å; S675-T1026 VanDerWaalsContact OG-OG1 3.09Å; G990-T1026 PolarHBondContact N-O 2.68Å; G990-T1026 PolarHBondContact O-N 3.06Å; L1022-T1026 HydrophobicContact CD2-CG2 4.07Å; F1023-T1026 PolarHBondContact N-OG1 2.74Å; F1023-T1026 WeakPolarHBondContact O-CB 3.42Å; F1023-T1026 PolarHBondContact O-N 2.85Å; F1023-T1026 PolarHBondContact O-OG1 3.3Å | ||
| 1027 | F | 95.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 16.1 Ų | 16.1 | 5% | 0.053 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124 | 174.9 | -44.3 | -55.3 | 0 | 0 | 0 | 109.7 | H836 T874 A876 L988 L989 M991 G1025 | H836-F1027 HydrophobicContact CB-CE2 4.23Å; H836-F1027 AromaticContact CD2-CE2 3.79Å; H836-F1027 AromaticContact CG-CE2 3.81Å; T874-F1027 VanDerWaalsContact O-CB 3.26Å; T874-F1027 WeakPolarHBondContact O-CB 3.46Å; A876-F1027 HydrophobicContact CB-CD1 4.33Å; A876-F1027 HydrophobicContact CB-CE1 3.6Å; A876-F1027 HydrophobicContact CB-CE2 4.18Å; A876-F1027 HydrophobicContact CB-CZ 3.51Å; L988-F1027 WeakPolarHBondContact O-CA 3.35Å; L989-F1027 HydrophobicContact CB-CD1 3.99Å; L989-F1027 HydrophobicContact CB-CE1 4.37Å; L989-F1027 HydrophobicContact CD2-CD1 3.9Å; L989-F1027 HydrophobicContact CD2-CE1 4.24Å; L989-F1027 HydrophobicContact CG-CD1 4.06Å; M991-F1027 HydrophobicContact CG-CE1 4.27Å; M991-F1027 HydrophobicContact SD-CE1 3.94Å; M991-F1027 HydrophobicContact SD-CZ 3.82Å; G1025-F1027 WeakPolarHBondContact O-CE2 3.44Å |
| 1028 | Q | 95.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 16.5 Ų | 16.5 | 6% | 0.061 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 136.7 | -178.9 | -174.6 | 66.9 | 34.5 | 0 | 0 | 111.6 | L988 F1020 V1030 | L988-Q1028 PolarHBondContact N-O 2.95Å; L988-Q1028 PolarHBondContact O-N 2.98Å; F1020-Q1028 HydrophobicContact CD1-CB 4.32Å; F1020-Q1028 HydrophobicContact CE1-CB 3.5Å; F1020-Q1028 HydrophobicContact CE1-CG 3.77Å; F1020-Q1028 HydrophobicContact CE2-CB 4.43Å; F1020-Q1028 HydrophobicContact CE2-CG 3.76Å; F1020-Q1028 HydrophobicContact CZ-CB 3.59Å; F1020-Q1028 HydrophobicContact CZ-CG 3.36Å; Q1028-V1030 HydrophobicContact CG-CG1 3.87Å |
| 1029 | T | 96.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 3% | 0.025 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.5 | 164.3 | -52.6 | 0 | 0 | 0 | 0 | 109 | P870 C872 T874 D985 W986 Y987 | P870-T1029 HydrophobicContact CG-CG2 4.24Å; C872-T1029 PolarHBondContact O-OG1 2.84Å; T874-T1029 PolarHBondContact OG1-OG1 2.9Å; D985-T1029 HydrophobicContact CB-CG2 4.14Å; W986-T1029 WeakPolarHBondContact O-CA 3.3Å; Y987-T1029 HydrophobicContact CD1-CG2 3.92Å; Y987-T1029 HydrophobicContact CE1-CG2 3.91Å |
| 1030 | V | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.2 | 172.2 | -55 | 0 | 0 | 0 | 0 | 110.4 | D985 W986 L988 L1007 I1008 F1020 Q1028 | D985-V1030 WeakPolarHBondContact CA-O 3.41Å; W986-V1030 HydrophobicContact CB-CG2 3.69Å; W986-V1030 HydrophobicContact CG-CG2 4.36Å; W986-V1030 PolarHBondContact N-O 3.03Å; W986-V1030 PolarHBondContact O-N 2.85Å; L988-V1030 HydrophobicContact CD1-CG1 4.15Å; L988-V1030 HydrophobicContact CD1-CG2 3.97Å; L988-V1030 HydrophobicContact CG-CG2 4.21Å; L1007-V1030 HydrophobicContact CB-CB 4.31Å; L1007-V1030 HydrophobicContact CD1-CB 4.28Å; L1007-V1030 HydrophobicContact CD1-CG2 3.75Å; L1007-V1030 HydrophobicContact CD2-CG2 4.37Å; L1007-V1030 HydrophobicContact CG-CG2 4.43Å; I1008-V1030 CarbonylContact O-C 3.57Å; I1008-V1030 WeakPolarHBondContact O-CA 3.26Å; F1020-V1030 HydrophobicContact CD2-CG1 4.22Å; F1020-V1030 HydrophobicContact CG-CG1 4.44Å; Q1028-V1030 HydrophobicContact CG-CG1 3.87Å |
| 1031 | E | 96.6 | Very high | 95.8 | Very high | 48 Ų | 48 | 15.5 Ų | 15.5 | 22% | 0.224 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 133 | -173.7 | -57.7 | 173 | 171.7 | 0 | 0 | 109.4 | I1008 R1010 | I1008-E1031 HydrophobicContact CB-CB 4.27Å; I1008-E1031 PolarHBondContact N-O 3.39Å; I1008-E1031 PolarHBondContact O-N 3.26Å; R1010-E1031 IonicContact CZ-OE1 3.37Å; R1010-E1031 IonicContact NE-OE1 2.65Å; R1010-E1031 PolarHBondContact NE-OE1 2.87Å; R1010-E1031 VanDerWaalsContact NE-OE1 3.15Å; R1010-E1031 IonicContact NE-OE2 3.67Å; R1010-E1031 IonicContact NH2-OE1 4Å; R1010-E1031 IonicContact NH2-OE2 3.42Å; R1010-E1031 PolarHBondContact NH2-OE2 2.6Å |
| 1032 | M | 95.9 | Very high | 95.8 | Very high | 5 Ų | 5 | 13.8 Ų | 13.8 | 3% | 0.025 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.7 | 178.3 | -170.2 | 179.1 | 79.3 | 0 | 0 | 110.8 | M978 V984 W986 E1005 L1007 A1034 Y1058 | M978-M1032 HydrophobicContact CE-CE 3.89Å; M978-M1032 HydrophobicContact SD-CE 3.16Å; M978-M1032 WeakPolarHBondContact SD-CE 3.33Å; V984-M1032 HydrophobicContact CB-CB 4.48Å; V984-M1032 HydrophobicContact CB-CE 4.4Å; V984-M1032 PolarHBondContact N-O 2.85Å; V984-M1032 PolarHBondContact O-N 2.99Å; W986-M1032 HydrophobicContact CZ2-CE 3.9Å; E1005-M1032 HydrophobicContact CB-CG 4.37Å; E1005-M1032 HydrophobicContact CB-SD 3.8Å; E1005-M1032 HydrophobicContact CG-SD 4.04Å; L1007-M1032 HydrophobicContact CD2-CB 3.85Å; L1007-M1032 HydrophobicContact CD2-CG 4.01Å; L1007-M1032 HydrophobicContact CD2-SD 4Å; M1032-A1034 HydrophobicContact CE-CB 4.38Å; M1032-Y1058 HydrophobicContact CE-CE2 4.4Å |
| 1033 | V | 94.7 | Very high | 95.9 | Very high | 51 Ų | 51 | 13.9 Ų | 13.9 | 31% | 0.309 | 9% | 0.085 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 104.2 | 167.3 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | R172 E982 R983 A1035 | R172-V1033 VanDerWaalsContact NH1-CG1 3.3Å; R172-V1033 PolarHBondContact NH1-O 3.21Å; E982-V1033 WeakPolarHBondContact O-CA 3.32Å; R983-V1033 HydrophobicContact CG-CG2 4.41Å; V1033-A1035 PolarHBondContact O-N 3.29Å |
| 1034 | A | 94.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -57 | 110.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111 | M978 E980 N981 E982 M1032 I1060 | M978-A1034 HydrophobicContact CG-CB 3.87Å; M978-A1034 HydrophobicContact SD-CB 3.74Å; E980-A1034 CarbonylContact C-O 3.55Å; N981-A1034 WeakPolarHBondContact CA-O 3.28Å; N981-A1034 PolarHBondContact N-O 3.28Å; E982-A1034 PolarHBondContact O-N 3.34Å; E982-A1034 VanDerWaalsContact O-N 3.14Å; M1032-A1034 HydrophobicContact CE-CB 4.38Å; A1034-I1060 HydrophobicContact CB-CD1 3.86Å; A1034-I1060 HydrophobicContact CB-CG1 4Å; A1034-I1060 HydrophobicContact CB-CG2 4.01Å | ||
| 1035 | A | 89.4 | Confident | 95.9 | Very high | 18 Ų | 18 | 13.4 Ų | 13.4 | 15% | 0.149 | 8% | 0.083 | C | C | . | . | trans | -114.6 | -24.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1005 V1033 P1037 | E1005-A1035 WeakPolarHBondContact OE1-CA 3.43Å; E1005-A1035 PolarHBondContact OE1-N 2.84Å; V1033-A1035 PolarHBondContact O-N 3.29Å; A1035-P1037 WeakPolarHBondContact O-CD 3.35Å | ||
| 1036 | N | 93.4 | Very high | 96.1 | Very high | 11 Ų | 11 | 13.3 Ų | 13.3 | 6% | 0.059 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -118.7 | 97.4 | -167.7 | -160 | 2.9 | 0 | 0 | 0 | 111.6 | F133 Y134 E1005 G1038 W1040 I1060 | F133-N1036 HydrophobicContact CE2-CB 3.87Å; F133-N1036 VanDerWaalsContact CE2-CG 3.49Å; Y134-N1036 PolarHBondContact O-ND2 2.95Å; E1005-N1036 WeakPolarHBondContact OE1-CB 3.47Å; E1005-N1036 PolarHBondContact OE1-N 3.21Å; N1036-G1038 PolarHBondContact O-N 3.42Å; N1036-W1040 HydrophobicContact CB-CZ2 4.05Å; N1036-W1040 WeakPolarHBondContact ND2-CH2 3.45Å; N1036-W1040 WeakPolarHBondContact ND2-CZ2 3.41Å; N1036-W1040 PolarHBondContact O-NE1 2.87Å; N1036-I1060 WeakPolarHBondContact O-CB 3.37Å; N1036-I1060 WeakPolarHBondContact O-CD1 3.41Å |
| 1037 | P | 95.7 | Very high | 96.2 | Very high | 48 Ų | 48 | 12.5 Ų | 12.5 | 31% | 0.312 | 8% | 0.076 | S | C | . | . | trans | -58.3 | 129.2 | 178.2 | -26.6 | 35.8 | 0 | 0 | 0 | 112.9 | E980 A1035 I1060 A1062 | E980-P1037 HydrophobicContact CB-CG 4.25Å; E980-P1037 HydrophobicContact CG-CG 4.12Å; A1035-P1037 WeakPolarHBondContact O-CD 3.35Å; P1037-I1060 CarbonylContact C-O 3.57Å; P1037-I1060 VanDerWaalsContact CA-O 3.26Å; P1037-I1060 WeakPolarHBondContact CA-O 3.48Å; P1037-A1062 HydrophobicContact CB-CB 3.94Å; P1037-A1062 HydrophobicContact CG-CB 3.94Å | ||
| 1038 | G | 95.7 | Very high | 96.2 | Very high | 19 Ų | 19 | 14 Ų | 14 | 20% | 0.196 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164 | 177.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1036 I1059 I1060 | N1036-G1038 PolarHBondContact O-N 3.42Å; G1038-I1059 WeakPolarHBondContact O-CA 3.5Å; G1038-I1060 PolarHBondContact N-O 2.96Å; G1038-I1060 PolarHBondContact O-N 3.39Å |
| 1039 | T | 97.5 | Very high | 96.4 | Very high | 21 Ų | 21 | 13.3 Ų | 13.3 | 13% | 0.129 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 115.6 | 166.5 | -51.3 | 0 | 0 | 0 | 0 | 107.3 | Y143 D145 T1057 I1059 | Y143-T1039 PolarHBondContact OH-O 2.82Å; D145-T1039 VanDerWaalsContact O-CB 3.24Å; D145-T1039 WeakPolarHBondContact O-CB 3.28Å; D145-T1039 PolarHBondContact O-OG1 2.82Å; T1039-T1057 HydrophobicContact CG2-CG2 3.96Å; T1039-I1059 HydrophobicContact CG2-CG1 4.27Å |
| 1040 | W | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 143.1 | -170.5 | -59.2 | 112.4 | 0 | 0 | 0 | 110.5 | Y134 K136 E139 Y143 H1003 A1004 N1036 T1057 Y1058 | Y134-W1040 HydrophobicContact CD2-CH2 4.44Å; Y134-W1040 HydrophobicContact CD2-CZ3 4.17Å; Y134-W1040 HydrophobicContact CE2-CE3 4.47Å; Y134-W1040 HydrophobicContact CE2-CH2 4.39Å; Y134-W1040 AromaticContact CE2-CZ3 3.74Å; Y134-W1040 HydrophobicContact CE2-CZ3 3.74Å; K136-W1040 HydrophobicContact CB-CH2 4.49Å; K136-W1040 HydrophobicContact CD-CD2 4.31Å; K136-W1040 HydrophobicContact CD-CE3 3.66Å; K136-W1040 HydrophobicContact CD-CH2 3.54Å; K136-W1040 HydrophobicContact CD-CZ2 4.14Å; K136-W1040 HydrophobicContact CD-CZ3 3.25Å; K136-W1040 HydrophobicContact CG-CH2 3.66Å; K136-W1040 HydrophobicContact CG-CZ2 4.1Å; K136-W1040 HydrophobicContact CG-CZ3 3.94Å; E139-W1040 WeakPolarHBondContact OE2-CZ3 3.42Å; Y143-W1040 WeakPolarHBondContact OH-CA 3.22Å; H1003-W1040 HydrophobicContact CB-CB 4.23Å; H1003-W1040 HydrophobicContact CB-CE3 4.4Å; A1004-W1040 HydrophobicContact CB-CD2 3.35Å; A1004-W1040 HydrophobicContact CB-CE3 3.29Å; A1004-W1040 HydrophobicContact CB-CG 4.04Å; A1004-W1040 HydrophobicContact CB-CH2 3.61Å; A1004-W1040 HydrophobicContact CB-CZ2 3.72Å; A1004-W1040 HydrophobicContact CB-CZ3 3.4Å; A1004-W1040 VanDerWaalsContact CB-CZ3 3.4Å; N1036-W1040 HydrophobicContact CB-CZ2 4.05Å; N1036-W1040 WeakPolarHBondContact ND2-CH2 3.45Å; N1036-W1040 WeakPolarHBondContact ND2-CZ2 3.41Å; N1036-W1040 PolarHBondContact O-NE1 2.87Å; W1040-T1057 CarbonylContact O-C 3.56Å; W1040-T1057 WeakPolarHBondContact O-CA 2.86Å; W1040-T1057 WeakPolarHBondContact O-CB 3.24Å; W1040-Y1058 HydrophobicContact CB-CD1 3.91Å; W1040-Y1058 HydrophobicContact CB-CE1 3.34Å; W1040-Y1058 HydrophobicContact CB-CE2 4.13Å; W1040-Y1058 VanDerWaalsContact CB-CZ 3.47Å; W1040-Y1058 AromaticContact CD1-CE2 3.89Å; W1040-Y1058 AromaticContact CD1-CZ 3.88Å; W1040-Y1058 HydrophobicContact CG-CE1 4.32Å; W1040-Y1058 HydrophobicContact CG-CE2 4.39Å; W1040-Y1058 AromaticContact CG-CZ 3.96Å; W1040-Y1058 PolarHBondContact N-O 3.37Å; W1040-Y1058 WeakPolarHBondContact O-CD1 3.23Å; W1040-Y1058 PolarHBondContact O-N 3.27Å |
| 1041 | L | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 14.9 Ų | 14.9 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 145.8 | 177.2 | -165.9 | 69.9 | 0 | 0 | 0 | 110.5 | Y143 W752 H1003 T1056 T1057 | Y143-L1041 HydrophobicContact CD1-CB 4.27Å; Y143-L1041 HydrophobicContact CD1-CD2 4.31Å; Y143-L1041 HydrophobicContact CD2-CB 4.23Å; Y143-L1041 HydrophobicContact CD2-CD1 4Å; Y143-L1041 HydrophobicContact CE1-CB 3.98Å; Y143-L1041 HydrophobicContact CE2-CB 3.92Å; Y143-L1041 HydrophobicContact CE2-CD1 4.45Å; Y143-L1041 HydrophobicContact CG-CB 4.41Å; Y143-L1041 HydrophobicContact CG-CD1 4.14Å; Y143-L1041 HydrophobicContact CG-CD2 4.48Å; Y143-L1041 PolarHBondContact OH-N 3.46Å; W752-L1041 HydrophobicContact CH2-CD1 4.04Å; W752-L1041 HydrophobicContact CZ2-CD1 3.88Å; H1003-L1041 HydrophobicContact CB-CB 4.39Å; H1003-L1041 WeakPolarHBondContact CB-O 3.49Å; H1003-L1041 PolarHBondContact N-O 3.06Å; L1041-T1056 WeakPolarHBondContact CD1-O 3.33Å; L1041-T1057 HydrophobicContact CD1-CG2 4.49Å |
| 1042 | L | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 116.7 | 173 | -178.5 | 162.8 | 0 | 0 | 0 | 106.8 | L922 F924 I965 L976 W986 H1001 F1002 E1055 T1056 Y1058 | L922-L1042 HydrophobicContact CD1-CD1 3.79Å; L922-L1042 HydrophobicContact CD1-CD2 4.17Å; F924-L1042 HydrophobicContact CE1-CD2 4.49Å; F924-L1042 HydrophobicContact CZ-CD2 3.78Å; I965-L1042 HydrophobicContact CD1-CD2 3.68Å; L976-L1042 HydrophobicContact CD1-CD1 4.43Å; W986-L1042 HydrophobicContact CH2-CD1 4.18Å; W986-L1042 HydrophobicContact CZ3-CD1 4.06Å; H1001-L1042 WeakPolarHBondContact O-CA 3.27Å; F1002-L1042 HydrophobicContact CD1-CD1 3.74Å; F1002-L1042 HydrophobicContact CD1-CG 4.24Å; F1002-L1042 HydrophobicContact CE1-CD1 3.31Å; F1002-L1042 HydrophobicContact CE1-CG 4.12Å; F1002-L1042 HydrophobicContact CZ-CD1 3.92Å; F1002-L1042 HydrophobicContact CZ-CG 4.5Å; L1042-E1055 WeakPolarHBondContact O-CA 3.34Å; L1042-T1056 HydrophobicContact CB-CG2 4.32Å; L1042-T1056 HydrophobicContact CD2-CG2 4.18Å; L1042-T1056 PolarHBondContact N-O 3.46Å; L1042-T1056 PolarHBondContact O-N 3.49Å; L1042-T1056 VanDerWaalsContact O-O 3.1Å; L1042-Y1058 HydrophobicContact CB-CD1 4.11Å; L1042-Y1058 HydrophobicContact CD1-CD1 4.39Å |
| 1043 | H | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.009 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 165 | -173.5 | 69.2 | 98.5 | 0 | 0 | 0 | 112 | H190 H1001 H1003 H1045 M1054 E1055 | H190-H1043 AromaticContact NE2-NE2 3.94Å; H1001-H1043 AromaticContact CD2-NE2 3.55Å; H1001-H1043 PolarHBondContact N-O 3.06Å; H1001-H1043 PolarHBondContact O-N 3.43Å; H1003-H1043 AromaticContact CD2-NE2 3.97Å; H1003-H1043 AromaticContact NE2-CD2 3.61Å; H1003-H1043 AromaticContact NE2-NE2 3.32Å; H1003-H1043 PolarHBondContact NE2-NE2 2.55Å; H1043-H1045 AromaticContact CE1-CD2 3.68Å; H1043-M1054 WeakPolarHBondContact CA-O 3.35Å; H1043-E1055 HydrophobicContact CB-CB 3.66Å |
| 1044 | C | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 140.4 | 163.3 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | F924 T999 V1046 H1049 I1050 M1054 | F924-C1044 HydrophobicContact CD1-CB 4.45Å; T999-C1044 CarbonylContact O-C 3.56Å; T999-C1044 WeakPolarHBondContact O-CA 3.06Å; C1044-V1046 PolarHBondContact SG-N 3.5Å; C1044-H1049 HydrophobicContact CB-CB 4Å; C1044-H1049 PolarHBondContact SG-ND1 2.91Å; C1044-I1050 WeakPolarHBondContact O-CD1 3.49Å; C1044-I1050 WeakPolarHBondContact O-CG1 3.33Å; C1044-M1054 HydrophobicContact CB-CB 4.28Å; C1044-M1054 HydrophobicContact CB-CG 4.03Å; C1044-M1054 HydrophobicContact CB-SD 3.67Å; C1044-M1054 PolarHBondContact N-O 3.09Å |
| 1045 | H | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | trans | -92.1 | 2.5 | 179.8 | -140.4 | -67.6 | 0 | 0 | 0 | 114.1 | H130 H188 A333 T999 H1043 | H130-H1045 AromaticContact CE1-CD2 3.98Å; H130-H1045 AromaticContact CE1-NE2 3.85Å; H130-H1045 AromaticContact NE2-NE2 3.62Å; H188-H1045 AromaticContact CE1-NE2 3.92Å; H188-H1045 AromaticContact NE2-CE1 3.6Å; H188-H1045 AromaticContact NE2-NE2 3.27Å; H188-H1045 PolarHBondContact NE2-NE2 3.14Å; A333-H1045 HydrophobicContact CB-CB 3.62Å; T999-H1045 PolarHBondContact O-N 3.1Å; T999-H1045 WeakPolarHBondContact OG1-CA 3.33Å; T999-H1045 VanDerWaalsContact OG1-CB 3.26Å; T999-H1045 WeakPolarHBondContact OG1-CB 3.27Å; T999-H1045 PolarHBondContact OG1-N 3.27Å; H1043-H1045 AromaticContact CE1-CD2 3.68Å | ||
| 1046 | V | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -73.1 | 130.3 | 169.4 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | E305 P332 M997 C1044 D1048 H1049 I1050 | E305-V1046 HydrophobicContact CG-CG1 3.85Å; P332-V1046 HydrophobicContact CB-CG2 4.11Å; P332-V1046 HydrophobicContact CG-CB 4.49Å; P332-V1046 HydrophobicContact CG-CG2 3.96Å; M997-V1046 HydrophobicContact CG-CG2 4.07Å; M997-V1046 WeakPolarHBondContact O-CG2 3.38Å; C1044-V1046 PolarHBondContact SG-N 3.5Å; V1046-D1048 PolarHBondContact O-N 3.26Å; V1046-H1049 HydrophobicContact CB-CB 4.15Å; V1046-H1049 WeakPolarHBondContact CB-ND1 3.22Å; V1046-H1049 PolarHBondContact O-N 3Å; V1046-I1050 WeakPolarHBondContact O-CG1 3.2Å; V1046-I1050 PolarHBondContact O-N 3.26Å; V1046-I1050 VanDerWaalsContact O-N 3.12Å |
| 1047 | F | 96.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 9.5 Ų | 9.5 | 4% | 0.035 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.8 | -50.1 | -169 | -73.6 | 0.3 | 0 | 0 | 0 | 114.5 | P194 I197 L243 M302 G303 N304 H1049 I1050 H1051 | P194-F1047 HydrophobicContact CB-CB 3.79Å; P194-F1047 HydrophobicContact CB-CD1 3.95Å; P194-F1047 HydrophobicContact CB-CD2 3.83Å; P194-F1047 HydrophobicContact CB-CE2 4.41Å; P194-F1047 HydrophobicContact CB-CG 3.57Å; P194-F1047 HydrophobicContact CG-CB 3.87Å; P194-F1047 HydrophobicContact CG-CD1 3.92Å; P194-F1047 HydrophobicContact CG-CG 3.88Å; I197-F1047 HydrophobicContact CB-CE1 4.45Å; I197-F1047 HydrophobicContact CB-CZ 3.78Å; I197-F1047 HydrophobicContact CD1-CE1 4.1Å; I197-F1047 HydrophobicContact CD1-CZ 4.24Å; I197-F1047 HydrophobicContact CG2-CZ 3.73Å; L243-F1047 HydrophobicContact CD1-CD2 3.95Å; M302-F1047 HydrophobicContact CG-CE1 4.38Å; M302-F1047 HydrophobicContact CG-CZ 4.12Å; M302-F1047 HydrophobicContact SD-CE1 3.9Å; M302-F1047 HydrophobicContact SD-CZ 4.24Å; G303-F1047 VanDerWaalsContact O-CD1 3.23Å; G303-F1047 WeakPolarHBondContact O-CD1 3.19Å; G303-F1047 VanDerWaalsContact O-CG 3.28Å; G303-F1047 WeakPolarHBondContact O-CG 3.33Å; G303-F1047 PolarHBondContact O-N 2.83Å; N304-F1047 HydrophobicContact CB-CB 4.16Å; F1047-H1049 PolarHBondContact O-N 3.14Å; F1047-I1050 PolarHBondContact O-N 2.94Å; F1047-H1051 PolarHBondContact O-N 2.92Å |
| 1048 | D | 95.9 | Very high | 97.3 | Very high | 42 Ų | 42 | 7.2 Ų | 7.2 | 23% | 0.225 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.4 | -51.2 | 178.2 | -171.8 | 80.5 | 0 | 0 | 0 | 110.2 | N304 H963 V1046 I1050 H1051 S1052 | N304-D1048 VanDerWaalsContact OD1-CB 3.24Å; N304-D1048 WeakPolarHBondContact OD1-CB 3.4Å; N304-D1048 PolarHBondContact OD1-N 3.4Å; H963-D1048 IonicContact CD2-OD2 3.9Å; H963-D1048 IonicContact CE1-OD2 2.86Å; H963-D1048 IonicContact NE2-OD2 2.98Å; V1046-D1048 PolarHBondContact O-N 3.26Å; D1048-I1050 PolarHBondContact O-N 2.97Å; D1048-H1051 CarbonylContact O-C 3.36Å; D1048-H1051 PolarHBondContact O-N 3.48Å; D1048-S1052 VanDerWaalsContact O-CB 3.3Å; D1048-S1052 WeakPolarHBondContact O-CB 3.29Å; D1048-S1052 PolarHBondContact O-N 2.94Å; D1048-S1052 PolarHBondContact O-OG 3.17Å; D1048-S1052 VanDerWaalsContact O-OG 3.05Å; D1048-S1052 PolarHBondContact OD2-OG 2.94Å |
| 1049 | H | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -55 | -32.7 | -179.7 | -58.2 | 169.9 | 0 | 0 | 0 | 113.2 | E305 H963 I995 M997 H998 C1044 V1046 F1047 G1053 M1054 | E305-H1049 IonicContact OE1-CD2 2.83Å; E305-H1049 PolarHBondContact OE1-CD2 3.24Å; E305-H1049 IonicContact OE1-NE2 3.14Å; E305-H1049 PolarHBondContact OE1-NE2 3.08Å; E305-H1049 VanDerWaalsContact OE1-NE2 3.11Å; H963-H1049 AromaticContact CD2-CD2 3.49Å; H963-H1049 PolarHBondContact CD2-CD2 3.13Å; H963-H1049 VanDerWaalsContact CD2-CD2 3.49Å; I995-H1049 PolarHBondContact O-CE1 3.39Å; I995-H1049 PolarHBondContact O-NE2 3.21Å; M997-H1049 PolarHBondContact O-CE1 3.23Å; M997-H1049 PolarHBondContact O-ND1 3.05Å; H998-H1049 AromaticContact CE1-CE1 3.64Å; H998-H1049 AromaticContact CE1-ND1 3.85Å; H998-H1049 AromaticContact ND1-CE1 3.36Å; H998-H1049 PolarHBondContact ND1-CE1 2.66Å; H998-H1049 AromaticContact ND1-ND1 3.24Å; H998-H1049 PolarHBondContact ND1-ND1 2.72Å; C1044-H1049 HydrophobicContact CB-CB 4Å; C1044-H1049 PolarHBondContact SG-ND1 2.91Å; V1046-H1049 HydrophobicContact CB-CB 4.15Å; V1046-H1049 WeakPolarHBondContact CB-ND1 3.22Å; V1046-H1049 PolarHBondContact O-N 3Å; F1047-H1049 PolarHBondContact O-N 3.14Å; H1049-G1053 PolarHBondContact O-N 2.88Å; H1049-M1054 HydrophobicContact CB-CB 4.07Å; H1049-M1054 HydrophobicContact CB-CE 4.4Å; H1049-M1054 HydrophobicContact CB-SD 4.2Å; H1049-M1054 WeakPolarHBondContact O-CA 3.4Å; H1049-M1054 WeakPolarHBondContact O-CB 3.15Å; H1049-M1054 PolarHBondContact O-N 3.21Å |
| 1050 | I | 95.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 7.6 Ų | 7.6 | 3% | 0.031 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -68.4 | -51.2 | 173.7 | -64 | 167.4 | 0 | 0 | 0 | 110.9 | P194 C1044 V1046 F1047 D1048 S1052 G1053 | P194-I1050 HydrophobicContact CG-CB 4.41Å; P194-I1050 HydrophobicContact CG-CD1 4.35Å; C1044-I1050 WeakPolarHBondContact O-CD1 3.49Å; C1044-I1050 WeakPolarHBondContact O-CG1 3.33Å; V1046-I1050 WeakPolarHBondContact O-CG1 3.2Å; V1046-I1050 PolarHBondContact O-N 3.26Å; V1046-I1050 VanDerWaalsContact O-N 3.12Å; F1047-I1050 PolarHBondContact O-N 2.94Å; D1048-I1050 PolarHBondContact O-N 2.97Å; I1050-S1052 VanDerWaalsContact C-N 3.26Å; I1050-S1052 PolarHBondContact O-N 2.95Å; I1050-G1053 PolarHBondContact O-N 3.02Å |
| 1051 | H | 93.8 | Very high | 97.3 | Very high | 32 Ų | 32 | 14.7 Ų | 14.7 | 15% | 0.148 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -64.8 | -33 | -179.3 | -75.5 | 171.6 | 0 | 0 | 0 | 112 | D192 P194 P765 Y970 F1047 D1048 G1053 | D192-H1051 IonicContact OD1-CD2 2.78Å; D192-H1051 IonicContact OD1-CE1 3.04Å; D192-H1051 IonicContact OD1-NE2 3.01Å; D192-H1051 PolarHBondContact OD1-NE2 3.5Å; D192-H1051 IonicContact OD2-NE2 3.48Å; P194-H1051 WeakPolarHBondContact CG-NE2 3.43Å; P765-H1051 HydrophobicContact CB-CB 4.49Å; Y970-H1051 PolarHBondContact OH-O 3.49Å; F1047-H1051 PolarHBondContact O-N 2.92Å; D1048-H1051 CarbonylContact O-C 3.36Å; D1048-H1051 PolarHBondContact O-N 3.48Å; H1051-G1053 VanDerWaalsContact C-N 3.31Å; H1051-G1053 PolarHBondContact O-N 2.94Å |
| 1052 | S | 96.6 | Very high | 97 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -6.2 | 179 | -56.2 | 0 | 0 | 0 | 0 | 113.9 | F769 H963 Y970 D1048 I1050 | F769-S1052 VanDerWaalsContact CE2-OG 3.31Å; F769-S1052 WeakPolarHBondContact CE2-OG 3.28Å; F769-S1052 WeakPolarHBondContact CZ-OG 3.26Å; H963-S1052 VanDerWaalsContact ND1-CB 3.26Å; H963-S1052 WeakPolarHBondContact ND1-CB 3.26Å; Y970-S1052 WeakPolarHBondContact OH-CA 3.16Å; Y970-S1052 PolarHBondContact OH-O 3.39Å; D1048-S1052 VanDerWaalsContact O-CB 3.3Å; D1048-S1052 WeakPolarHBondContact O-CB 3.29Å; D1048-S1052 PolarHBondContact O-N 2.94Å; D1048-S1052 PolarHBondContact O-OG 3.17Å; D1048-S1052 VanDerWaalsContact O-OG 3.05Å; D1048-S1052 PolarHBondContact OD2-OG 2.94Å; I1050-S1052 VanDerWaalsContact C-N 3.26Å; I1050-S1052 PolarHBondContact O-N 2.95Å |
| 1053 | G | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.7 | 16.7 | 163 | 0 | 0 | 0 | 0 | 0 | 116.4 | H963 L969 Y970 H1049 I1050 H1051 E1055 | H963-G1053 CarbonylContact O-C 3.47Å; L969-G1053 CarbonylContact C-O 3.48Å; L969-G1053 VanDerWaalsContact CA-O 3.32Å; L969-G1053 WeakPolarHBondContact CA-O 3.42Å; Y970-G1053 VanDerWaalsContact CD1-CA 3.46Å; Y970-G1053 PolarHBondContact N-O 3.17Å; H1049-G1053 PolarHBondContact O-N 2.88Å; I1050-G1053 PolarHBondContact O-N 3.02Å; H1051-G1053 VanDerWaalsContact C-N 3.31Å; H1051-G1053 PolarHBondContact O-N 2.94Å; G1053-E1055 PolarHBondContact O-N 2.9Å |
| 1054 | M | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -76.4 | 62.7 | 178.3 | -163.1 | 177 | -68.8 | 0 | 0 | 112.1 | F924 V926 H963 I965 H998 H1043 C1044 H1049 | F924-M1054 HydrophobicContact CB-SD 4.27Å; F924-M1054 HydrophobicContact CD1-CG 3.98Å; F924-M1054 HydrophobicContact CD1-SD 3.64Å; F924-M1054 HydrophobicContact CE1-CG 4.39Å; F924-M1054 HydrophobicContact CG-SD 4.45Å; V926-M1054 HydrophobicContact CG2-CE 4.05Å; H963-M1054 HydrophobicContact CB-CB 4.43Å; H963-M1054 HydrophobicContact CB-CE 4.05Å; H963-M1054 WeakPolarHBondContact O-CA 3.37Å; H963-M1054 PolarHBondContact O-N 2.94Å; I965-M1054 HydrophobicContact CD1-CG 4.46Å; I965-M1054 HydrophobicContact CG1-CG 3.76Å; H998-M1054 PolarHBondContact ND1-SD 2.83Å; H1043-M1054 WeakPolarHBondContact CA-O 3.35Å; C1044-M1054 HydrophobicContact CB-CB 4.28Å; C1044-M1054 HydrophobicContact CB-CG 4.03Å; C1044-M1054 HydrophobicContact CB-SD 3.67Å; C1044-M1054 PolarHBondContact N-O 3.09Å; H1049-M1054 HydrophobicContact CB-CB 4.07Å; H1049-M1054 HydrophobicContact CB-CE 4.4Å; H1049-M1054 HydrophobicContact CB-SD 4.2Å; H1049-M1054 WeakPolarHBondContact O-CA 3.4Å; H1049-M1054 WeakPolarHBondContact O-CB 3.15Å; H1049-M1054 PolarHBondContact O-N 3.21Å | ||
| 1055 | E | 97.1 | Very high | 92.4 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 149.8 | -174.6 | 61.6 | -174.9 | 165.6 | 0 | 0 | 112.8 | W752 K756 G971 L1042 H1043 G1053 | W752-E1055 HydrophobicContact CH2-CG 3.71Å; W752-E1055 WeakPolarHBondContact CH2-OE2 3.37Å; W752-E1055 VanDerWaalsContact CZ3-CD 3.41Å; W752-E1055 HydrophobicContact CZ3-CG 3.74Å; W752-E1055 WeakPolarHBondContact CZ3-OE1 3.45Å; K756-E1055 VanDerWaalsContact CD-OE1 3.25Å; K756-E1055 WeakPolarHBondContact CD-OE1 3.46Å; K756-E1055 WeakPolarHBondContact CE-OE1 3.38Å; K756-E1055 IonicContact NZ-OE1 2.75Å; K756-E1055 PolarHBondContact NZ-OE1 3.15Å; K756-E1055 IonicContact NZ-OE2 3.22Å; K756-E1055 PolarHBondContact NZ-OE2 2.84Å; G971-E1055 PolarHBondContact N-O 3.18Å; L1042-E1055 WeakPolarHBondContact O-CA 3.34Å; H1043-E1055 HydrophobicContact CB-CB 3.66Å; G1053-E1055 PolarHBondContact O-N 2.9Å |
| 1056 | T | 98.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | -174.8 | 173.6 | -165 | 0 | 0 | 0 | 0 | 112.1 | I965 L973 L976 L1041 L1042 | I965-T1056 HydrophobicContact CD1-CG2 4.15Å; L973-T1056 HydrophobicContact CB-CG2 4.14Å; L973-T1056 HydrophobicContact CD2-CG2 4.18Å; L973-T1056 PolarHBondContact O-OG1 3.37Å; L976-T1056 HydrophobicContact CD1-CG2 3.93Å; L1041-T1056 WeakPolarHBondContact CD1-O 3.33Å; L1042-T1056 HydrophobicContact CB-CG2 4.32Å; L1042-T1056 HydrophobicContact CD2-CG2 4.18Å; L1042-T1056 PolarHBondContact N-O 3.46Å; L1042-T1056 PolarHBondContact O-N 3.49Å; L1042-T1056 VanDerWaalsContact O-O 3.1Å |
| 1057 | T | 98.4 | Very high | 87 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 9% | 0.092 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147.2 | 174.4 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | Y143 W752 T1039 W1040 L1041 | Y143-T1057 HydrophobicContact CD2-CG2 4.25Å; Y143-T1057 HydrophobicContact CE2-CG2 4.17Å; W752-T1057 HydrophobicContact CZ2-CG2 4.38Å; T1039-T1057 HydrophobicContact CG2-CG2 3.96Å; W1040-T1057 CarbonylContact O-C 3.56Å; W1040-T1057 WeakPolarHBondContact O-CA 2.86Å; W1040-T1057 WeakPolarHBondContact O-CB 3.24Å; L1041-T1057 HydrophobicContact CD1-CG2 4.49Å |
| 1058 | Y | 98.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 154.5 | 165.5 | 76 | -85.3 | 0 | 0 | 0 | 110.4 | L976 M978 W986 F1002 H1003 E1005 M1032 W1040 L1042 I1060 | L976-Y1058 WeakPolarHBondContact O-CA 3.33Å; M978-Y1058 HydrophobicContact CE-CD2 3.91Å; M978-Y1058 HydrophobicContact SD-CD2 4.43Å; W986-Y1058 HydrophobicContact CH2-CG 4.44Å; F1002-Y1058 HydrophobicContact CD1-CE1 4.24Å; H1003-Y1058 PolarHBondContact O-OH 3.47Å; E1005-Y1058 VanDerWaalsContact CG-OH 3.28Å; E1005-Y1058 WeakPolarHBondContact CG-OH 3.47Å; M1032-Y1058 HydrophobicContact CE-CE2 4.4Å; W1040-Y1058 HydrophobicContact CB-CD1 3.91Å; W1040-Y1058 HydrophobicContact CB-CE1 3.34Å; W1040-Y1058 HydrophobicContact CB-CE2 4.13Å; W1040-Y1058 VanDerWaalsContact CB-CZ 3.47Å; W1040-Y1058 AromaticContact CD1-CE2 3.89Å; W1040-Y1058 AromaticContact CD1-CZ 3.88Å; W1040-Y1058 HydrophobicContact CG-CE1 4.32Å; W1040-Y1058 HydrophobicContact CG-CE2 4.39Å; W1040-Y1058 AromaticContact CG-CZ 3.96Å; W1040-Y1058 PolarHBondContact N-O 3.37Å; W1040-Y1058 WeakPolarHBondContact O-CD1 3.23Å; W1040-Y1058 PolarHBondContact O-N 3.27Å; L1042-Y1058 HydrophobicContact CB-CD1 4.11Å; L1042-Y1058 HydrophobicContact CD1-CD1 4.39Å; Y1058-I1060 HydrophobicContact CD2-CG1 4.17Å; Y1058-I1060 HydrophobicContact CE2-CD1 3.75Å; Y1058-I1060 HydrophobicContact CE2-CG1 3.81Å |
| 1059 | I | 98 | Very high | 81.1 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 24% | 0.236 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 122.2 | -171.5 | -56.9 | 173.4 | 0 | 0 | 0 | 110.1 | L976 V977 M978 G1038 T1039 R1061 | L976-I1059 PolarHBondContact O-N 3.45Å; V977-I1059 HydrophobicContact CG2-CB 4.36Å; V977-I1059 HydrophobicContact CG2-CD1 4.37Å; M978-I1059 PolarHBondContact N-O 3.34Å; G1038-I1059 WeakPolarHBondContact O-CA 3.5Å; T1039-I1059 HydrophobicContact CG2-CG1 4.27Å; I1059-R1061 HydrophobicContact CG2-CG 4.18Å |
| 1060 | I | 97.5 | Very high | 78.1 | Confident | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 116.3 | 167.7 | -58.4 | 173.9 | 0 | 0 | 0 | 108.4 | M978 E980 E1005 A1034 N1036 P1037 G1038 Y1058 | M978-I1060 HydrophobicContact CG-CB 4.42Å; M978-I1060 HydrophobicContact CG-CG1 3.79Å; M978-I1060 HydrophobicContact SD-CG1 4.05Å; E980-I1060 HydrophobicContact CB-CG2 4.32Å; E1005-I1060 HydrophobicContact CG-CD1 4Å; E1005-I1060 WeakPolarHBondContact OE1-CD1 3.28Å; A1034-I1060 HydrophobicContact CB-CD1 3.86Å; A1034-I1060 HydrophobicContact CB-CG1 4Å; A1034-I1060 HydrophobicContact CB-CG2 4.01Å; N1036-I1060 WeakPolarHBondContact O-CB 3.37Å; N1036-I1060 WeakPolarHBondContact O-CD1 3.41Å; P1037-I1060 CarbonylContact C-O 3.57Å; P1037-I1060 VanDerWaalsContact CA-O 3.26Å; P1037-I1060 WeakPolarHBondContact CA-O 3.48Å; G1038-I1060 PolarHBondContact N-O 2.96Å; G1038-I1060 PolarHBondContact O-N 3.39Å; Y1058-I1060 HydrophobicContact CD2-CG1 4.17Å; Y1058-I1060 HydrophobicContact CE2-CD1 3.75Å; Y1058-I1060 HydrophobicContact CE2-CG1 3.81Å |
| 1061 | R | 96.3 | Very high | 75.1 | Confident | 149 Ų | 149 | 61.6 Ų | 61.6 | 56% | 0.562 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131.9 | 176.5 | -64 | -176 | 179 | 174.9 | 2.7 | 110.9 | V977 M978 K979 E980 I1059 | V977-R1061 HydrophobicContact CG1-CG 4.29Å; M978-R1061 PolarHBondContact O-N 3.15Å; K979-R1061 WeakPolarHBondContact CA-O 3.38Å; E980-R1061 PolarHBondContact N-O 3.27Å; I1059-R1061 HydrophobicContact CG2-CG 4.18Å |
| 1062 | A | 90.9 | Very high | 72.1 | Confident | 61 Ų | 61 | 65.6 Ų | 65.6 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 143.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P1037 | P1037-A1062 HydrophobicContact CB-CB 3.94Å; P1037-A1062 HydrophobicContact CG-CB 3.94Å |
| 1063 | T | 81.1 | Confident | 69 | Low | 44 Ų | 44 | 73.8 Ų | 73.8 | 27% | 0.27 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 140.8 | 172.2 | 48.4 | 0 | 0 | 0 | 0 | 110.7 | E980 S1065 H1066 | E980-T1063 HydrophobicContact CB-CG2 4.24Å; E980-T1063 PolarHBondContact OE2-N 3.22Å; E980-T1063 PolarHBondContact OE2-OG1 3.37Å; T1063-S1065 PolarHBondContact O-N 3.27Å; T1063-H1066 PolarHBondContact O-N 3.42Å; T1063-H1066 VanDerWaalsContact O-N 3.15Å |
| 1064 | E | 63.2 | Low | 65.8 | Low | 175 Ų | 175 | 82.5 Ų | 82.5 | 82% | 0.818 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -54.5 | -15.8 | -172.3 | -73.5 | -177.3 | 167.3 | 0 | 0 | 115 | H1066 | E1064-H1066 PolarHBondContact O-N 3.46Š|
| 1065 | S | 54.2 | Low | 62.4 | Low | 96 Ų | 96 | 91.5 Ų | 91.5 | 67% | 0.671 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -67.3 | -7.2 | 176.1 | 49.6 | 0 | 0 | 0 | 0 | 115.5 | T1063 | T1063-S1065 PolarHBondContact O-N 3.27Š|
| 1066 | H | 43.7 | Very low | 59.2 | Low | 139 Ų | 139 | 97.8 Ų | 97.8 | 64% | 0.644 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -119.9 | 10.4 | 179.8 | -78.4 | -41.2 | 0 | 0 | 0 | 115.9 | T1063 E1064 P1068 | T1063-H1066 PolarHBondContact O-N 3.42Å; T1063-H1066 VanDerWaalsContact O-N 3.15Å; E1064-H1066 PolarHBondContact O-N 3.46Å; H1066-P1068 VanDerWaalsContact O-CD 3.23Å; H1066-P1068 WeakPolarHBondContact O-CD 3.47Å |
| 1067 | L | 39.4 | Very low | 55.7 | Low | 134 Ų | 134 | 102.4 Ų | 102.4 | 70% | 0.702 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -67.5 | 118.4 | 164.7 | -70.7 | 167.1 | 0 | 0 | 0 | 107.9 | A1069 | L1067-A1069 PolarHBondContact O-N 2.87Š|
| 1068 | P | 35 | Very low | 52.5 | Low | 119 Ų | 119 | 111.3 Ų | 111.3 | 77% | 0.773 | 62% | 0.623 | S | S | * | * | trans | -56.8 | 120.3 | 164.4 | 23.7 | -29.3 | 0 | 0 | 0 | 105.7 | H1066 A1070 | H1066-P1068 VanDerWaalsContact O-CD 3.23Å; H1066-P1068 WeakPolarHBondContact O-CD 3.47Å; P1068-A1070 PolarHBondContact O-N 3.02Å | ||
| 1069 | A | 33 | Very low | 49.4 | Very low | 96 Ų | 96 | 120.1 Ų | 120.1 | 79% | 0.793 | 66% | 0.662 | S | S | * | * | trans | -46.1 | 112.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | L1067 A1071 | L1067-A1069 PolarHBondContact O-N 2.87Å; A1069-A1071 PolarHBondContact O-N 2.98Å | ||
| 1070 | A | 35 | Very low | 46.1 | Very low | 94 Ų | 94 | 124.4 Ų | 124.4 | 78% | 0.777 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -51 | 118 | 172.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | P1068 | P1068-A1070 PolarHBondContact O-N 3.02Š|
| 1071 | A | 33 | Very low | 42.8 | Very low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 128.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | A1069 E1073 | A1069-A1071 PolarHBondContact O-N 2.98Å; A1071-E1073 PolarHBondContact O-N 3.01Å |
| 1072 | P | 30 | Very low | 39.9 | Very low | 117 Ų | 117 | 132 Ų | 132 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 119.4 | -173.5 | 23 | -31.7 | 0 | 0 | 0 | 108.6 | H1074 | P1072-H1074 PolarHBondContact O-N 3.01Š|
| 1073 | E | 31.5 | Very low | 36.9 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -49.3 | 113.6 | 167.3 | -75.3 | -176 | 153 | 0 | 0 | 108.4 | A1071 K1075 | A1071-E1073 PolarHBondContact O-N 3.01Å; E1073-K1075 PolarHBondContact O-N 2.81Å | ||
| 1074 | H | 28.8 | Very low | 34.3 | Very low | 183 Ų | 183 | 141.6 Ų | 141.6 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | -63.2 | 93 | 165.3 | -100.7 | -80.3 | 0 | 0 | 0 | 107.9 | P1072 V1076 | P1072-H1074 PolarHBondContact O-N 3.01Å; H1074-V1076 PolarHBondContact O-N 2.92Å | ||
| 1075 | K | 28 | Very low | 32.5 | Very low | 188 Ų | 188 | 139.2 Ų | 139.2 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -58.5 | 99.9 | 161.9 | -79.2 | -178.2 | 176.8 | 175.5 | 0 | 108.1 | E1073 S1077 | E1073-K1075 PolarHBondContact O-N 2.81Å; K1075-S1077 PolarHBondContact O-N 3.06Å | ||
| 1076 | V | 29 | Very low | 31.2 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -68.4 | 103 | 164.4 | 177.8 | 0 | 0 | 0 | 0 | 107 | H1074 F1078 | H1074-V1076 PolarHBondContact O-N 2.92Å; V1076-F1078 PolarHBondContact O-N 3.45Å | ||
| 1077 | S | 26.3 | Very low | 30.4 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | -69.3 | 124.2 | 172 | -176 | 0 | 0 | 0 | 0 | 109.8 | K1075 K1079 | K1075-S1077 PolarHBondContact O-N 3.06Å; S1077-K1079 PolarHBondContact O-N 2.82Å | ||
| 1078 | F | 31.3 | Very low | 29.8 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -66 | 71.5 | 172 | -121.8 | -91.9 | 0 | 0 | 0 | 110.6 | V1076 | V1076-F1078 PolarHBondContact O-N 3.45Š|
| 1079 | K | 31.2 | Very low | 29.4 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -159.6 | 45.2 | 172.9 | -120.1 | 179.8 | -168.9 | -176.5 | 0 | 114.3 | S1077 | S1077-K1079 PolarHBondContact O-N 2.82Š| ||
| 1080 | T | 29.4 | Very low | 29 | Very low | 137 Ų | 137 | 144.1 Ų | 144.1 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -154.5 | 63.9 | 156.7 | -35.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1081 | L | 29.6 | Very low | 28.6 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -102.3 | 84.9 | 161.6 | -126.4 | 140.5 | 0 | 0 | 0 | 106.4 | ||||
| 1082 | L | 33.6 | Very low | 28.4 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -175 | 94.2 | 163.6 | -100.5 | 158.3 | 0 | 0 | 0 | 106.6 | ||||
| 1083 | F | 27.9 | Very low | 28.4 | Very low | 211 Ų | 211 | 153.9 Ų | 153.9 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | 155 | 69.8 | 151.6 | -88 | -69.2 | 0 | 0 | 0 | 108.9 | ||||
| 1084 | A | 27.3 | Very low | 28.1 | Very low | 96 Ų | 96 | 154.3 Ų | 154.3 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -109 | 104.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1085 | S | 26.1 | Very low | 28.3 | Very low | 125 Ų | 125 | 156.2 Ų | 156.2 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | 177 | 105.8 | 151.1 | 27.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1086 | G | 26.8 | Very low | 28.7 | Very low | 67 Ų | 67 | 158.4 Ų | 158.4 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | 154.4 | 117 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1087 | F | 27.3 | Very low | 28.6 | Very low | 196 Ų | 196 | 159.6 Ų | 159.6 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 88.4 | 60.2 | 163.8 | -67.7 | -86.4 | 0 | 0 | 0 | 118.6 | ||||
| 1088 | S | 25.5 | Very low | 28.8 | Very low | 113 Ų | 113 | 162.8 Ų | 162.8 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -90.2 | 78.6 | 136.3 | 46.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1089 | L | 26 | Very low | 28.6 | Very low | 141 Ų | 141 | 160.7 Ų | 160.7 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | -171.4 | 130.6 | 160.7 | -104.4 | 134.3 | 0 | 0 | 0 | 110.6 | ||||
| 1090 | L | 26.6 | Very low | 28.5 | Very low | 169 Ų | 169 | 159.3 Ų | 159.3 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | S | Bend | trans | 71.8 | 106.9 | -173.2 | -60.5 | 116.6 | 0 | 0 | 0 | 113.8 | ||
| 1091 | A | 26.6 | Very low | 28.4 | Very low | 84 Ų | 84 | 160.7 Ų | 160.7 | 69% | 0.694 | 82% | 0.82 | S | S | * | * | cis | -142.8 | 119.2 | 45 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1092 | R | 28.9 | Very low | 28.3 | Very low | 191 Ų | 191 | 160.7 Ų | 160.7 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | trans | -111.3 | 82.6 | 160.9 | -165.7 | 174.6 | -157.4 | 179.2 | 10.4 | 105.5 | R1096 | R1092-R1096 VanDerWaalsContact CD-NH1 3.31Å; R1092-R1096 HydrophobicContact CG-CG 4.47Å | ||
| 1093 | R | 28 | Very low | 28 | Very low | 227 Ų | 227 | 161.4 Ų | 161.4 | 86% | 0.857 | 82% | 0.821 | S | S | * | * | trans | 171.3 | 98.5 | 165.9 | -100.9 | -177.9 | 179.1 | -167.7 | 0.1 | 103.7 | ||||
| 1094 | M | 26.2 | Very low | 28 | Very low | 184 Ų | 184 | 157.6 Ų | 157.6 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | S | Bend | cis | -127.5 | 119.1 | 43.5 | -72.1 | 164.8 | 70.1 | 0 | 0 | 111.8 | ||
| 1095 | Y | 33.5 | Very low | 28 | Very low | 223 Ų | 223 | 162.8 Ų | 162.8 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | trans | 40.2 | 100.5 | 160.5 | -72.8 | -87.4 | 0 | 0 | 0 | 120.2 | ||||
| 1096 | R | 34.9 | Very low | 28.2 | Very low | 233 Ų | 233 | 166.2 Ų | 166.2 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -83.1 | 0 | 177.2 | -74.4 | -175.7 | 177.3 | -179.8 | -1.6 | 112.6 | R1092 | R1092-R1096 VanDerWaalsContact CD-NH1 3.31Å; R1092-R1096 HydrophobicContact CG-CG 4.47Å |
Retrieved 1,096 of 1,096 residues in 1874.4 ms
(Link to these results)