| 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 | 88.3 | Confident | 95.7 | Very high | 133 Ų | 133 | 66.9 Ų | 66.9 | 66% | 0.655 | 36% | 0.357 | S | S | * | . | 0 | 138.1 | 0 | -71.3 | -63.3 | 150.4 | 0 | 0 | 108.4 | H30 Y36 P37 | M1-H30 PolarHBondContact O-CD2 2.73Å; M1-Y36 HydrophobicContact CE-CD1 4.19Å; M1-Y36 HydrophobicContact SD-CD1 3.62Å; M1-Y36 HydrophobicContact SD-CE1 3.4Å; M1-Y36 WeakPolarHBondContact SD-CE1 3.42Å; M1-P37 HydrophobicContact CE-CG 4.38Å | |||
| 2 | G | 93.8 | Very high | 95.9 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 152.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R28 Y29 Y36 | G2-R28 WeakPolarHBondContact O-CD 3.21Å; G2-R28 PolarHBondContact O-NH1 3.21Å; G2-R28 VanDerWaalsContact O-NH1 3.09Å; G2-Y29 CarbonylContact C-O 3.56Å; G2-Y29 VanDerWaalsContact CA-O 3.28Å; G2-Y29 WeakPolarHBondContact CA-O 3.35Å; G2-Y36 PolarHBondContact N-OH 2.81Å |
| 3 | T | 97.1 | Very high | 96 | Very high | 64 Ų | 64 | 62.1 Ų | 62.1 | 39% | 0.393 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 134.4 | 170 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | R28 Y29 | T3-R28 CarbonylContact O-C 3.56Å; T3-R28 VanDerWaalsContact O-CA 3.25Å; T3-R28 WeakPolarHBondContact O-CA 3.09Å; T3-Y29 HydrophobicContact CG2-CE1 3.74Å; T3-Y29 WeakPolarHBondContact CG2-OH 3.27Å; T3-Y29 PolarHBondContact N-O 2.86Å; T3-Y29 WeakPolarHBondContact O-CD1 3.39Å; T3-Y29 PolarHBondContact O-N 2.85Å |
| 4 | A | 97.8 | Very high | 96.1 | Very high | 61 Ų | 61 | 64 Ų | 64 | 50% | 0.504 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 141.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 5 | S | 97.1 | Very high | 96.1 | Very high | 12 Ų | 12 | 63.7 Ų | 63.7 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 143.9 | 168 | 151.4 | 0 | 0 | 0 | 0 | 109.5 | Y7 T26 E27 Y197 | S5-Y7 PolarHBondContact OG-N 2.67Å; S5-T26 WeakPolarHBondContact O-CA 3.5Å; S5-E27 VanDerWaalsContact CB-OE1 3.26Å; S5-E27 WeakPolarHBondContact CB-OE1 3.44Å; S5-E27 PolarHBondContact N-O 3.4Å; S5-E27 PolarHBondContact O-N 3.37Å; S5-E27 PolarHBondContact OG-OE1 3.07Å; S5-Y197 VanDerWaalsContact CB-CE1 3.42Å; S5-Y197 WeakPolarHBondContact OG-CE1 3.49Å |
| 6 | D | 96.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 61.1 Ų | 61.1 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | trans | -123.3 | 20.2 | 172.8 | 70.5 | -22.7 | 0 | 0 | 0 | 112.5 | G8 R9 T26 | D6-G8 PolarHBondContact O-N 2.8Å; D6-G8 VanDerWaalsContact O-N 3.12Å; D6-R9 HydrophobicContact CB-CG 4.18Å; D6-R9 VanDerWaalsContact O-CB 3.27Å; D6-R9 WeakPolarHBondContact O-CB 3.42Å; D6-R9 WeakPolarHBondContact O-CG 3.33Å; D6-R9 PolarHBondContact O-N 3.45Å; D6-R9 IonicContact OD2-CZ 2.61Å; D6-R9 IonicContact OD2-NE 2.8Å; D6-R9 IonicContact OD2-NH1 2.63Å; D6-R9 PolarHBondContact OD2-NH1 2.88Å; D6-T26 HydrophobicContact CB-CG2 4.17Å | ||
| 7 | Y | 95.8 | Very high | 96.1 | Very high | 91 Ų | 91 | 62.1 Ų | 62.1 | 36% | 0.357 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -51.8 | -37 | 179.1 | -176 | -96.5 | 0 | 0 | 0 | 112.6 | S5 R9 S10 F11 V55 W56 | S5-Y7 PolarHBondContact OG-N 2.67Å; Y7-R9 PolarHBondContact O-N 2.96Å; Y7-S10 PolarHBondContact O-N 2.91Å; Y7-S10 PolarHBondContact O-OG 3Å; Y7-F11 HydrophobicContact CD1-CE2 4.12Å; Y7-F11 AromaticContact CE1-CE2 3.68Å; Y7-F11 HydrophobicContact CE1-CE2 3.68Å; Y7-F11 HydrophobicContact CE1-CZ 4.19Å; Y7-V55 HydrophobicContact CD1-CG2 4.18Å; Y7-V55 WeakPolarHBondContact CE1-O 3.33Å; Y7-W56 HydrophobicContact CD1-CE3 4.14Å; Y7-W56 HydrophobicContact CD2-CE3 4.41Å; Y7-W56 HydrophobicContact CD2-CZ3 4.29Å; Y7-W56 AromaticContact CE1-CE3 3.78Å; Y7-W56 HydrophobicContact CE1-CE3 3.78Å; Y7-W56 HydrophobicContact CE1-CZ3 4.31Å; Y7-W56 HydrophobicContact CE2-CE3 4.07Å; Y7-W56 AromaticContact CE2-CZ3 3.78Å; Y7-W56 HydrophobicContact CE2-CZ3 3.78Å; Y7-W56 HydrophobicContact CG-CE3 4.45Å; Y7-W56 AromaticContact CZ-CE3 3.74Å; Y7-W56 AromaticContact CZ-CZ3 3.8Å |
| 8 | G | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -60.4 | -17.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D6 S10 F11 Q25 | D6-G8 PolarHBondContact O-N 2.8Å; D6-G8 VanDerWaalsContact O-N 3.12Å; G8-S10 PolarHBondContact O-N 3.03Å; G8-F11 PolarHBondContact O-N 2.97Å; G8-Q25 VanDerWaalsContact CA-O 3.29Å; G8-Q25 WeakPolarHBondContact CA-O 3.35Å; G8-Q25 PolarHBondContact N-O 2.84Å; G8-Q25 WeakPolarHBondContact O-CG 3.49Å |
| 9 | R | 97 | Very high | 96.1 | Very high | 135 Ų | 135 | 64.9 Ų | 64.9 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -59.3 | -20.1 | 178.6 | -74.1 | -177.9 | 172.8 | 169 | -7.8 | 114 | D6 Y7 F11 Q25 | D6-R9 HydrophobicContact CB-CG 4.18Å; D6-R9 VanDerWaalsContact O-CB 3.27Å; D6-R9 WeakPolarHBondContact O-CB 3.42Å; D6-R9 WeakPolarHBondContact O-CG 3.33Å; D6-R9 PolarHBondContact O-N 3.45Å; D6-R9 IonicContact OD2-CZ 2.61Å; D6-R9 IonicContact OD2-NE 2.8Å; D6-R9 IonicContact OD2-NH1 2.63Å; D6-R9 PolarHBondContact OD2-NH1 2.88Å; Y7-R9 PolarHBondContact O-N 2.96Å; R9-F11 PolarHBondContact O-N 2.84Å; R9-Q25 HydrophobicContact CG-CB 4.05Å |
| 10 | S | 95.4 | Very high | 96.2 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 68% | 0.678 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -73.2 | -10.8 | 176.6 | -52.5 | 0 | 0 | 0 | 0 | 113.6 | Y7 G8 | Y7-S10 PolarHBondContact O-N 2.91Å; Y7-S10 PolarHBondContact O-OG 3Å; G8-S10 PolarHBondContact O-N 3.03Å |
| 11 | F | 96.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 63.7 Ų | 63.7 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -121.4 | 142.3 | -173.7 | -53.1 | -76.9 | 0 | 0 | 0 | 112.1 | Y7 G8 R9 Q25 V55 F87 A88 | Y7-F11 HydrophobicContact CD1-CE2 4.12Å; Y7-F11 AromaticContact CE1-CE2 3.68Å; Y7-F11 HydrophobicContact CE1-CE2 3.68Å; Y7-F11 HydrophobicContact CE1-CZ 4.19Å; G8-F11 PolarHBondContact O-N 2.97Å; R9-F11 PolarHBondContact O-N 2.84Å; F11-Q25 PolarHBondContact O-NE2 2.99Å; F11-V55 HydrophobicContact CD2-CB 4.17Å; F11-V55 HydrophobicContact CD2-CG1 4.42Å; F11-V55 HydrophobicContact CE2-CB 4.39Å; F11-F87 AromaticContact CD1-CE1 3.66Å; F11-F87 HydrophobicContact CD1-CE1 3.66Å; F11-F87 HydrophobicContact CD1-CZ 4.09Å; F11-F87 HydrophobicContact CD2-CZ 4.4Å; F11-F87 AromaticContact CE1-CE1 3.59Å; F11-F87 HydrophobicContact CE1-CE1 3.59Å; F11-F87 AromaticContact CE1-CZ 3.67Å; F11-F87 HydrophobicContact CE1-CZ 3.67Å; F11-F87 HydrophobicContact CE2-CZ 4.02Å; F11-F87 HydrophobicContact CG-CE1 4.16Å; F11-F87 HydrophobicContact CG-CZ 4.43Å; F11-F87 HydrophobicContact CZ-CE1 4.05Å; F11-F87 AromaticContact CZ-CZ 3.63Å; F11-F87 HydrophobicContact CZ-CZ 3.63Å; F11-A88 HydrophobicContact CB-CB 4Å; F11-A88 HydrophobicContact CG-CB 4.46Å |
| 12 | A | 97.6 | Very high | 96.8 | Very high | 67 Ų | 67 | 60.9 Ų | 60.9 | 55% | 0.554 | 35% | 0.354 | S | S | * | . | trans | -68.9 | 146.7 | 158.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 13 | I | 97.8 | Very high | 97 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | trans | -106.4 | 121 | -178.3 | -53.4 | -63.9 | 0 | 0 | 0 | 109.3 | V16 H21 Y24 Q25 V55 A88 A90 | I13-V16 HydrophobicContact CB-CG2 3.73Å; I13-V16 HydrophobicContact CG2-CG2 3.65Å; I13-V16 VanDerWaalsContact O-CG2 3.29Å; I13-V16 WeakPolarHBondContact O-CG2 3.46Å; I13-H21 HydrophobicContact CG1-CB 4.47Å; I13-H21 PolarHBondContact O-NE2 2.91Å; I13-Y24 HydrophobicContact CG2-CG 4.16Å; I13-Q25 HydrophobicContact CD1-CG 4.09Å; I13-Q25 HydrophobicContact CG1-CG 3.83Å; I13-V55 HydrophobicContact CD1-CG1 4.29Å; I13-A88 CarbonylContact C-O 3.51Å; I13-A88 WeakPolarHBondContact CA-O 3.19Å; I13-A90 HydrophobicContact CG2-CB 4.03Å | ||
| 14 | N | 97.2 | Very high | 97 | Very high | 89 Ų | 89 | 60.7 Ų | 60.7 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -68 | 151.9 | 177.6 | -58.3 | -45.3 | 0 | 0 | 0 | 111.2 | V16 A88 T89 A90 | N14-V16 VanDerWaalsContact C-N 3.32Å; N14-V16 PolarHBondContact O-N 2.97Å; N14-A88 PolarHBondContact N-O 2.78Å; N14-A88 PolarHBondContact ND2-O 3.25Å; N14-T89 HydrophobicContact CB-CG2 3.95Å; N14-T89 PolarHBondContact ND2-OG1 2.7Å; N14-A90 WeakPolarHBondContact O-CB 3.43Å; N14-A90 PolarHBondContact O-N 2.8Å |
| 15 | R | 96 | Very high | 97.1 | Very high | 59 Ų | 59 | 59.1 Ų | 59.1 | 22% | 0.223 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 12.4 | 179.4 | -51.4 | 170.7 | 67.5 | -161.9 | 2.3 | 116.1 | T89 A90 L148 P149 | R15-T89 VanDerWaalsContact CD-CG2 3.48Å; R15-T89 HydrophobicContact CG-CG2 3.94Å; R15-A90 HydrophobicContact CB-CB 4.44Å; R15-A90 PolarHBondContact NH1-O 2.91Å; R15-L148 WeakPolarHBondContact O-CD2 3.45Å; R15-P149 VanDerWaalsContact CZ-O 3.26Å; R15-P149 PolarHBondContact NE-O 2.95Å; R15-P149 PolarHBondContact NH2-O 2.83Å; R15-P149 WeakPolarHBondContact O-CD 3.29Å |
| 16 | V | 96.5 | Very high | 97.1 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 14% | 0.139 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -135.9 | 151.2 | 175.2 | -74.7 | 0 | 0 | 0 | 0 | 111 | I13 N14 D20 Y24 A90 L148 | I13-V16 HydrophobicContact CB-CG2 3.73Å; I13-V16 HydrophobicContact CG2-CG2 3.65Å; I13-V16 VanDerWaalsContact O-CG2 3.29Å; I13-V16 WeakPolarHBondContact O-CG2 3.46Å; N14-V16 VanDerWaalsContact C-N 3.32Å; N14-V16 PolarHBondContact O-N 2.97Å; V16-D20 HydrophobicContact CB-CB 4.28Å; V16-Y24 HydrophobicContact CG1-CD2 4.14Å; V16-Y24 HydrophobicContact CG1-CE2 3.6Å; V16-Y24 HydrophobicContact CG2-CD2 4.32Å; V16-A90 HydrophobicContact CG1-CB 3.81Å; V16-A90 HydrophobicContact CG2-CB 4.44Å; V16-L148 HydrophobicContact CG1-CD2 3.49Å; V16-L148 VanDerWaalsContact CG1-CD2 3.49Å |
| 17 | P | 95.6 | Very high | 97.2 | Very high | 78 Ų | 78 | 57.2 Ų | 57.2 | 51% | 0.506 | 32% | 0.321 | S | S | . | . | trans | -66.5 | 156.4 | 169.9 | 30.1 | -34.8 | 0 | 0 | 0 | 110.6 | A19 D20 H21 | P17-A19 PolarHBondContact O-N 3.48Å; P17-A19 VanDerWaalsContact O-N 3.12Å; P17-D20 HydrophobicContact CG-CB 4.15Å; P17-D20 WeakPolarHBondContact CG-OD2 3.43Å; P17-D20 PolarHBondContact O-N 2.53Å; P17-H21 PolarHBondContact O-CD2 2.93Å; P17-H21 PolarHBondContact O-N 3.26Å | ||
| 18 | S | 95.9 | Very high | 97.3 | Very high | 98 Ų | 98 | 58.4 Ų | 58.4 | 69% | 0.685 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -56.5 | -31.7 | -178.5 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | D20 H21 | S18-D20 PolarHBondContact O-N 2.88Å; S18-H21 WeakPolarHBondContact O-CB 3.3Å; S18-H21 PolarHBondContact O-N 2.98Å |
| 19 | A | 96.9 | Very high | 97.3 | Very high | 79 Ų | 79 | 58.9 Ų | 58.9 | 65% | 0.653 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -62.1 | -28.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P17 | P17-A19 PolarHBondContact O-N 3.48Å; P17-A19 VanDerWaalsContact O-N 3.12Å |
| 20 | D | 97.1 | Very high | 97.4 | Very high | 69 Ų | 69 | 55.1 Ų | 55.1 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -97.9 | -3.9 | -176.6 | -65.8 | -14 | 0 | 0 | 0 | 112.5 | V16 P17 S18 I22 I23 | V16-D20 HydrophobicContact CB-CB 4.28Å; P17-D20 HydrophobicContact CG-CB 4.15Å; P17-D20 WeakPolarHBondContact CG-OD2 3.43Å; P17-D20 PolarHBondContact O-N 2.53Å; S18-D20 PolarHBondContact O-N 2.88Å; D20-I22 PolarHBondContact O-N 3.46Å; D20-I22 VanDerWaalsContact O-N 3.15Å; D20-I23 HydrophobicContact CB-CD1 4.31Å; D20-I23 WeakPolarHBondContact O-CB 3.4Å; D20-I23 PolarHBondContact O-N 2.81Å; D20-I23 VanDerWaalsContact O-N 3.1Å |
| 21 | H | 98.2 | Very high | 97.4 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -50.7 | -43.4 | 179.9 | -76.6 | -173.5 | 0 | 0 | 0 | 111.8 | I13 P17 S18 I23 Y24 Q25 | I13-H21 HydrophobicContact CG1-CB 4.47Å; I13-H21 PolarHBondContact O-NE2 2.91Å; P17-H21 PolarHBondContact O-CD2 2.93Å; P17-H21 PolarHBondContact O-N 3.26Å; S18-H21 WeakPolarHBondContact O-CB 3.3Å; S18-H21 PolarHBondContact O-N 2.98Å; H21-I23 PolarHBondContact O-N 2.84Å; H21-Y24 CarbonylContact O-C 3.53Å; H21-Y24 PolarHBondContact O-N 2.83Å; H21-Q25 HydrophobicContact CB-CG 4.3Å; H21-Q25 VanDerWaalsContact O-CG 3.26Å; H21-Q25 WeakPolarHBondContact O-CG 3.45Å; H21-Q25 PolarHBondContact O-N 2.88Å |
| 22 | I | 98 | Very high | 97.4 | Very high | 75 Ų | 75 | 57 Ų | 57 | 39% | 0.385 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.2 | -30.7 | -174.8 | -166.7 | 61.6 | 0 | 0 | 0 | 113.3 | D20 Y24 Q25 T26 | D20-I22 PolarHBondContact O-N 3.46Å; D20-I22 VanDerWaalsContact O-N 3.15Å; I22-Y24 PolarHBondContact O-N 2.85Å; I22-Q25 PolarHBondContact O-N 3.01Å; I22-T26 HydrophobicContact CD1-CG2 3.87Å; I22-T26 HydrophobicContact CG1-CG2 4.5Å; I22-T26 PolarHBondContact O-N 3.19Å; I22-T26 PolarHBondContact O-OG1 3.22Å |
| 23 | I | 98.1 | Very high | 97.4 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -35.1 | 177.8 | -61.3 | 173 | 0 | 0 | 0 | 110.3 | D20 H21 K51 N133 A134 | D20-I23 HydrophobicContact CB-CD1 4.31Å; D20-I23 WeakPolarHBondContact O-CB 3.4Å; D20-I23 PolarHBondContact O-N 2.81Å; D20-I23 VanDerWaalsContact O-N 3.1Å; H21-I23 PolarHBondContact O-N 2.84Å; I23-K51 HydrophobicContact CG2-CD 3.69Å; I23-N133 WeakPolarHBondContact O-CB 3.26Å; I23-A134 HydrophobicContact CG2-CB 3.97Å |
| 24 | Y | 98.5 | Very high | 97.4 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -104.8 | -6.6 | -177.5 | -60.4 | -91.4 | 0 | 0 | 0 | 113.3 | I13 V16 H21 I22 K51 F52 S53 A90 D92 N133 | I13-Y24 HydrophobicContact CG2-CG 4.16Å; V16-Y24 HydrophobicContact CG1-CD2 4.14Å; V16-Y24 HydrophobicContact CG1-CE2 3.6Å; V16-Y24 HydrophobicContact CG2-CD2 4.32Å; H21-Y24 CarbonylContact O-C 3.53Å; H21-Y24 PolarHBondContact O-N 2.83Å; I22-Y24 PolarHBondContact O-N 2.85Å; Y24-K51 HydrophobicContact CD1-CB 4.47Å; Y24-K51 HydrophobicContact CE1-CB 3.84Å; Y24-K51 HydrophobicContact CE1-CD 4.44Å; Y24-K51 HydrophobicContact CE1-CG 4.5Å; Y24-K51 PolarHBondContact OH-NZ 2.82Å; Y24-F52 WeakPolarHBondContact CD1-O 3.34Å; Y24-S53 PolarHBondContact O-OG 3.08Å; Y24-A90 HydrophobicContact CD1-CB 3.78Å; Y24-A90 HydrophobicContact CD2-CB 4.35Å; Y24-A90 HydrophobicContact CE1-CB 3.57Å; Y24-A90 HydrophobicContact CE2-CB 4.19Å; Y24-A90 HydrophobicContact CG-CB 4.16Å; Y24-D92 PolarHBondContact OH-OD1 3.35Å; Y24-N133 PolarHBondContact O-ND2 2.91Å |
| 25 | Q | 98.4 | Very high | 97.4 | Very high | 27 Ų | 27 | 55.3 Ų | 55.3 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -88.7 | -22.4 | 175.2 | -72.1 | 179 | -32 | 0 | 0 | 113.1 | G8 R9 F11 I13 H21 I22 | G8-Q25 VanDerWaalsContact CA-O 3.29Å; G8-Q25 WeakPolarHBondContact CA-O 3.35Å; G8-Q25 PolarHBondContact N-O 2.84Å; G8-Q25 WeakPolarHBondContact O-CG 3.49Å; R9-Q25 HydrophobicContact CG-CB 4.05Å; F11-Q25 PolarHBondContact O-NE2 2.99Å; I13-Q25 HydrophobicContact CD1-CG 4.09Å; I13-Q25 HydrophobicContact CG1-CG 3.83Å; H21-Q25 HydrophobicContact CB-CG 4.3Å; H21-Q25 VanDerWaalsContact O-CG 3.26Å; H21-Q25 WeakPolarHBondContact O-CG 3.45Å; H21-Q25 PolarHBondContact O-N 2.88Å; I22-Q25 PolarHBondContact O-N 3.01Å |
| 26 | T | 98.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | trans | -105.8 | 146 | 176.7 | 59.3 | 0 | 0 | 0 | 0 | 110.4 | S5 D6 I22 N133 | S5-T26 WeakPolarHBondContact O-CA 3.5Å; D6-T26 HydrophobicContact CB-CG2 4.17Å; I22-T26 HydrophobicContact CD1-CG2 3.87Å; I22-T26 HydrophobicContact CG1-CG2 4.5Å; I22-T26 PolarHBondContact O-N 3.19Å; I22-T26 PolarHBondContact O-OG1 3.22Å; T26-N133 WeakPolarHBondContact O-CB 3.43Å; T26-N133 PolarHBondContact O-ND2 3.42Å | ||
| 27 | E | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 167.2 | -175.5 | 71.8 | -169.5 | 171.2 | 0 | 0 | 112.7 | S5 K131 I132 Y197 | S5-E27 VanDerWaalsContact CB-OE1 3.26Å; S5-E27 WeakPolarHBondContact CB-OE1 3.44Å; S5-E27 PolarHBondContact N-O 3.4Å; S5-E27 PolarHBondContact O-N 3.37Å; S5-E27 PolarHBondContact OG-OE1 3.07Å; E27-K131 WeakPolarHBondContact OE2-CD 3.3Å; E27-K131 WeakPolarHBondContact OE2-CE 3.36Å; E27-K131 IonicContact OE2-NZ 2.7Å; E27-K131 PolarHBondContact OE2-NZ 2.81Å; E27-I132 CarbonylContact C-O 3.42Å; E27-I132 VanDerWaalsContact CA-O 3.3Å; E27-I132 WeakPolarHBondContact CA-O 2.97Å; E27-Y197 PolarHBondContact OE1-OH 2.75Å |
| 28 | R | 98.4 | Very high | 97.6 | Very high | 117 Ų | 117 | 53.6 Ų | 53.6 | 44% | 0.442 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.3 | 164.4 | -65.1 | -76.4 | -179.8 | 170 | -3.2 | 107.9 | G2 T3 Y36 K131 I132 | G2-R28 WeakPolarHBondContact O-CD 3.21Å; G2-R28 PolarHBondContact O-NH1 3.21Å; G2-R28 VanDerWaalsContact O-NH1 3.09Å; T3-R28 CarbonylContact O-C 3.56Å; T3-R28 VanDerWaalsContact O-CA 3.25Å; T3-R28 WeakPolarHBondContact O-CA 3.09Å; R28-Y36 WeakPolarHBondContact CB-OH 3.34Å; R28-Y36 VanDerWaalsContact CG-OH 3.25Å; R28-Y36 WeakPolarHBondContact CG-OH 3.47Å; R28-K131 CarbonylContact O-C 3.53Å; R28-K131 WeakPolarHBondContact O-CA 3.09Å; R28-I132 HydrophobicContact CB-CG2 4Å; R28-I132 PolarHBondContact N-O 3.43Å; R28-I132 PolarHBondContact O-N 2.9Å |
| 29 | Y | 97.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 168.7 | 174.6 | 76.3 | -83.4 | 0 | 0 | 0 | 110.2 | G2 T3 N129 P130 Y197 | G2-Y29 CarbonylContact C-O 3.56Å; G2-Y29 VanDerWaalsContact CA-O 3.28Å; G2-Y29 WeakPolarHBondContact CA-O 3.35Å; T3-Y29 HydrophobicContact CG2-CE1 3.74Å; T3-Y29 WeakPolarHBondContact CG2-OH 3.27Å; T3-Y29 PolarHBondContact N-O 2.86Å; T3-Y29 WeakPolarHBondContact O-CD1 3.39Å; T3-Y29 PolarHBondContact O-N 2.85Å; Y29-N129 HydrophobicContact CD2-CB 4.43Å; Y29-P130 VanDerWaalsContact CA-O 3.24Å; Y29-P130 WeakPolarHBondContact CA-O 3.33Å; Y29-P130 WeakPolarHBondContact CB-O 3.4Å; Y29-Y197 HydrophobicContact CD1-CD2 4.12Å; Y29-Y197 AromaticContact CD1-CE2 3.42Å; Y29-Y197 HydrophobicContact CD1-CE2 3.42Å; Y29-Y197 VanDerWaalsContact CD1-CE2 3.42Å; Y29-Y197 AromaticContact CD1-CZ 3.65Å; Y29-Y197 HydrophobicContact CD2-CD2 4.36Å; Y29-Y197 AromaticContact CD2-CE2 3.75Å; Y29-Y197 HydrophobicContact CD2-CE2 3.75Å; Y29-Y197 HydrophobicContact CE1-CD1 4.33Å; Y29-Y197 AromaticContact CE1-CD2 3.29Å; Y29-Y197 HydrophobicContact CE1-CD2 3.29Å; Y29-Y197 HydrophobicContact CE1-CE1 4.2Å; Y29-Y197 AromaticContact CE1-CE2 3.07Å; Y29-Y197 HydrophobicContact CE1-CE2 3.07Å; Y29-Y197 AromaticContact CE1-CG 3.89Å; Y29-Y197 HydrophobicContact CE1-CG 3.89Å; Y29-Y197 AromaticContact CE1-CZ 3.57Å; Y29-Y197 AromaticContact CE2-CD2 3.6Å; Y29-Y197 HydrophobicContact CE2-CD2 3.6Å; Y29-Y197 AromaticContact CE2-CE2 3.45Å; Y29-Y197 HydrophobicContact CE2-CE2 3.45Å; Y29-Y197 VanDerWaalsContact CE2-CE2 3.45Å; Y29-Y197 AromaticContact CG-CE2 3.76Å; Y29-Y197 HydrophobicContact CG-CE2 3.76Å; Y29-Y197 AromaticContact CZ-CD2 2.98Å; Y29-Y197 AromaticContact CZ-CE2 3.11Å; Y29-Y197 AromaticContact CZ-CG 3.85Å; Y29-Y197 WeakPolarHBondContact OH-CD2 3.49Å |
| 30 | H | 97.4 | Very high | 97.2 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 26% | 0.264 | 27% | 0.266 | S | S | . | . | trans | -151.8 | 152.5 | 172.3 | -161.2 | -97 | 0 | 0 | 0 | 111.9 | M1 E32 F34 N129 P130 | M1-H30 PolarHBondContact O-CD2 2.73Å; H30-E32 WeakPolarHBondContact CB-O 3.18Å; H30-E32 PolarHBondContact ND1-N 3.47Å; H30-E32 VanDerWaalsContact ND1-N 3.16Å; H30-E32 PolarHBondContact ND1-O 2.9Å; H30-E32 VanDerWaalsContact ND1-O 3.09Å; H30-E32 PolarHBondContact O-N 3.15Å; H30-F34 HydrophobicContact CB-CB 4.01Å; H30-F34 HydrophobicContact CB-CD1 3.35Å; H30-F34 HydrophobicContact CB-CE1 3.97Å; H30-F34 HydrophobicContact CB-CG 3.87Å; H30-N129 WeakPolarHBondContact O-CB 3.4Å; H30-N129 VanDerWaalsContact O-CG 3.29Å; H30-N129 PolarHBondContact O-OD1 2.71Å; H30-P130 PolarHBondContact N-O 2.6Å; H30-P130 WeakPolarHBondContact O-CD 3.44Å | ||
| 31 | N | 95.9 | Very high | 96.7 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 36% | 0.364 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -75.7 | -7.7 | 179.7 | -73.3 | -34 | 0 | 0 | 0 | 114 | K124 N129 | N31-K124 WeakPolarHBondContact O-CD 3.34Å; N31-K124 WeakPolarHBondContact O-CE 3.41Å; N31-K124 PolarHBondContact O-NZ 2.77Å; N31-N129 WeakPolarHBondContact CA-OD1 3.25Å; N31-N129 PolarHBondContact OD1-ND2 3.23Å |
| 32 | E | 97 | Very high | 96.6 | Very high | 123 Ų | 123 | 55 Ų | 55 | 58% | 0.575 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -143 | -177.2 | -179.3 | -57.4 | -60.7 | 160.3 | 0 | 0 | 107.6 | H30 | H30-E32 WeakPolarHBondContact CB-O 3.18Å; H30-E32 PolarHBondContact ND1-N 3.47Å; H30-E32 VanDerWaalsContact ND1-N 3.16Å; H30-E32 PolarHBondContact ND1-O 2.9Å; H30-E32 VanDerWaalsContact ND1-O 3.09Å; H30-E32 PolarHBondContact O-N 3.15Å |
| 33 | D | 97.6 | Very high | 96.5 | Very high | 84 Ų | 84 | 55 Ų | 55 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | trans | -55.7 | 146 | 173.1 | -59.6 | -8 | 0 | 0 | 0 | 112 | F122 I123 K124 | D33-F122 WeakPolarHBondContact CA-O 3.41Å; D33-I123 HydrophobicContact CB-CD1 4.43Å; D33-I123 WeakPolarHBondContact OD1-CA 3.2Å; D33-K124 WeakPolarHBondContact OD1-CB 3.14Å; D33-K124 PolarHBondContact OD1-N 3.09Å | ||
| 34 | F | 98.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 153 | 171.4 | 70.2 | -81.1 | 0 | 0 | 0 | 112 | H30 Y36 F122 P130 I132 | H30-F34 HydrophobicContact CB-CB 4.01Å; H30-F34 HydrophobicContact CB-CD1 3.35Å; H30-F34 HydrophobicContact CB-CE1 3.97Å; H30-F34 HydrophobicContact CB-CG 3.87Å; F34-Y36 HydrophobicContact CD2-CD2 4.29Å; F34-Y36 AromaticContact CD2-CE2 3.83Å; F34-Y36 HydrophobicContact CD2-CE2 3.83Å; F34-Y36 HydrophobicContact CE2-CD2 4.2Å; F34-Y36 AromaticContact CE2-CE2 3.62Å; F34-Y36 HydrophobicContact CE2-CE2 3.62Å; F34-F122 HydrophobicContact CD1-CB 3.94Å; F34-F122 HydrophobicContact CD2-CB 4.5Å; F34-F122 AromaticContact CD2-CD2 3.97Å; F34-F122 HydrophobicContact CD2-CD2 3.97Å; F34-F122 HydrophobicContact CE1-CB 3.59Å; F34-F122 HydrophobicContact CE1-CD2 4.45Å; F34-F122 HydrophobicContact CE1-CG 4.11Å; F34-F122 HydrophobicContact CE2-CB 4.11Å; F34-F122 AromaticContact CE2-CD2 3.42Å; F34-F122 HydrophobicContact CE2-CD2 3.42Å; F34-F122 VanDerWaalsContact CE2-CD2 3.42Å; F34-F122 HydrophobicContact CE2-CE2 4.06Å; F34-F122 AromaticContact CE2-CG 3.86Å; F34-F122 HydrophobicContact CE2-CG 3.86Å; F34-F122 HydrophobicContact CG-CB 4.43Å; F34-F122 HydrophobicContact CZ-CB 3.67Å; F34-F122 HydrophobicContact CZ-CD1 4.35Å; F34-F122 AromaticContact CZ-CD2 3.74Å; F34-F122 HydrophobicContact CZ-CD2 3.74Å; F34-F122 AromaticContact CZ-CG 3.65Å; F34-F122 HydrophobicContact CZ-CG 3.65Å; F34-F122 PolarHBondContact N-O 2.97Å; F34-F122 VanDerWaalsContact N-O 3.1Å; F34-F122 PolarHBondContact O-N 2.78Å; F34-P130 HydrophobicContact CD1-CB 4.35Å; F34-P130 HydrophobicContact CD1-CG 3.89Å; F34-P130 HydrophobicContact CE1-CB 3.67Å; F34-P130 HydrophobicContact CE1-CG 3.65Å; F34-P130 WeakPolarHBondContact CE1-O 3.46Å; F34-I132 HydrophobicContact CE2-CG2 3.99Å; F34-I132 HydrophobicContact CZ-CG2 4.17Å |
| 35 | S | 97.8 | Very high | 96.4 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 154.9 | -175.4 | -48.5 | 0 | 0 | 0 | 0 | 112.4 | V120 D121 | S35-V120 VanDerWaalsContact CA-O 3.31Å; S35-V120 WeakPolarHBondContact CA-O 3.24Å; S35-D121 WeakPolarHBondContact CB-OD1 3.4Å; S35-D121 PolarHBondContact OG-OD1 3.09Å |
| 36 | Y | 97.6 | Very high | 96.4 | Very high | 44 Ų | 44 | 56.7 Ų | 56.7 | 17% | 0.173 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.3 | 169.5 | -75.1 | -74.7 | 0 | 0 | 0 | 110.5 | M1 G2 R28 F34 T119 V120 F122 I132 I135 | M1-Y36 HydrophobicContact CE-CD1 4.19Å; M1-Y36 HydrophobicContact SD-CD1 3.62Å; M1-Y36 HydrophobicContact SD-CE1 3.4Å; M1-Y36 WeakPolarHBondContact SD-CE1 3.42Å; G2-Y36 PolarHBondContact N-OH 2.81Å; R28-Y36 WeakPolarHBondContact CB-OH 3.34Å; R28-Y36 VanDerWaalsContact CG-OH 3.25Å; R28-Y36 WeakPolarHBondContact CG-OH 3.47Å; F34-Y36 HydrophobicContact CD2-CD2 4.29Å; F34-Y36 AromaticContact CD2-CE2 3.83Å; F34-Y36 HydrophobicContact CD2-CE2 3.83Å; F34-Y36 HydrophobicContact CE2-CD2 4.2Å; F34-Y36 AromaticContact CE2-CE2 3.62Å; F34-Y36 HydrophobicContact CE2-CE2 3.62Å; Y36-T119 WeakPolarHBondContact O-CA 3.42Å; Y36-V120 PolarHBondContact N-O 3.25Å; Y36-V120 PolarHBondContact O-N 2.61Å; Y36-F122 HydrophobicContact CD2-CE2 4.11Å; Y36-I132 HydrophobicContact CE2-CG2 4.03Å; Y36-I135 HydrophobicContact CD2-CD1 3.88Å; Y36-I135 HydrophobicContact CG-CD1 4.17Å |
| 37 | P | 96.8 | Very high | 96.4 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 129.3 | 169.7 | 31.9 | -32 | 0 | 0 | 0 | 109.4 | M1 H117 | M1-P37 HydrophobicContact CE-CG 4.38Å; P37-H117 HydrophobicContact CB-CB 4.33Å; P37-H117 WeakPolarHBondContact CB-CD2 3.47Å |
| 38 | I | 96.9 | Very high | 96.4 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 107.3 | -179.7 | -53.4 | -55.7 | 0 | 0 | 0 | 107.9 | H117 F118 V120 I135 V137 | I38-H117 VanDerWaalsContact O-CA 3.28Å; I38-H117 WeakPolarHBondContact O-CA 3.29Å; I38-H117 VanDerWaalsContact O-CB 3.28Å; I38-H117 WeakPolarHBondContact O-CB 3.14Å; I38-F118 HydrophobicContact CB-CD1 4.05Å; I38-F118 HydrophobicContact CB-CD2 4.36Å; I38-F118 HydrophobicContact CB-CE1 3.64Å; I38-F118 HydrophobicContact CB-CE2 4Å; I38-F118 HydrophobicContact CB-CG 4.4Å; I38-F118 HydrophobicContact CB-CZ 3.64Å; I38-F118 HydrophobicContact CG1-CE2 4.01Å; I38-F118 HydrophobicContact CG1-CZ 4.01Å; I38-F118 HydrophobicContact CG2-CD1 4.34Å; I38-F118 HydrophobicContact CG2-CE1 3.52Å; I38-F118 HydrophobicContact CG2-CE2 4.39Å; I38-F118 HydrophobicContact CG2-CZ 3.57Å; I38-F118 PolarHBondContact N-O 3.04Å; I38-F118 PolarHBondContact O-N 3.34Å; I38-F118 VanDerWaalsContact O-N 3.08Å; I38-V120 HydrophobicContact CD1-CG2 4.43Å; I38-V120 HydrophobicContact CG1-CG2 3.75Å; I38-I135 HydrophobicContact CD1-CD1 4.25Å; I38-I135 HydrophobicContact CD1-CG2 3.87Å; I38-V137 HydrophobicContact CG2-CG2 3.53Å |
| 39 | P | 95.6 | Very high | 96.4 | Very high | 98 Ų | 98 | 48.8 Ų | 48.8 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 141.4 | -175 | 27.4 | -34.4 | 0 | 0 | 0 | 111.2 | D116 | P39-D116 WeakPolarHBondContact CA-O 3.3Å |
| 40 | I | 89.8 | Confident | 96.5 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 19% | 0.185 | 27% | 0.27 | C | S | . | . | trans | -110.3 | 128.8 | 176.4 | -61.2 | -53.4 | 0 | 0 | 0 | 109.9 | I99 I113 D116 F118 | I40-I99 HydrophobicContact CD1-CD1 3.31Å; I40-I99 HydrophobicContact CG1-CD1 3.94Å; I40-I99 HydrophobicContact CG2-CD1 4.06Å; I40-I99 HydrophobicContact CG2-CG2 4.19Å; I40-I113 HydrophobicContact CG1-CD1 4.47Å; I40-I113 HydrophobicContact CG1-CG2 4.48Å; I40-D116 PolarHBondContact N-O 3.09Å; I40-F118 HydrophobicContact CD1-CD1 3.45Å; I40-F118 VanDerWaalsContact CD1-CD1 3.45Å; I40-F118 HydrophobicContact CD1-CE1 3.38Å; I40-F118 HydrophobicContact CG1-CD1 3.75Å; I40-F118 HydrophobicContact CG1-CE1 4.22Å | ||
| 41 | T | 86.6 | Confident | 96.5 | Very high | 133 Ų | 133 | 47 Ų | 47 | 82% | 0.816 | 26% | 0.263 | S | S | * | . | trans | -102.8 | -22.8 | -178.3 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 42 | S | 94.9 | Very high | 96.6 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 30% | 0.301 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -166.8 | 159.9 | -176.9 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | Y46 K139 | S42-Y46 PolarHBondContact O-OH 3.15Å; S42-Y46 PolarHBondContact OG-OH 2.72Å; S42-K139 PolarHBondContact OG-NZ 3.15Å |
| 43 | D | 96.5 | Very high | 96.7 | Very high | 76 Ų | 76 | 38 Ų | 38 | 41% | 0.406 | 22% | 0.218 | S | C | . | . | trans | -62 | 152.9 | 162.8 | -73.1 | 5.4 | 0 | 0 | 0 | 111.7 | I99 K100 D101 K139 | D43-I99 WeakPolarHBondContact CA-O 3.26Å; D43-I99 WeakPolarHBondContact CB-O 3.49Å; D43-K100 WeakPolarHBondContact OD2-CA 3.32Å; D43-D101 PolarHBondContact OD2-N 2.84Å; D43-K139 PolarHBondContact O-NZ 2.83Å | ||
| 44 | G | 97.5 | Very high | 96.7 | Very high | 20 Ų | 20 | 34 Ų | 34 | 21% | 0.206 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | 178.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y46 I99 | G44-Y46 WeakPolarHBondContact O-CD2 3.37Å; G44-I99 PolarHBondContact N-O 3.39Å; G44-I99 PolarHBondContact O-N 2.75Å |
| 45 | E | 98 | Very high | 96.7 | Very high | 94 Ų | 94 | 33.9 Ų | 33.9 | 44% | 0.439 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 138.4 | 166.2 | -56.2 | -64.8 | 148.4 | 0 | 0 | 108.7 | K98 G140 | E45-K98 VanDerWaalsContact OE1-CG 3.3Å; E45-K98 WeakPolarHBondContact OE1-CG 3.17Å; E45-K98 IonicContact OE1-NZ 2.67Å; E45-K98 PolarHBondContact OE1-NZ 2.84Å; E45-G140 CarbonylContact C-O 3.43Å; E45-G140 PolarHBondContact O-N 3.07Å |
| 46 | Y | 98 | Very high | 96.6 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 5% | 0.051 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 154.5 | -177.2 | -66.3 | -92.6 | 0 | 0 | 0 | 111.1 | S42 G44 L97 I99 V137 T138 K139 | S42-Y46 PolarHBondContact O-OH 3.15Å; S42-Y46 PolarHBondContact OG-OH 2.72Å; G44-Y46 WeakPolarHBondContact O-CD2 3.37Å; Y46-L97 HydrophobicContact CD2-CD1 4.24Å; Y46-L97 HydrophobicContact CG-CD1 4.33Å; Y46-L97 PolarHBondContact N-O 3.3Å; Y46-L97 PolarHBondContact O-N 2.82Å; Y46-I99 HydrophobicContact CD2-CB 4.45Å; Y46-I99 HydrophobicContact CD2-CD1 3.93Å; Y46-I99 HydrophobicContact CD2-CG1 4.26Å; Y46-I99 HydrophobicContact CE2-CB 4.31Å; Y46-I99 HydrophobicContact CE2-CD1 4Å; Y46-I99 HydrophobicContact CE2-CG1 4.47Å; Y46-V137 HydrophobicContact CD1-CG1 3.58Å; Y46-V137 HydrophobicContact CE1-CG1 4.23Å; Y46-V137 HydrophobicContact CG-CG1 4.3Å; Y46-T138 CarbonylContact C-O 3.58Å; Y46-T138 WeakPolarHBondContact CA-O 3.43Å; Y46-K139 HydrophobicContact CD1-CB 3.88Å; Y46-K139 HydrophobicContact CD1-CG 4.21Å; Y46-K139 HydrophobicContact CE1-CB 3.61Å; Y46-K139 HydrophobicContact CE1-CD 4.16Å; Y46-K139 HydrophobicContact CE1-CG 3.75Å |
| 47 | I | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 120.3 | 163.1 | -51.2 | -59.1 | 0 | 0 | 0 | 108.5 | N94 P96 T138 S141 I142 V145 | I47-N94 HydrophobicContact CG2-CB 4.01Å; I47-P96 HydrophobicContact CD1-CB 3.87Å; I47-P96 HydrophobicContact CD1-CG 3.95Å; I47-T138 PolarHBondContact N-O 3.12Å; I47-T138 PolarHBondContact O-N 3.35Å; I47-S141 VanDerWaalsContact CG1-C 3.5Å; I47-S141 WeakPolarHBondContact CG1-O 3.33Å; I47-I142 HydrophobicContact CD1-CB 4.37Å; I47-I142 HydrophobicContact CG2-CD1 4.42Å; I47-V145 HydrophobicContact CB-CG2 3.68Å; I47-V145 HydrophobicContact CG1-CG2 3.86Å; I47-V145 HydrophobicContact CG2-CG2 3.78Å |
| 48 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 113.6 | 165.7 | 176.2 | 66.5 | 0 | 0 | 0 | 108.5 | L50 I69 L75 V95 L97 F118 V120 I135 V137 | L48-L50 HydrophobicContact CD1-CD2 4.02Å; L48-L50 HydrophobicContact CD2-CD2 4.31Å; L48-L50 HydrophobicContact CG-CD2 4.04Å; L48-L50 HydrophobicContact CG-CG 4.35Å; L48-I69 HydrophobicContact CD2-CD1 3.8Å; L48-L75 HydrophobicContact CD2-CD2 4.01Å; L48-V95 PolarHBondContact N-O 3.42Å; L48-V95 PolarHBondContact O-N 3.1Å; L48-L97 HydrophobicContact CB-CD2 3.73Å; L48-F118 HydrophobicContact CD2-CE2 4.42Å; L48-V120 HydrophobicContact CD1-CG2 4.28Å; L48-V120 HydrophobicContact CD2-CG2 3.94Å; L48-I135 HydrophobicContact CD1-CG2 3.72Å; L48-V137 HydrophobicContact CD1-CG2 3.97Å |
| 49 | T | 98.5 | Very high | 96.5 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.9 | 175 | -59 | 0 | 0 | 0 | 0 | 109.6 | K51 D92 L93 N94 V136 | T49-K51 HydrophobicContact CG2-CG 4Å; T49-D92 HydrophobicContact CG2-CB 4.33Å; T49-L93 WeakPolarHBondContact CA-O 3.42Å; T49-N94 WeakPolarHBondContact CB-OD1 3.4Å; T49-N94 WeakPolarHBondContact CG2-OD1 3.13Å; T49-N94 PolarHBondContact OG1-OD1 3.16Å; T49-V136 PolarHBondContact N-O 3.1Å; T49-V136 PolarHBondContact O-N 2.93Å |
| 50 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.3 | 171.7 | -54 | -177.4 | 0 | 0 | 0 | 108.9 | L48 F52 V67 L75 L93 V120 I132 I135 | L48-L50 HydrophobicContact CD1-CD2 4.02Å; L48-L50 HydrophobicContact CD2-CD2 4.31Å; L48-L50 HydrophobicContact CG-CD2 4.04Å; L48-L50 HydrophobicContact CG-CG 4.35Å; L50-F52 HydrophobicContact CB-CD2 4.34Å; L50-F52 HydrophobicContact CB-CE2 3.39Å; L50-F52 HydrophobicContact CB-CZ 3.7Å; L50-F52 HydrophobicContact CD1-CE2 4.47Å; L50-F52 HydrophobicContact CD1-CZ 4.24Å; L50-F52 WeakPolarHBondContact O-CD2 3.44Å; L50-V67 HydrophobicContact CD1-CB 4.45Å; L50-V67 HydrophobicContact CD1-CG1 3.7Å; L50-V67 HydrophobicContact CD1-CG2 4.46Å; L50-L75 HydrophobicContact CD1-CD2 3.63Å; L50-L93 HydrophobicContact CB-CB 4.36Å; L50-L93 HydrophobicContact CD1-CD2 4.43Å; L50-L93 PolarHBondContact N-O 2.6Å; L50-L93 PolarHBondContact O-N 3.24Å; L50-V120 HydrophobicContact CD1-CG1 4.31Å; L50-V120 HydrophobicContact CD2-CG1 4.11Å; L50-I132 HydrophobicContact CB-CD1 4.03Å; L50-I135 HydrophobicContact CD2-CB 4.39Å; L50-I135 HydrophobicContact CD2-CG1 3.98Å; L50-I135 HydrophobicContact CD2-CG2 3.99Å |
| 51 | K | 98.7 | Very high | 97 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.1 | -175.8 | -54.3 | -164.9 | 158 | -71.3 | 0 | 110.3 | I23 Y24 T49 D92 I132 N133 A134 | I23-K51 HydrophobicContact CG2-CD 3.69Å; Y24-K51 HydrophobicContact CD1-CB 4.47Å; Y24-K51 HydrophobicContact CE1-CB 3.84Å; Y24-K51 HydrophobicContact CE1-CD 4.44Å; Y24-K51 HydrophobicContact CE1-CG 4.5Å; Y24-K51 PolarHBondContact OH-NZ 2.82Å; T49-K51 HydrophobicContact CG2-CG 4Å; K51-D92 WeakPolarHBondContact CG-OD1 3.27Å; K51-D92 IonicContact NZ-OD1 3.52Å; K51-D92 PolarHBondContact NZ-OD1 2.97Å; K51-D92 IonicContact NZ-OD2 3.81Å; K51-D92 PolarHBondContact NZ-OD2 3.37Å; K51-I132 WeakPolarHBondContact O-CD1 3.46Å; K51-N133 WeakPolarHBondContact O-CA 3.11Å; K51-N133 VanDerWaalsContact O-CB 3.26Å; K51-N133 WeakPolarHBondContact O-CB 3.43Å; K51-N133 PolarHBondContact O-N 2.84Å; K51-A134 HydrophobicContact CB-CB 4.03Å; K51-A134 HydrophobicContact CD-CB 4.09Å; K51-A134 HydrophobicContact CG-CB 4.18Å; K51-A134 PolarHBondContact N-O 3.32Å; K51-A134 PolarHBondContact O-N 3.39Å |
| 52 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 155.5 | -176.6 | -55.9 | -84.1 | 0 | 0 | 0 | 112.4 | Y24 L50 F65 V67 L79 I81 F91 L93 F122 K131 I132 N133 | Y24-F52 WeakPolarHBondContact CD1-O 3.34Å; L50-F52 HydrophobicContact CB-CD2 4.34Å; L50-F52 HydrophobicContact CB-CE2 3.39Å; L50-F52 HydrophobicContact CB-CZ 3.7Å; L50-F52 HydrophobicContact CD1-CE2 4.47Å; L50-F52 HydrophobicContact CD1-CZ 4.24Å; L50-F52 WeakPolarHBondContact O-CD2 3.44Å; F52-F65 HydrophobicContact CD1-CZ 4.13Å; F52-F65 AromaticContact CE1-CE2 3.97Å; F52-F65 HydrophobicContact CE1-CE2 3.97Å; F52-F65 AromaticContact CE1-CZ 3.79Å; F52-F65 HydrophobicContact CE1-CZ 3.79Å; F52-F65 HydrophobicContact CZ-CE2 4.49Å; F52-V67 HydrophobicContact CZ-CG2 4.43Å; F52-L79 HydrophobicContact CD1-CD2 4.47Å; F52-L79 HydrophobicContact CD2-CD2 4.29Å; F52-L79 HydrophobicContact CE1-CD2 4.06Å; F52-L79 HydrophobicContact CE2-CD2 3.85Å; F52-L79 HydrophobicContact CZ-CD2 3.73Å; F52-I81 HydrophobicContact CB-CD1 3.79Å; F52-I81 HydrophobicContact CB-CG1 3.95Å; F52-I81 HydrophobicContact CB-CG2 4.13Å; F52-I81 HydrophobicContact CD1-CD1 3.83Å; F52-I81 HydrophobicContact CD1-CG1 4.4Å; F52-I81 HydrophobicContact CG-CD1 4.08Å; F52-I81 HydrophobicContact CG-CG1 4.27Å; F52-F91 HydrophobicContact CB-CB 4.29Å; F52-F91 HydrophobicContact CB-CD1 4.11Å; F52-F91 AromaticContact CD2-CD1 3.79Å; F52-F91 HydrophobicContact CD2-CD1 3.79Å; F52-F91 HydrophobicContact CD2-CE1 4.22Å; F52-F91 HydrophobicContact CG-CD1 4.34Å; F52-F91 PolarHBondContact N-O 2.89Å; F52-F91 PolarHBondContact O-N 2.75Å; F52-L93 HydrophobicContact CE2-CB 4.29Å; F52-F122 AromaticContact CE1-CE1 3.99Å; F52-F122 HydrophobicContact CE1-CE1 3.99Å; F52-F122 HydrophobicContact CZ-CE1 4.08Å; F52-K131 VanDerWaalsContact CE1-O 3.27Å; F52-K131 WeakPolarHBondContact CE1-O 3.28Å; F52-I132 HydrophobicContact CD1-CD1 3.85Å; F52-I132 HydrophobicContact CE1-CB 4.37Å; F52-I132 HydrophobicContact CE1-CD1 3.32Å; F52-I132 HydrophobicContact CE1-CG1 4.43Å; F52-I132 HydrophobicContact CE2-CD1 4.19Å; F52-I132 HydrophobicContact CG-CD1 4.47Å; F52-I132 HydrophobicContact CZ-CD1 3.52Å; F52-N133 VanDerWaalsContact C-OD1 3.25Å; F52-N133 WeakPolarHBondContact CA-OD1 3.4Å |
| 53 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -149.6 | 142.1 | 164.6 | 57.6 | 0 | 0 | 0 | 0 | 108.2 | Y24 K131 N133 | Y24-S53 PolarHBondContact O-OG 3.08Å; S53-K131 WeakPolarHBondContact O-CE 3.45Å; S53-K131 PolarHBondContact O-NZ 3.01Å; S53-N133 PolarHBondContact N-OD1 3.03Å; S53-N133 PolarHBondContact OG-ND2 2.88Å; S53-N133 PolarHBondContact OG-OD1 3.32Å | ||
| 54 | E | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -97.6 | 123 | 166.6 | -177.9 | 56 | -104.6 | 0 | 0 | 108.2 | W56 F57 K63 I81 F82 A88 | E54-W56 WeakPolarHBondContact OE1-CA 3.28Å; E54-W56 WeakPolarHBondContact OE1-CB 3.46Å; E54-W56 PolarHBondContact OE1-N 3.13Å; E54-F57 HydrophobicContact CG-CB 4.06Å; E54-F57 VanDerWaalsContact CG-O 3.26Å; E54-F57 WeakPolarHBondContact CG-O 3.36Å; E54-F57 PolarHBondContact OE1-N 2.74Å; E54-K63 WeakPolarHBondContact OE2-CD 3.37Å; E54-K63 WeakPolarHBondContact OE2-CE 3.2Å; E54-I81 HydrophobicContact CB-CB 4.16Å; E54-I81 HydrophobicContact CB-CG2 3.97Å; E54-F82 HydrophobicContact CB-CB 4.22Å; E54-F82 HydrophobicContact CG-CB 4.06Å; E54-F82 HydrophobicContact CG-CD2 4.49Å; E54-A88 PolarHBondContact O-N 2.88Å |
| 55 | V | 97.5 | Very high | 97.7 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 18% | 0.179 | C | C | . | . | trans | -129.2 | -1.6 | -176 | -65.7 | 0 | 0 | 0 | 0 | 112.2 | Y7 F11 I13 F87 | Y7-V55 HydrophobicContact CD1-CG2 4.18Å; Y7-V55 WeakPolarHBondContact CE1-O 3.33Å; F11-V55 HydrophobicContact CD2-CB 4.17Å; F11-V55 HydrophobicContact CD2-CG1 4.42Å; F11-V55 HydrophobicContact CE2-CB 4.39Å; I13-V55 HydrophobicContact CD1-CG1 4.29Å; V55-F87 VanDerWaalsContact O-CE2 3.3Å; V55-F87 WeakPolarHBondContact O-CE2 3.27Å; V55-F87 WeakPolarHBondContact O-CZ 3.35Å | ||
| 56 | W | 95.9 | Very high | 97.8 | Very high | 90 Ų | 90 | 37.3 Ų | 37.3 | 34% | 0.341 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -110.7 | -53 | 179.5 | -179.4 | -97 | 0 | 0 | 0 | 111.4 | Y7 E54 P196 | Y7-W56 HydrophobicContact CD1-CE3 4.14Å; Y7-W56 HydrophobicContact CD2-CE3 4.41Å; Y7-W56 HydrophobicContact CD2-CZ3 4.29Å; Y7-W56 AromaticContact CE1-CE3 3.78Å; Y7-W56 HydrophobicContact CE1-CE3 3.78Å; Y7-W56 HydrophobicContact CE1-CZ3 4.31Å; Y7-W56 HydrophobicContact CE2-CE3 4.07Å; Y7-W56 AromaticContact CE2-CZ3 3.78Å; Y7-W56 HydrophobicContact CE2-CZ3 3.78Å; Y7-W56 HydrophobicContact CG-CE3 4.45Å; Y7-W56 AromaticContact CZ-CE3 3.74Å; Y7-W56 AromaticContact CZ-CZ3 3.8Å; E54-W56 WeakPolarHBondContact OE1-CA 3.28Å; E54-W56 WeakPolarHBondContact OE1-CB 3.46Å; E54-W56 PolarHBondContact OE1-N 3.13Å; W56-P196 HydrophobicContact CD2-CB 4.26Å; W56-P196 HydrophobicContact CH2-CB 3.89Å; W56-P196 HydrophobicContact CZ2-CB 3.48Å; W56-P196 VanDerWaalsContact CZ2-CB 3.48Å; W56-P196 HydrophobicContact CZ3-CB 4.43Å |
| 57 | F | 96.8 | Very high | 97.8 | Very high | 38 Ų | 38 | 36.7 Ų | 36.7 | 17% | 0.167 | 16% | 0.162 | C | C | . | . | trans | -88.9 | 144 | -178.4 | -69.6 | -61.7 | 0 | 0 | 0 | 112.8 | E54 Q62 K63 F82 D128 | E54-F57 HydrophobicContact CG-CB 4.06Å; E54-F57 VanDerWaalsContact CG-O 3.26Å; E54-F57 WeakPolarHBondContact CG-O 3.36Å; E54-F57 PolarHBondContact OE1-N 2.74Å; F57-Q62 HydrophobicContact CB-CB 3.88Å; F57-Q62 VanDerWaalsContact CB-OE1 3.24Å; F57-Q62 HydrophobicContact CD1-CB 3.55Å; F57-Q62 HydrophobicContact CD1-CG 4.18Å; F57-Q62 HydrophobicContact CD2-CB 4.14Å; F57-Q62 HydrophobicContact CE1-CB 4.04Å; F57-Q62 HydrophobicContact CG-CB 3.58Å; F57-K63 HydrophobicContact CD2-CB 3.54Å; F57-K63 HydrophobicContact CE2-CB 3.75Å; F57-F82 WeakPolarHBondContact O-CD2 3.42Å; F57-D128 HydrophobicContact CE2-CB 3.88Å; F57-D128 VanDerWaalsContact CE2-OD2 3.29Å; F57-D128 WeakPolarHBondContact CE2-OD2 3.44Å; F57-D128 HydrophobicContact CZ-CB 4.09Å | ||
| 58 | T | 96.5 | Very high | 97.8 | Very high | 86 Ų | 86 | 38 Ų | 38 | 53% | 0.528 | 17% | 0.168 | S | C | . | . | trans | -118.9 | 10.9 | -175 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | F82 F87 | T58-F82 VanDerWaalsContact CA-CE2 3.47Å; T58-F82 WeakPolarHBondContact O-CE1 3.34Å; T58-F82 VanDerWaalsContact O-CE2 3.31Å; T58-F82 WeakPolarHBondContact O-CE2 3.32Å; T58-F82 WeakPolarHBondContact O-CZ 3.47Å; T58-F87 HydrophobicContact CG2-CD2 3.8Å; T58-F87 HydrophobicContact CG2-CE2 3.93Å | ||
| 59 | E | 96.1 | Very high | 97.8 | Very high | 114 Ų | 114 | 38 Ų | 38 | 53% | 0.533 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -138.2 | 157.6 | 177.3 | -54.7 | 177.7 | 166.6 | 0 | 0 | 111.9 | Q62 F82 | E59-Q62 HydrophobicContact CB-CG 4.05Å; E59-Q62 PolarHBondContact OE2-NE2 2.88Å; E59-F82 WeakPolarHBondContact O-CD1 3.39Å |
| 60 | R | 97.4 | Very high | 97.6 | Very high | 155 Ų | 155 | 38.8 Ų | 38.8 | 59% | 0.585 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 152.4 | 175.5 | -65.1 | -169.3 | 171 | 176.9 | -4.8 | 111 | Q62 D80 F82 G83 | R60-Q62 PolarHBondContact O-N 2.94Å; R60-Q62 VanDerWaalsContact O-N 3.16Å; R60-D80 WeakPolarHBondContact CA-OD2 2.94Å; R60-F82 HydrophobicContact CG-CD1 3.93Å; R60-F82 HydrophobicContact CG-CE1 4.21Å; R60-G83 PolarHBondContact NH2-O 2.9Å |
| 61 | Y | 96.7 | Very high | 97.4 | Very high | 154 Ų | 154 | 43.4 Ų | 43.4 | 60% | 0.604 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 11.3 | 176.8 | -48.9 | -69.3 | 0 | 0 | 0 | 115.5 | V64 D80 F127 | Y61-V64 HydrophobicContact CD1-CG2 4.47Å; Y61-D80 PolarHBondContact N-OD2 3.06Å; Y61-F127 WeakPolarHBondContact O-CD1 3.42Å; Y61-F127 WeakPolarHBondContact O-CE1 3.25Å |
| 62 | Q | 96.9 | Very high | 97.2 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 27% | 0.271 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -79.7 | -41.5 | 174.3 | -69.5 | -174.8 | -28.8 | 0 | 0 | 112 | F57 E59 R60 D128 | F57-Q62 HydrophobicContact CB-CB 3.88Å; F57-Q62 VanDerWaalsContact CB-OE1 3.24Å; F57-Q62 HydrophobicContact CD1-CB 3.55Å; F57-Q62 HydrophobicContact CD1-CG 4.18Å; F57-Q62 HydrophobicContact CD2-CB 4.14Å; F57-Q62 HydrophobicContact CE1-CB 4.04Å; F57-Q62 HydrophobicContact CG-CB 3.58Å; E59-Q62 HydrophobicContact CB-CG 4.05Å; E59-Q62 PolarHBondContact OE2-NE2 2.88Å; R60-Q62 PolarHBondContact O-N 2.94Å; R60-Q62 VanDerWaalsContact O-N 3.16Å; Q62-D128 VanDerWaalsContact O-CB 3.3Å; Q62-D128 WeakPolarHBondContact O-CB 3.25Å |
| 63 | K | 97.9 | Very high | 97 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -121.8 | 112.1 | 171.8 | -175.1 | -172.2 | -60 | -67 | 0 | 110.4 | E54 F57 F65 D128 N129 K131 | E54-K63 WeakPolarHBondContact OE2-CD 3.37Å; E54-K63 WeakPolarHBondContact OE2-CE 3.2Å; F57-K63 HydrophobicContact CD2-CB 3.54Å; F57-K63 HydrophobicContact CE2-CB 3.75Å; K63-F65 HydrophobicContact CD-CD1 4.44Å; K63-F65 HydrophobicContact CD-CE1 4.19Å; K63-F65 HydrophobicContact CG-CD1 4.11Å; K63-F65 HydrophobicContact CG-CE1 4.3Å; K63-D128 HydrophobicContact CB-CB 4.18Å; K63-D128 HydrophobicContact CG-CB 4.23Å; K63-D128 IonicContact NZ-OD2 2.77Å; K63-D128 PolarHBondContact NZ-OD2 3.01Å; K63-N129 WeakPolarHBondContact CD-O 3.28Å; K63-N129 PolarHBondContact NZ-O 2.79Å; K63-K131 HydrophobicContact CD-CD 4.39Å; K63-K131 HydrophobicContact CD-CG 3.99Å |
| 64 | V | 98.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | trans | -134.3 | 130.6 | 179.6 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | Y61 N78 L79 D80 T125 F127 | Y61-V64 HydrophobicContact CD1-CG2 4.47Å; V64-N78 VanDerWaalsContact CG1-CA 3.47Å; V64-N78 HydrophobicContact CG1-CB 3.78Å; V64-L79 WeakPolarHBondContact CA-O 3.38Å; V64-D80 HydrophobicContact CG2-CB 4.19Å; V64-T125 PolarHBondContact O-OG1 2.78Å; V64-F127 HydrophobicContact CB-CB 4.01Å; V64-F127 HydrophobicContact CB-CD2 3.47Å; V64-F127 VanDerWaalsContact CB-CD2 3.47Å; V64-F127 HydrophobicContact CB-CE2 4.03Å; V64-F127 HydrophobicContact CB-CG 3.84Å; V64-F127 HydrophobicContact CG1-CD2 4.08Å; V64-F127 HydrophobicContact CG1-CE2 4.26Å; V64-F127 HydrophobicContact CG2-CB 4.26Å; V64-F127 HydrophobicContact CG2-CD1 4.31Å; V64-F127 HydrophobicContact CG2-CD2 3.84Å; V64-F127 HydrophobicContact CG2-CE2 4.15Å; V64-F127 HydrophobicContact CG2-CG 3.88Å | ||
| 65 | F | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 167.1 | 178.9 | 57.6 | -86.8 | 0 | 0 | 0 | 111 | F52 K63 V67 L79 I81 F122 I123 P130 K131 | F52-F65 HydrophobicContact CD1-CZ 4.13Å; F52-F65 AromaticContact CE1-CE2 3.97Å; F52-F65 HydrophobicContact CE1-CE2 3.97Å; F52-F65 AromaticContact CE1-CZ 3.79Å; F52-F65 HydrophobicContact CE1-CZ 3.79Å; F52-F65 HydrophobicContact CZ-CE2 4.49Å; K63-F65 HydrophobicContact CD-CD1 4.44Å; K63-F65 HydrophobicContact CD-CE1 4.19Å; K63-F65 HydrophobicContact CG-CD1 4.11Å; K63-F65 HydrophobicContact CG-CE1 4.3Å; F65-V67 HydrophobicContact CD2-CG2 4.23Å; F65-V67 HydrophobicContact CE2-CG2 4Å; F65-L79 HydrophobicContact CE2-CD2 3.78Å; F65-L79 HydrophobicContact CE2-CG 4.47Å; F65-L79 HydrophobicContact CZ-CD2 3.74Å; F65-L79 HydrophobicContact CZ-CG 4.26Å; F65-L79 PolarHBondContact N-O 3.19Å; F65-L79 WeakPolarHBondContact O-CB 3.44Å; F65-L79 PolarHBondContact O-N 2.56Å; F65-I81 HydrophobicContact CE1-CD1 3.85Å; F65-I81 HydrophobicContact CE1-CG1 4.39Å; F65-I81 HydrophobicContact CZ-CD1 3.9Å; F65-I81 HydrophobicContact CZ-CG1 4.43Å; F65-F122 HydrophobicContact CD2-CD1 4.39Å; F65-F122 AromaticContact CE2-CD1 3.98Å; F65-F122 HydrophobicContact CE2-CD1 3.98Å; F65-I123 WeakPolarHBondContact CB-O 3.26Å; F65-P130 HydrophobicContact CB-CB 3.82Å; F65-P130 HydrophobicContact CD1-CB 4.42Å; F65-P130 HydrophobicContact CD2-CB 3.91Å; F65-P130 HydrophobicContact CG-CB 3.81Å; F65-K131 HydrophobicContact CE1-CG 4.23Å; F65-K131 HydrophobicContact CZ-CG 4.34Å; F65-K131 WeakPolarHBondContact CZ-O 3.06Å |
| 66 | N | 98.4 | Very high | 96.8 | Very high | 26 Ų | 26 | 52 Ų | 52 | 14% | 0.139 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 158.8 | 172.7 | -50.2 | -46.6 | 0 | 0 | 0 | 110.2 | V76 Q77 N78 I123 | N66-V76 WeakPolarHBondContact CA-O 3.42Å; N66-Q77 WeakPolarHBondContact OD1-CA 3.28Å; N66-N78 PolarHBondContact OD1-N 2.98Å; N66-I123 HydrophobicContact CB-CB 4.11Å; N66-I123 PolarHBondContact N-O 2.71Å; N66-I123 PolarHBondContact O-N 3.35Å |
| 67 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.2 | 166.6 | -172 | 0 | 0 | 0 | 0 | 108.5 | L50 F52 F65 L75 V76 L79 V120 D121 F122 | L50-V67 HydrophobicContact CD1-CB 4.45Å; L50-V67 HydrophobicContact CD1-CG1 3.7Å; L50-V67 HydrophobicContact CD1-CG2 4.46Å; F52-V67 HydrophobicContact CZ-CG2 4.43Å; F65-V67 HydrophobicContact CD2-CG2 4.23Å; F65-V67 HydrophobicContact CE2-CG2 4Å; V67-L75 HydrophobicContact CB-CB 4.36Å; V67-L75 HydrophobicContact CG1-CB 4.36Å; V67-L75 HydrophobicContact CG1-CD2 3.95Å; V67-L75 WeakPolarHBondContact O-CA 3.27Å; V67-L75 WeakPolarHBondContact O-CB 3.31Å; V67-L75 PolarHBondContact O-N 2.89Å; V67-V76 HydrophobicContact CB-CG1 3.69Å; V67-V76 HydrophobicContact CG2-CG1 3.71Å; V67-V76 PolarHBondContact N-O 2.91Å; V67-V76 PolarHBondContact O-N 3.32Å; V67-V76 VanDerWaalsContact O-N 3.09Å; V67-L79 HydrophobicContact CG2-CD2 4.45Å; V67-V120 HydrophobicContact CG1-CG1 3.74Å; V67-D121 CarbonylContact C-O 3.44Å; V67-D121 VanDerWaalsContact CA-O 3.25Å; V67-D121 WeakPolarHBondContact CA-O 3.3Å; V67-F122 HydrophobicContact CG1-CD1 4.48Å; V67-F122 HydrophobicContact CG1-CE1 4.3Å; V67-F122 HydrophobicContact CG2-CD1 3.89Å; V67-F122 HydrophobicContact CG2-CE1 4Å |
| 68 | H | 98.1 | Very high | 96.9 | Very high | 30 Ų | 30 | 56.9 Ų | 56.9 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 164.1 | 176.7 | -64.1 | -178.5 | 0 | 0 | 0 | 110.5 | N71 L73 D121 | H68-N71 PolarHBondContact ND1-O 2.96Å; H68-N71 VanDerWaalsContact ND1-O 3.15Å; H68-L73 CarbonylContact C-O 3.56Å; H68-L73 VanDerWaalsContact CA-O 3.27Å; H68-L73 WeakPolarHBondContact CA-O 3.46Å; H68-D121 HydrophobicContact CB-CB 4.31Å; H68-D121 PolarHBondContact N-O 3.34Å; H68-D121 PolarHBondContact O-N 2.68Å |
| 69 | I | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.9 | 163.5 | -61.1 | -62.7 | 0 | 0 | 0 | 107.8 | L48 N71 S72 L73 L75 I104 I106 V111 F118 T119 V120 | L48-I69 HydrophobicContact CD2-CD1 3.8Å; I69-N71 PolarHBondContact O-N 3.25Å; I69-N71 VanDerWaalsContact O-N 3.15Å; I69-S72 PolarHBondContact O-N 2.82Å; I69-L73 HydrophobicContact CB-CB 4.29Å; I69-L73 PolarHBondContact N-O 2.87Å; I69-L73 WeakPolarHBondContact O-CB 3.15Å; I69-L73 PolarHBondContact O-N 2.77Å; I69-L75 HydrophobicContact CD1-CD2 4.41Å; I69-L75 HydrophobicContact CG1-CD1 4.22Å; I69-I104 HydrophobicContact CG2-CD1 4.06Å; I69-I106 HydrophobicContact CG1-CD1 3.96Å; I69-V111 HydrophobicContact CG2-CG1 3.84Å; I69-F118 HydrophobicContact CD1-CD2 4.04Å; I69-F118 HydrophobicContact CD1-CE2 3.8Å; I69-F118 HydrophobicContact CG2-CD2 3.98Å; I69-T119 WeakPolarHBondContact CA-O 3.38Å; I69-V120 HydrophobicContact CD1-CB 4.49Å; I69-V120 HydrophobicContact CD1-CG2 3.82Å |
| 70 | Q | 96 | Very high | 97.1 | Very high | 19 Ų | 19 | 48.2 Ų | 48.2 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 37.8 | 177.5 | -65.5 | -69.4 | 75.7 | 0 | 0 | 112.9 | S72 V111 T112 D114 F118 T119 D121 | Q70-S72 WeakPolarHBondContact O-CB 3.43Å; Q70-S72 PolarHBondContact O-N 3.15Å; Q70-S72 PolarHBondContact O-OG 3.21Å; Q70-V111 HydrophobicContact CB-CG1 4.24Å; Q70-V111 HydrophobicContact CB-CG2 3.52Å; Q70-V111 HydrophobicContact CG-CG1 4.04Å; Q70-V111 HydrophobicContact CG-CG2 3.93Å; Q70-T112 PolarHBondContact NE2-O 3.16Å; Q70-D114 PolarHBondContact NE2-OD2 3.47Å; Q70-D114 PolarHBondContact OE1-OD2 2.74Å; Q70-F118 HydrophobicContact CG-CB 4.28Å; Q70-T119 WeakPolarHBondContact CA-OG1 3.28Å; Q70-T119 PolarHBondContact N-O 2.84Å; Q70-T119 VanDerWaalsContact N-O 3.1Å; Q70-T119 PolarHBondContact N-OG1 2.95Å; Q70-T119 PolarHBondContact OE1-OG1 3.17Å; Q70-D121 PolarHBondContact N-OD2 2.84Å; Q70-D121 VanDerWaalsContact N-OD2 3.12Å |
| 71 | N | 94.4 | Very high | 97.2 | Very high | 97 Ų | 97 | 40.8 Ų | 40.8 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -9.5 | -175.5 | -69.1 | -60 | 0 | 0 | 0 | 116.7 | H68 I69 D121 | H68-N71 PolarHBondContact ND1-O 2.96Å; H68-N71 VanDerWaalsContact ND1-O 3.15Å; I69-N71 PolarHBondContact O-N 3.25Å; I69-N71 VanDerWaalsContact O-N 3.15Å; N71-D121 WeakPolarHBondContact CA-OD2 3.45Å; N71-D121 PolarHBondContact N-OD2 2.76Å; N71-D121 WeakPolarHBondContact OD1-CB 3.15Å; N71-D121 PolarHBondContact OD1-OD1 3.4Å |
| 72 | S | 93.3 | Very high | 97.2 | Very high | 81 Ų | 81 | 35.4 Ų | 35.4 | 57% | 0.566 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.3 | -26.8 | -161.7 | 55.9 | 0 | 0 | 0 | 0 | 113 | I69 Q70 P74 | I69-S72 PolarHBondContact O-N 2.82Å; Q70-S72 WeakPolarHBondContact O-CB 3.43Å; Q70-S72 PolarHBondContact O-N 3.15Å; Q70-S72 PolarHBondContact O-OG 3.21Å; S72-P74 WeakPolarHBondContact O-CD 3.35Å |
| 73 | L | 96.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 107.6 | -179.7 | 176.7 | 54.8 | 0 | 0 | 0 | 110.2 | H68 I69 L75 I106 N109 V111 | H68-L73 CarbonylContact C-O 3.56Å; H68-L73 VanDerWaalsContact CA-O 3.27Å; H68-L73 WeakPolarHBondContact CA-O 3.46Å; I69-L73 HydrophobicContact CB-CB 4.29Å; I69-L73 PolarHBondContact N-O 2.87Å; I69-L73 WeakPolarHBondContact O-CB 3.15Å; I69-L73 PolarHBondContact O-N 2.77Å; L73-L75 PolarHBondContact O-N 2.81Å; L73-I106 HydrophobicContact CD2-CB 4.34Å; L73-I106 HydrophobicContact CD2-CD1 3.92Å; L73-I106 HydrophobicContact CD2-CG1 4.31Å; L73-N109 HydrophobicContact CD1-CB 3.36Å; L73-N109 HydrophobicContact CD2-CB 4.39Å; L73-V111 HydrophobicContact CB-CB 4.24Å; L73-V111 HydrophobicContact CB-CG1 4.24Å; L73-V111 HydrophobicContact CD2-CB 4.13Å; L73-V111 HydrophobicContact CD2-CG1 3.73Å |
| 74 | P | 96.1 | Very high | 97.2 | Very high | 59 Ų | 59 | 38.5 Ų | 38.5 | 38% | 0.383 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 122.4 | 179.7 | -19.6 | 33.5 | 0 | 0 | 0 | 111.7 | S72 Q77 | S72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-Q77 HydrophobicContact CB-CG 4.01Å |
| 75 | L | 96.3 | Very high | 97.1 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 16% | 0.157 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -50 | 175.9 | -166.9 | 67.2 | 0 | 0 | 0 | 110.9 | L48 L50 V67 I69 L73 V95 I106 | L48-L75 HydrophobicContact CD2-CD2 4.01Å; L50-L75 HydrophobicContact CD1-CD2 3.63Å; V67-L75 HydrophobicContact CB-CB 4.36Å; V67-L75 HydrophobicContact CG1-CB 4.36Å; V67-L75 HydrophobicContact CG1-CD2 3.95Å; V67-L75 WeakPolarHBondContact O-CA 3.27Å; V67-L75 WeakPolarHBondContact O-CB 3.31Å; V67-L75 PolarHBondContact O-N 2.89Å; I69-L75 HydrophobicContact CD1-CD2 4.41Å; I69-L75 HydrophobicContact CG1-CD1 4.22Å; L73-L75 PolarHBondContact O-N 2.81Å; L75-V95 HydrophobicContact CD1-CB 3.93Å; L75-V95 HydrophobicContact CD1-CG1 3.51Å; L75-V95 HydrophobicContact CD1-CG2 3.64Å; L75-V95 HydrophobicContact CD2-CG2 4.04Å; L75-V95 HydrophobicContact CG-CG2 3.87Å; L75-I106 HydrophobicContact CD1-CD1 3.94Å |
| 76 | V | 97 | Very high | 97.1 | Very high | 32 Ų | 32 | 40 Ų | 40 | 19% | 0.194 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 137.4 | 171.4 | 56.4 | 0 | 0 | 0 | 0 | 108.9 | N66 V67 L79 L93 | N66-V76 WeakPolarHBondContact CA-O 3.42Å; V67-V76 HydrophobicContact CB-CG1 3.69Å; V67-V76 HydrophobicContact CG2-CG1 3.71Å; V67-V76 PolarHBondContact N-O 2.91Å; V67-V76 PolarHBondContact O-N 3.32Å; V67-V76 VanDerWaalsContact O-N 3.09Å; V76-L79 HydrophobicContact CG1-CB 4.27Å; V76-L79 HydrophobicContact CG1-CD2 4.33Å; V76-L79 HydrophobicContact CG2-CB 4.16Å; V76-L93 HydrophobicContact CB-CD2 3.92Å; V76-L93 HydrophobicContact CG1-CD2 3.53Å |
| 77 | Q | 97 | Very high | 97 | Very high | 130 Ų | 130 | 41.6 Ų | 41.6 | 61% | 0.607 | 23% | 0.228 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 141.1 | 177 | -66.7 | 178.9 | 71.9 | 0 | 0 | 109.6 | N66 P74 L79 | N66-Q77 WeakPolarHBondContact OD1-CA 3.28Å; P74-Q77 HydrophobicContact CB-CG 4.01Å; Q77-L79 PolarHBondContact O-N 3.15Å |
| 78 | N | 97.6 | Very high | 97 | Very high | 101 Ų | 101 | 41.9 Ų | 41.9 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53 | 48.9 | -180 | -53.9 | -56.2 | 0 | 0 | 0 | 113.3 | V64 N66 D80 | V64-N78 VanDerWaalsContact CG1-CA 3.47Å; V64-N78 HydrophobicContact CG1-CB 3.78Å; N66-N78 PolarHBondContact OD1-N 2.98Å; N78-D80 PolarHBondContact O-N 3.48Å; N78-D80 VanDerWaalsContact O-N 3.15Å |
| 79 | L | 98.5 | Very high | 97 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 111.2 | 175.5 | 176.4 | 58.5 | 0 | 0 | 0 | 110.3 | F52 V64 F65 V67 V76 Q77 I81 Q84 F91 | F52-L79 HydrophobicContact CD1-CD2 4.47Å; F52-L79 HydrophobicContact CD2-CD2 4.29Å; F52-L79 HydrophobicContact CE1-CD2 4.06Å; F52-L79 HydrophobicContact CE2-CD2 3.85Å; F52-L79 HydrophobicContact CZ-CD2 3.73Å; V64-L79 WeakPolarHBondContact CA-O 3.38Å; F65-L79 HydrophobicContact CE2-CD2 3.78Å; F65-L79 HydrophobicContact CE2-CG 4.47Å; F65-L79 HydrophobicContact CZ-CD2 3.74Å; F65-L79 HydrophobicContact CZ-CG 4.26Å; F65-L79 PolarHBondContact N-O 3.19Å; F65-L79 WeakPolarHBondContact O-CB 3.44Å; F65-L79 PolarHBondContact O-N 2.56Å; V67-L79 HydrophobicContact CG2-CD2 4.45Å; V76-L79 HydrophobicContact CG1-CB 4.27Å; V76-L79 HydrophobicContact CG1-CD2 4.33Å; V76-L79 HydrophobicContact CG2-CB 4.16Å; Q77-L79 PolarHBondContact O-N 3.15Å; L79-I81 HydrophobicContact CD2-CG1 4.41Å; L79-I81 HydrophobicContact CG-CG1 4.23Å; L79-Q84 HydrophobicContact CD1-CG 4.47Å; L79-F91 HydrophobicContact CD1-CD1 4.4Å; L79-F91 HydrophobicContact CD1-CE1 3.65Å; L79-F91 HydrophobicContact CD1-CZ 4.38Å |
| 80 | D | 98.4 | Very high | 97 | Very high | 12 Ų | 12 | 41 Ų | 41 | 6% | 0.064 | 23% | 0.227 | C | C | . | . | trans | -107.8 | 98.8 | 169.8 | 178 | -2.7 | 0 | 0 | 0 | 109.2 | R60 Y61 V64 N78 F82 G83 Q84 | R60-D80 WeakPolarHBondContact CA-OD2 2.94Å; Y61-D80 PolarHBondContact N-OD2 3.06Å; V64-D80 HydrophobicContact CG2-CB 4.19Å; N78-D80 PolarHBondContact O-N 3.48Å; N78-D80 VanDerWaalsContact O-N 3.15Å; D80-F82 PolarHBondContact O-N 3.3Å; D80-F82 PolarHBondContact OD1-N 3.5Å; D80-G83 VanDerWaalsContact CG-N 3.32Å; D80-G83 PolarHBondContact O-N 3.14Å; D80-G83 PolarHBondContact OD1-N 2.99Å; D80-Q84 VanDerWaalsContact O-CG 3.3Å; D80-Q84 WeakPolarHBondContact O-CG 3.46Å; D80-Q84 PolarHBondContact O-N 3.18Å | ||
| 81 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | -175.2 | -59 | 158.6 | 0 | 0 | 0 | 110.7 | F52 E54 F65 L79 G83 Q84 V85 F91 K131 | F52-I81 HydrophobicContact CB-CD1 3.79Å; F52-I81 HydrophobicContact CB-CG1 3.95Å; F52-I81 HydrophobicContact CB-CG2 4.13Å; F52-I81 HydrophobicContact CD1-CD1 3.83Å; F52-I81 HydrophobicContact CD1-CG1 4.4Å; F52-I81 HydrophobicContact CG-CD1 4.08Å; F52-I81 HydrophobicContact CG-CG1 4.27Å; E54-I81 HydrophobicContact CB-CB 4.16Å; E54-I81 HydrophobicContact CB-CG2 3.97Å; F65-I81 HydrophobicContact CE1-CD1 3.85Å; F65-I81 HydrophobicContact CE1-CG1 4.39Å; F65-I81 HydrophobicContact CZ-CD1 3.9Å; F65-I81 HydrophobicContact CZ-CG1 4.43Å; L79-I81 HydrophobicContact CD2-CG1 4.41Å; L79-I81 HydrophobicContact CG-CG1 4.23Å; I81-G83 VanDerWaalsContact C-N 3.3Å; I81-G83 PolarHBondContact O-N 2.98Å; I81-Q84 PolarHBondContact O-N 3.04Å; I81-Q84 VanDerWaalsContact O-N 3.14Å; I81-V85 HydrophobicContact CG2-CG2 4.15Å; I81-V85 WeakPolarHBondContact O-CG2 3.5Å; I81-V85 PolarHBondContact O-N 3.01Å; I81-F91 HydrophobicContact CG2-CB 4.44Å; I81-K131 HydrophobicContact CD1-CD 4Å; I81-K131 HydrophobicContact CD1-CG 3.95Å |
| 82 | F | 98.1 | Very high | 97.4 | Very high | 41 Ų | 41 | 37.9 Ų | 37.9 | 18% | 0.18 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.8 | -176.7 | -87.5 | 0 | 0 | 0 | 111 | E54 F57 T58 E59 R60 D80 Q84 G86 F87 | E54-F82 HydrophobicContact CB-CB 4.22Å; E54-F82 HydrophobicContact CG-CB 4.06Å; E54-F82 HydrophobicContact CG-CD2 4.49Å; F57-F82 WeakPolarHBondContact O-CD2 3.42Å; T58-F82 VanDerWaalsContact CA-CE2 3.47Å; T58-F82 WeakPolarHBondContact O-CE1 3.34Å; T58-F82 VanDerWaalsContact O-CE2 3.31Å; T58-F82 WeakPolarHBondContact O-CE2 3.32Å; T58-F82 WeakPolarHBondContact O-CZ 3.47Å; E59-F82 WeakPolarHBondContact O-CD1 3.39Å; R60-F82 HydrophobicContact CG-CD1 3.93Å; R60-F82 HydrophobicContact CG-CE1 4.21Å; D80-F82 PolarHBondContact O-N 3.3Å; D80-F82 PolarHBondContact OD1-N 3.5Å; F82-Q84 PolarHBondContact O-N 2.88Å; F82-G86 VanDerWaalsContact O-CA 3.27Å; F82-G86 WeakPolarHBondContact O-CA 3.43Å; F82-G86 PolarHBondContact O-N 3.25Å; F82-F87 HydrophobicContact CD2-CB 4.41Å; F82-F87 HydrophobicContact CE2-CB 4Å |
| 83 | G | 97.2 | Very high | 97.6 | Very high | 17 Ų | 17 | 35.8 Ų | 35.8 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -31.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R60 D80 I81 | R60-G83 PolarHBondContact NH2-O 2.9Å; D80-G83 VanDerWaalsContact CG-N 3.32Å; D80-G83 PolarHBondContact O-N 3.14Å; D80-G83 PolarHBondContact OD1-N 2.99Å; I81-G83 VanDerWaalsContact C-N 3.3Å; I81-G83 PolarHBondContact O-N 2.98Å |
| 84 | Q | 97.1 | Very high | 97.7 | Very high | 113 Ų | 113 | 37 Ų | 37 | 53% | 0.528 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -80 | -47 | 178.3 | -66.4 | -61.7 | -35.9 | 0 | 0 | 113.3 | L79 D80 I81 F82 F91 | L79-Q84 HydrophobicContact CD1-CG 4.47Å; D80-Q84 VanDerWaalsContact O-CG 3.3Å; D80-Q84 WeakPolarHBondContact O-CG 3.46Å; D80-Q84 PolarHBondContact O-N 3.18Å; I81-Q84 PolarHBondContact O-N 3.04Å; I81-Q84 VanDerWaalsContact O-N 3.14Å; F82-Q84 PolarHBondContact O-N 2.88Å; Q84-F91 HydrophobicContact CB-CD2 4.31Å; Q84-F91 HydrophobicContact CB-CE2 4.23Å; Q84-F91 HydrophobicContact CG-CE2 4.38Å; Q84-F91 HydrophobicContact CG-CZ 4.22Å |
| 85 | V | 97.2 | Very high | 97.7 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 10% | 0.097 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -131.4 | -6.7 | -167.3 | -60.6 | 0 | 0 | 0 | 0 | 115.3 | I81 T89 F91 L151 | I81-V85 HydrophobicContact CG2-CG2 4.15Å; I81-V85 WeakPolarHBondContact O-CG2 3.5Å; I81-V85 PolarHBondContact O-N 3.01Å; V85-T89 HydrophobicContact CB-CG2 3.77Å; V85-T89 HydrophobicContact CG2-CG2 4.18Å; V85-T89 WeakPolarHBondContact CG2-O 3.36Å; V85-T89 VanDerWaalsContact O-CB 3.27Å; V85-T89 WeakPolarHBondContact O-CB 3.45Å; V85-T89 WeakPolarHBondContact O-CG2 2.89Å; V85-T89 PolarHBondContact O-OG1 2.91Å; V85-F91 HydrophobicContact CB-CB 4.44Å; V85-F91 HydrophobicContact CG1-CB 3.75Å; V85-F91 HydrophobicContact CG1-CD2 3.61Å; V85-F91 HydrophobicContact CG1-CG 4.01Å; V85-F91 HydrophobicContact CG2-CB 3.81Å; V85-L151 HydrophobicContact CB-CD2 4.16Å; V85-L151 HydrophobicContact CG1-CD1 4.25Å; V85-L151 HydrophobicContact CG1-CD2 4.11Å |
| 86 | G | 97.2 | Very high | 97.8 | Very high | 20 Ų | 20 | 37.3 Ų | 37.3 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | trans | 78.9 | -171.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | F82 | F82-G86 VanDerWaalsContact O-CA 3.27Å; F82-G86 WeakPolarHBondContact O-CA 3.43Å; F82-G86 PolarHBondContact O-N 3.25Å | ||
| 87 | F | 97.5 | Very high | 97.8 | Very high | 58 Ų | 58 | 36 Ų | 36 | 25% | 0.254 | 19% | 0.194 | S | C | . | . | B | Isolated β-bridge | trans | -69.8 | 144.7 | -177.7 | -168.6 | -104.6 | 0 | 0 | 0 | 112.1 | F11 V55 T58 F82 T89 | F11-F87 AromaticContact CD1-CE1 3.66Å; F11-F87 HydrophobicContact CD1-CE1 3.66Å; F11-F87 HydrophobicContact CD1-CZ 4.09Å; F11-F87 HydrophobicContact CD2-CZ 4.4Å; F11-F87 AromaticContact CE1-CE1 3.59Å; F11-F87 HydrophobicContact CE1-CE1 3.59Å; F11-F87 AromaticContact CE1-CZ 3.67Å; F11-F87 HydrophobicContact CE1-CZ 3.67Å; F11-F87 HydrophobicContact CE2-CZ 4.02Å; F11-F87 HydrophobicContact CG-CE1 4.16Å; F11-F87 HydrophobicContact CG-CZ 4.43Å; F11-F87 HydrophobicContact CZ-CE1 4.05Å; F11-F87 AromaticContact CZ-CZ 3.63Å; F11-F87 HydrophobicContact CZ-CZ 3.63Å; V55-F87 VanDerWaalsContact O-CE2 3.3Å; V55-F87 WeakPolarHBondContact O-CE2 3.27Å; V55-F87 WeakPolarHBondContact O-CZ 3.35Å; T58-F87 HydrophobicContact CG2-CD2 3.8Å; T58-F87 HydrophobicContact CG2-CE2 3.93Å; F82-F87 HydrophobicContact CD2-CB 4.41Å; F82-F87 HydrophobicContact CE2-CB 4Å; F87-T89 PolarHBondContact O-N 2.89Å; F87-T89 PolarHBondContact O-OG1 2.94Å |
| 88 | A | 97.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F11 I13 N14 E54 | F11-A88 HydrophobicContact CB-CB 4Å; F11-A88 HydrophobicContact CG-CB 4.46Å; I13-A88 CarbonylContact C-O 3.51Å; I13-A88 WeakPolarHBondContact CA-O 3.19Å; N14-A88 PolarHBondContact N-O 2.78Å; N14-A88 PolarHBondContact ND2-O 3.25Å; E54-A88 PolarHBondContact O-N 2.88Å |
| 89 | T | 98.3 | Very high | 97.8 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -123.6 | 134.1 | -176 | -59.8 | 0 | 0 | 0 | 0 | 110 | N14 R15 V85 F87 L151 | N14-T89 HydrophobicContact CB-CG2 3.95Å; N14-T89 PolarHBondContact ND2-OG1 2.7Å; R15-T89 VanDerWaalsContact CD-CG2 3.48Å; R15-T89 HydrophobicContact CG-CG2 3.94Å; V85-T89 HydrophobicContact CB-CG2 3.77Å; V85-T89 HydrophobicContact CG2-CG2 4.18Å; V85-T89 WeakPolarHBondContact CG2-O 3.36Å; V85-T89 VanDerWaalsContact O-CB 3.27Å; V85-T89 WeakPolarHBondContact O-CB 3.45Å; V85-T89 WeakPolarHBondContact O-CG2 2.89Å; V85-T89 PolarHBondContact O-OG1 2.91Å; F87-T89 PolarHBondContact O-N 2.89Å; F87-T89 PolarHBondContact O-OG1 2.94Å; T89-L151 HydrophobicContact CG2-CD2 4.18Å |
| 90 | A | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -67.1 | 134.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | I13 N14 R15 V16 Y24 L148 | I13-A90 HydrophobicContact CG2-CB 4.03Å; N14-A90 WeakPolarHBondContact O-CB 3.43Å; N14-A90 PolarHBondContact O-N 2.8Å; R15-A90 HydrophobicContact CB-CB 4.44Å; R15-A90 PolarHBondContact NH1-O 2.91Å; V16-A90 HydrophobicContact CG1-CB 3.81Å; V16-A90 HydrophobicContact CG2-CB 4.44Å; Y24-A90 HydrophobicContact CD1-CB 3.78Å; Y24-A90 HydrophobicContact CD2-CB 4.35Å; Y24-A90 HydrophobicContact CE1-CB 3.57Å; Y24-A90 HydrophobicContact CE2-CB 4.19Å; Y24-A90 HydrophobicContact CG-CB 4.16Å; A90-L148 HydrophobicContact CB-CD1 3.91Å; A90-L148 HydrophobicContact CB-CD2 3.97Å | ||
| 91 | F | 98.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 13% | 0.132 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 122.3 | 173 | 179 | -119.4 | 0 | 0 | 0 | 110.3 | F52 L79 I81 Q84 V85 L93 | F52-F91 HydrophobicContact CB-CB 4.29Å; F52-F91 HydrophobicContact CB-CD1 4.11Å; F52-F91 AromaticContact CD2-CD1 3.79Å; F52-F91 HydrophobicContact CD2-CD1 3.79Å; F52-F91 HydrophobicContact CD2-CE1 4.22Å; F52-F91 HydrophobicContact CG-CD1 4.34Å; F52-F91 PolarHBondContact N-O 2.89Å; F52-F91 PolarHBondContact O-N 2.75Å; L79-F91 HydrophobicContact CD1-CD1 4.4Å; L79-F91 HydrophobicContact CD1-CE1 3.65Å; L79-F91 HydrophobicContact CD1-CZ 4.38Å; I81-F91 HydrophobicContact CG2-CB 4.44Å; Q84-F91 HydrophobicContact CB-CD2 4.31Å; Q84-F91 HydrophobicContact CB-CE2 4.23Å; Q84-F91 HydrophobicContact CG-CE2 4.38Å; Q84-F91 HydrophobicContact CG-CZ 4.22Å; V85-F91 HydrophobicContact CB-CB 4.44Å; V85-F91 HydrophobicContact CG1-CB 3.75Å; V85-F91 HydrophobicContact CG1-CD2 3.61Å; V85-F91 HydrophobicContact CG1-CG 4.01Å; V85-F91 HydrophobicContact CG2-CB 3.81Å; F91-L93 HydrophobicContact CE1-CB 4.28Å; F91-L93 HydrophobicContact CZ-CB 4.46Å |
| 92 | D | 98.4 | Very high | 97.4 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.5 | 174.4 | -78.7 | -12.2 | 0 | 0 | 0 | 109.8 | Y24 T49 K51 L148 | Y24-D92 PolarHBondContact OH-OD1 3.35Å; T49-D92 HydrophobicContact CG2-CB 4.33Å; K51-D92 WeakPolarHBondContact CG-OD1 3.27Å; K51-D92 IonicContact NZ-OD1 3.52Å; K51-D92 PolarHBondContact NZ-OD1 2.97Å; K51-D92 IonicContact NZ-OD2 3.81Å; K51-D92 PolarHBondContact NZ-OD2 3.37Å; D92-L148 HydrophobicContact CB-CD1 3.85Å; D92-L148 HydrophobicContact CB-CG 4.37Å |
| 93 | L | 97.9 | Very high | 97.3 | Very high | 37 Ų | 37 | 40 Ų | 40 | 19% | 0.194 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 104 | 167 | 178.4 | 62.7 | 0 | 0 | 0 | 108.8 | T49 L50 F52 V76 F91 V95 | T49-L93 WeakPolarHBondContact CA-O 3.42Å; L50-L93 HydrophobicContact CB-CB 4.36Å; L50-L93 HydrophobicContact CD1-CD2 4.43Å; L50-L93 PolarHBondContact N-O 2.6Å; L50-L93 PolarHBondContact O-N 3.24Å; F52-L93 HydrophobicContact CE2-CB 4.29Å; V76-L93 HydrophobicContact CB-CD2 3.92Å; V76-L93 HydrophobicContact CG1-CD2 3.53Å; F91-L93 HydrophobicContact CE1-CB 4.28Å; F91-L93 HydrophobicContact CZ-CB 4.46Å; L93-V95 HydrophobicContact CD1-CG2 4.44Å; L93-V95 HydrophobicContact CG-CG2 4.05Å |
| 94 | N | 98 | Very high | 97.3 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 19% | 0.193 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.9 | 177.1 | -66.5 | -39.8 | 0 | 0 | 0 | 110.2 | I47 T49 I142 Q147 | I47-N94 HydrophobicContact CG2-CB 4.01Å; T49-N94 WeakPolarHBondContact CB-OD1 3.4Å; T49-N94 WeakPolarHBondContact CG2-OD1 3.13Å; T49-N94 PolarHBondContact OG1-OD1 3.16Å; N94-I142 HydrophobicContact CB-CD1 3.72Å; N94-Q147 PolarHBondContact ND2-OE1 2.72Å |
| 95 | V | 97.5 | Very high | 97.3 | Very high | 14 Ų | 14 | 38 Ų | 38 | 9% | 0.085 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 112 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | L48 L75 L93 L97 I106 | L48-V95 PolarHBondContact N-O 3.42Å; L48-V95 PolarHBondContact O-N 3.1Å; L75-V95 HydrophobicContact CD1-CB 3.93Å; L75-V95 HydrophobicContact CD1-CG1 3.51Å; L75-V95 HydrophobicContact CD1-CG2 3.64Å; L75-V95 HydrophobicContact CD2-CG2 4.04Å; L75-V95 HydrophobicContact CG-CG2 3.87Å; L93-V95 HydrophobicContact CD1-CG2 4.44Å; L93-V95 HydrophobicContact CG-CG2 4.05Å; V95-L97 PolarHBondContact O-N 2.85Å; V95-I106 HydrophobicContact CG1-CG2 3.8Å |
| 96 | P | 97.8 | Very high | 97.3 | Very high | 81 Ų | 81 | 37.8 Ų | 37.8 | 53% | 0.526 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 129.2 | 167.3 | -18.1 | 31.2 | 0 | 0 | 0 | 110.9 | I47 | I47-P96 HydrophobicContact CD1-CB 3.87Å; I47-P96 HydrophobicContact CD1-CG 3.95Å |
| 97 | L | 96.8 | Very high | 97.2 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 146.9 | 174.1 | 68 | 87.8 | 0 | 0 | 0 | 110.2 | Y46 L48 V95 I99 I104 Y105 I106 | Y46-L97 HydrophobicContact CD2-CD1 4.24Å; Y46-L97 HydrophobicContact CG-CD1 4.33Å; Y46-L97 PolarHBondContact N-O 3.3Å; Y46-L97 PolarHBondContact O-N 2.82Å; L48-L97 HydrophobicContact CB-CD2 3.73Å; V95-L97 PolarHBondContact O-N 2.85Å; L97-I99 HydrophobicContact CD1-CD1 3.81Å; L97-I99 HydrophobicContact CD1-CG1 3.62Å; L97-I104 HydrophobicContact CB-CG2 4.34Å; L97-Y105 WeakPolarHBondContact CA-O 3.45Å; L97-I106 HydrophobicContact CB-CD1 4.43Å; L97-I106 HydrophobicContact CB-CG1 3.82Å |
| 98 | K | 97.6 | Very high | 97 | Very high | 79 Ų | 79 | 52.7 Ų | 52.7 | 34% | 0.343 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 134.3 | 171.9 | 177 | -165.8 | -163 | 88.3 | 0 | 108.5 | E45 I104 Y105 | E45-K98 VanDerWaalsContact OE1-CG 3.3Å; E45-K98 WeakPolarHBondContact OE1-CG 3.17Å; E45-K98 IonicContact OE1-NZ 2.67Å; E45-K98 PolarHBondContact OE1-NZ 2.84Å; K98-I104 CarbonylContact O-C 3.51Å; K98-I104 WeakPolarHBondContact O-CA 3.35Å; K98-Y105 HydrophobicContact CB-CD2 4.46Å; K98-Y105 HydrophobicContact CD-CD2 4.3Å; K98-Y105 HydrophobicContact CG-CD2 4.43Å; K98-Y105 PolarHBondContact N-O 3.05Å; K98-Y105 WeakPolarHBondContact O-CD2 3.29Å; K98-Y105 PolarHBondContact O-N 2.81Å |
| 99 | I | 97.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.2 | 170.6 | -65.1 | 170.1 | 0 | 0 | 0 | 108 | I40 D43 G44 Y46 L97 V103 I104 I113 | I40-I99 HydrophobicContact CD1-CD1 3.31Å; I40-I99 HydrophobicContact CG1-CD1 3.94Å; I40-I99 HydrophobicContact CG2-CD1 4.06Å; I40-I99 HydrophobicContact CG2-CG2 4.19Å; D43-I99 WeakPolarHBondContact CA-O 3.26Å; D43-I99 WeakPolarHBondContact CB-O 3.49Å; G44-I99 PolarHBondContact N-O 3.39Å; G44-I99 PolarHBondContact O-N 2.75Å; Y46-I99 HydrophobicContact CD2-CB 4.45Å; Y46-I99 HydrophobicContact CD2-CD1 3.93Å; Y46-I99 HydrophobicContact CD2-CG1 4.26Å; Y46-I99 HydrophobicContact CE2-CB 4.31Å; Y46-I99 HydrophobicContact CE2-CD1 4Å; Y46-I99 HydrophobicContact CE2-CG1 4.47Å; L97-I99 HydrophobicContact CD1-CD1 3.81Å; L97-I99 HydrophobicContact CD1-CG1 3.62Å; I99-V103 WeakPolarHBondContact CA-O 3.36Å; I99-I104 HydrophobicContact CG1-CG1 3.95Å; I99-I113 HydrophobicContact CB-CD1 4.46Å; I99-I113 HydrophobicContact CD1-CD1 4.42Å; I99-I113 HydrophobicContact CG1-CD1 4.2Å; I99-I113 HydrophobicContact CG2-CD1 3.54Å |
| 100 | K | 97.1 | Very high | 96.9 | Very high | 99 Ų | 99 | 60.1 Ų | 60.1 | 43% | 0.43 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 129.4 | 176 | -170.7 | -177.1 | 176.3 | -169.9 | 0 | 110.9 | D43 G102 V103 Y105 | D43-K100 WeakPolarHBondContact OD2-CA 3.32Å; K100-G102 VanDerWaalsContact C-N 3.27Å; K100-G102 PolarHBondContact O-N 2.82Å; K100-V103 PolarHBondContact N-O 2.95Å; K100-V103 PolarHBondContact O-N 2.84Å; K100-Y105 HydrophobicContact CB-CE2 4Å |
| 101 | D | 95.3 | Very high | 96.8 | Very high | 124 Ų | 124 | 60.8 Ų | 60.8 | 66% | 0.663 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 42.6 | 173.5 | -58.4 | -49.9 | 0 | 0 | 0 | 112.8 | D43 V103 | D43-D101 PolarHBondContact OD2-N 2.84Å; D101-V103 VanDerWaalsContact C-N 3.33Å; D101-V103 PolarHBondContact O-N 2.8Å |
| 102 | G | 94.3 | Very high | 96.7 | Very high | 39 Ų | 39 | 64 Ų | 64 | 40% | 0.402 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 14.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | K100 I113 | K100-G102 VanDerWaalsContact C-N 3.27Å; K100-G102 PolarHBondContact O-N 2.82Å; G102-I113 WeakPolarHBondContact O-CB 3.48Å; G102-I113 PolarHBondContact O-N 3.31Å |
| 103 | V | 96.4 | Very high | 96.5 | Very high | 30 Ų | 30 | 64.2 Ų | 64.2 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133 | 179.3 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | I99 K100 D101 Y105 T110 | I99-V103 WeakPolarHBondContact CA-O 3.36Å; K100-V103 PolarHBondContact N-O 2.95Å; K100-V103 PolarHBondContact O-N 2.84Å; D101-V103 VanDerWaalsContact C-N 3.33Å; D101-V103 PolarHBondContact O-N 2.8Å; V103-Y105 HydrophobicContact CB-CD2 4.48Å; V103-Y105 HydrophobicContact CB-CE2 3.71Å; V103-Y105 HydrophobicContact CG1-CD2 4.17Å; V103-Y105 HydrophobicContact CG1-CE1 4.29Å; V103-Y105 HydrophobicContact CG1-CE2 3.67Å; V103-Y105 WeakPolarHBondContact O-CD2 3.37Å; V103-Y105 WeakPolarHBondContact O-CE2 3.39Å; V103-T110 HydrophobicContact CG1-CG2 4.35Å |
| 104 | I | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 130.5 | 167.6 | -72.2 | 163.9 | 0 | 0 | 0 | 108.7 | I69 L97 K98 I99 I106 T110 V111 I113 F118 | I69-I104 HydrophobicContact CG2-CD1 4.06Å; L97-I104 HydrophobicContact CB-CG2 4.34Å; K98-I104 CarbonylContact O-C 3.51Å; K98-I104 WeakPolarHBondContact O-CA 3.35Å; I99-I104 HydrophobicContact CG1-CG1 3.95Å; I104-I106 HydrophobicContact CG2-CD1 3.92Å; I104-I106 HydrophobicContact CG2-CG1 3.73Å; I104-T110 CarbonylContact O-C 3.48Å; I104-T110 WeakPolarHBondContact O-CA 3.41Å; I104-V111 HydrophobicContact CB-CG1 3.99Å; I104-V111 HydrophobicContact CG2-CG1 4.36Å; I104-V111 PolarHBondContact N-O 3.33Å; I104-V111 PolarHBondContact O-N 3.3Å; I104-I113 HydrophobicContact CD1-CD1 4.24Å; I104-I113 HydrophobicContact CD1-CG1 3.81Å; I104-I113 HydrophobicContact CG1-CD1 3.77Å; I104-I113 HydrophobicContact CG1-CG1 3.64Å; I104-F118 HydrophobicContact CD1-CB 3.41Å; I104-F118 VanDerWaalsContact CD1-CB 3.41Å; I104-F118 HydrophobicContact CD1-CD1 3.76Å; I104-F118 HydrophobicContact CD1-CD2 3.91Å; I104-F118 HydrophobicContact CD1-CE1 4.49Å; I104-F118 HydrophobicContact CD1-CG 3.41Å; I104-F118 VanDerWaalsContact CD1-CG 3.41Å |
| 105 | Y | 97.4 | Very high | 95.5 | Very high | 87 Ų | 87 | 73 Ų | 73 | 34% | 0.341 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.2 | 172.9 | -54.9 | -106 | 0 | 0 | 0 | 108.7 | L97 K98 K100 V103 N109 T110 | L97-Y105 WeakPolarHBondContact CA-O 3.45Å; K98-Y105 HydrophobicContact CB-CD2 4.46Å; K98-Y105 HydrophobicContact CD-CD2 4.3Å; K98-Y105 HydrophobicContact CG-CD2 4.43Å; K98-Y105 PolarHBondContact N-O 3.05Å; K98-Y105 WeakPolarHBondContact O-CD2 3.29Å; K98-Y105 PolarHBondContact O-N 2.81Å; K100-Y105 HydrophobicContact CB-CE2 4Å; V103-Y105 HydrophobicContact CB-CD2 4.48Å; V103-Y105 HydrophobicContact CB-CE2 3.71Å; V103-Y105 HydrophobicContact CG1-CD2 4.17Å; V103-Y105 HydrophobicContact CG1-CE1 4.29Å; V103-Y105 HydrophobicContact CG1-CE2 3.67Å; V103-Y105 WeakPolarHBondContact O-CD2 3.37Å; V103-Y105 WeakPolarHBondContact O-CE2 3.39Å; Y105-N109 WeakPolarHBondContact CA-O 3.39Å; Y105-T110 HydrophobicContact CD1-CG2 3.38Å; Y105-T110 HydrophobicContact CE1-CG2 3.68Å; Y105-T110 HydrophobicContact CG-CG2 4.12Å |
| 106 | I | 96.7 | Very high | 95.2 | Very high | 13 Ų | 13 | 77.5 Ų | 77.5 | 7% | 0.067 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 108.8 | 174.9 | -59.3 | 175.8 | 0 | 0 | 0 | 107.4 | I69 L73 L75 V95 L97 I104 E108 N109 | I69-I106 HydrophobicContact CG1-CD1 3.96Å; L73-I106 HydrophobicContact CD2-CB 4.34Å; L73-I106 HydrophobicContact CD2-CD1 3.92Å; L73-I106 HydrophobicContact CD2-CG1 4.31Å; L75-I106 HydrophobicContact CD1-CD1 3.94Å; V95-I106 HydrophobicContact CG1-CG2 3.8Å; L97-I106 HydrophobicContact CB-CD1 4.43Å; L97-I106 HydrophobicContact CB-CG1 3.82Å; I104-I106 HydrophobicContact CG2-CD1 3.92Å; I104-I106 HydrophobicContact CG2-CG1 3.73Å; I106-E108 PolarHBondContact O-N 2.99Å; I106-N109 PolarHBondContact N-O 3.48Å; I106-N109 PolarHBondContact O-N 3.01Å |
| 107 | K | 94.3 | Very high | 95.1 | Very high | 201 Ų | 201 | 76 Ų | 76 | 87% | 0.874 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | -118.6 | -170.8 | -56.3 | 175.4 | -180 | 174 | 0 | 110.4 | ||
| 108 | E | 94.1 | Very high | 95.1 | Very high | 189 Ų | 189 | 75.9 Ų | 75.9 | 88% | 0.883 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -7.4 | 179.1 | -62.1 | 179.3 | -174 | 0 | 0 | 113.1 | I106 | I106-E108 PolarHBondContact O-N 2.99Š|
| 109 | N | 96.5 | Very high | 95.1 | Very high | 89 Ų | 89 | 73 Ų | 73 | 48% | 0.476 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 152.8 | -175.5 | -60.4 | -51.6 | 0 | 0 | 0 | 111.5 | L73 Y105 I106 | L73-N109 HydrophobicContact CD1-CB 3.36Å; L73-N109 HydrophobicContact CD2-CB 4.39Å; Y105-N109 WeakPolarHBondContact CA-O 3.39Å; I106-N109 PolarHBondContact N-O 3.48Å; I106-N109 PolarHBondContact O-N 3.01Å |
| 110 | T | 97 | Very high | 95.1 | Very high | 85 Ų | 85 | 72.9 Ų | 72.9 | 52% | 0.521 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 149.4 | 179.1 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | V103 I104 Y105 | V103-T110 HydrophobicContact CG1-CG2 4.35Å; I104-T110 CarbonylContact O-C 3.48Å; I104-T110 WeakPolarHBondContact O-CA 3.41Å; Y105-T110 HydrophobicContact CD1-CG2 3.38Å; Y105-T110 HydrophobicContact CE1-CG2 3.68Å; Y105-T110 HydrophobicContact CG-CG2 4.12Å |
| 111 | V | 97.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 68.1 Ų | 68.1 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 145.7 | 170.4 | 68.1 | 0 | 0 | 0 | 0 | 111 | I69 Q70 L73 I104 | I69-V111 HydrophobicContact CG2-CG1 3.84Å; Q70-V111 HydrophobicContact CB-CG1 4.24Å; Q70-V111 HydrophobicContact CB-CG2 3.52Å; Q70-V111 HydrophobicContact CG-CG1 4.04Å; Q70-V111 HydrophobicContact CG-CG2 3.93Å; L73-V111 HydrophobicContact CB-CB 4.24Å; L73-V111 HydrophobicContact CB-CG1 4.24Å; L73-V111 HydrophobicContact CD2-CB 4.13Å; L73-V111 HydrophobicContact CD2-CG1 3.73Å; I104-V111 HydrophobicContact CB-CG1 3.99Å; I104-V111 HydrophobicContact CG2-CG1 4.36Å; I104-V111 PolarHBondContact N-O 3.33Å; I104-V111 PolarHBondContact O-N 3.3Å |
| 112 | T | 96.5 | Very high | 95.3 | Very high | 97 Ų | 97 | 62.2 Ų | 62.2 | 60% | 0.595 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 138.5 | 178.7 | 50.2 | 0 | 0 | 0 | 0 | 110.9 | Q70 | Q70-T112 PolarHBondContact NE2-O 3.16Å |
| 113 | I | 94.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 13% | 0.133 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 143.5 | 174.5 | -57.9 | 176.4 | 0 | 0 | 0 | 108.5 | I40 I99 G102 I104 H117 F118 | I40-I113 HydrophobicContact CG1-CD1 4.47Å; I40-I113 HydrophobicContact CG1-CG2 4.48Å; I99-I113 HydrophobicContact CB-CD1 4.46Å; I99-I113 HydrophobicContact CD1-CD1 4.42Å; I99-I113 HydrophobicContact CG1-CD1 4.2Å; I99-I113 HydrophobicContact CG2-CD1 3.54Å; G102-I113 WeakPolarHBondContact O-CB 3.48Å; G102-I113 PolarHBondContact O-N 3.31Å; I104-I113 HydrophobicContact CD1-CD1 4.24Å; I104-I113 HydrophobicContact CD1-CG1 3.81Å; I104-I113 HydrophobicContact CG1-CD1 3.77Å; I104-I113 HydrophobicContact CG1-CG1 3.64Å; I113-H117 WeakPolarHBondContact CG2-O 3.07Å; I113-F118 HydrophobicContact CG2-CB 4.49Å |
| 114 | D | 89.7 | Confident | 95.6 | Very high | 80 Ų | 80 | 63.1 Ų | 63.1 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -81.1 | 139.4 | 169.4 | -60.3 | -43.5 | 0 | 0 | 0 | 108.9 | Q70 D116 H117 | Q70-D114 PolarHBondContact NE2-OD2 3.47Å; Q70-D114 PolarHBondContact OE1-OD2 2.74Å; D114-D116 PolarHBondContact O-N 3.13Å; D114-H117 PolarHBondContact N-O 3.16Å; D114-H117 VanDerWaalsContact N-O 3.13Å; D114-H117 PolarHBondContact O-N 2.75Å |
| 115 | D | 84.8 | Confident | 95.6 | Very high | 179 Ų | 179 | 64.4 Ų | 64.4 | 96% | 0.957 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 7.1 | -72.9 | -179.2 | -64.5 | -21.3 | 0 | 0 | 0 | 117.8 | ||
| 116 | D | 90.8 | Very high | 95.6 | Very high | 107 Ų | 107 | 68.9 Ų | 68.9 | 57% | 0.572 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | 3.8 | -176.5 | 67.5 | -11.2 | 0 | 0 | 0 | 116 | P39 I40 D114 | P39-D116 WeakPolarHBondContact CA-O 3.3Å; I40-D116 PolarHBondContact N-O 3.09Å; D114-D116 PolarHBondContact O-N 3.13Å |
| 117 | H | 95.8 | Very high | 95.4 | Very high | 51 Ų | 51 | 72.5 Ų | 72.5 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 163.9 | -176.3 | 67.6 | -82.5 | 0 | 0 | 0 | 113.9 | P37 I38 I113 D114 | P37-H117 HydrophobicContact CB-CB 4.33Å; P37-H117 WeakPolarHBondContact CB-CD2 3.47Å; I38-H117 VanDerWaalsContact O-CA 3.28Å; I38-H117 WeakPolarHBondContact O-CA 3.29Å; I38-H117 VanDerWaalsContact O-CB 3.28Å; I38-H117 WeakPolarHBondContact O-CB 3.14Å; I113-H117 WeakPolarHBondContact CG2-O 3.07Å; D114-H117 PolarHBondContact N-O 3.16Å; D114-H117 VanDerWaalsContact N-O 3.13Å; D114-H117 PolarHBondContact O-N 2.75Å |
| 118 | F | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 157.5 | 163.3 | 71 | -86.9 | 0 | 0 | 0 | 110.2 | I38 I40 L48 I69 Q70 I104 I113 V120 | I38-F118 HydrophobicContact CB-CD1 4.05Å; I38-F118 HydrophobicContact CB-CD2 4.36Å; I38-F118 HydrophobicContact CB-CE1 3.64Å; I38-F118 HydrophobicContact CB-CE2 4Å; I38-F118 HydrophobicContact CB-CG 4.4Å; I38-F118 HydrophobicContact CB-CZ 3.64Å; I38-F118 HydrophobicContact CG1-CE2 4.01Å; I38-F118 HydrophobicContact CG1-CZ 4.01Å; I38-F118 HydrophobicContact CG2-CD1 4.34Å; I38-F118 HydrophobicContact CG2-CE1 3.52Å; I38-F118 HydrophobicContact CG2-CE2 4.39Å; I38-F118 HydrophobicContact CG2-CZ 3.57Å; I38-F118 PolarHBondContact N-O 3.04Å; I38-F118 PolarHBondContact O-N 3.34Å; I38-F118 VanDerWaalsContact O-N 3.08Å; I40-F118 HydrophobicContact CD1-CD1 3.45Å; I40-F118 VanDerWaalsContact CD1-CD1 3.45Å; I40-F118 HydrophobicContact CD1-CE1 3.38Å; I40-F118 HydrophobicContact CG1-CD1 3.75Å; I40-F118 HydrophobicContact CG1-CE1 4.22Å; L48-F118 HydrophobicContact CD2-CE2 4.42Å; I69-F118 HydrophobicContact CD1-CD2 4.04Å; I69-F118 HydrophobicContact CD1-CE2 3.8Å; I69-F118 HydrophobicContact CG2-CD2 3.98Å; Q70-F118 HydrophobicContact CG-CB 4.28Å; I104-F118 HydrophobicContact CD1-CB 3.41Å; I104-F118 VanDerWaalsContact CD1-CB 3.41Å; I104-F118 HydrophobicContact CD1-CD1 3.76Å; I104-F118 HydrophobicContact CD1-CD2 3.91Å; I104-F118 HydrophobicContact CD1-CE1 4.49Å; I104-F118 HydrophobicContact CD1-CG 3.41Å; I104-F118 VanDerWaalsContact CD1-CG 3.41Å; I113-F118 HydrophobicContact CG2-CB 4.49Å; F118-V120 HydrophobicContact CD2-CG2 4.38Å; F118-V120 HydrophobicContact CE2-CG2 3.7Å |
| 119 | T | 97.4 | Very high | 95.6 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 141.4 | 175.8 | 66 | 0 | 0 | 0 | 0 | 112.1 | Y36 I69 Q70 D121 | Y36-T119 WeakPolarHBondContact O-CA 3.42Å; I69-T119 WeakPolarHBondContact CA-O 3.38Å; Q70-T119 WeakPolarHBondContact CA-OG1 3.28Å; Q70-T119 PolarHBondContact N-O 2.84Å; Q70-T119 VanDerWaalsContact N-O 3.1Å; Q70-T119 PolarHBondContact N-OG1 2.95Å; Q70-T119 PolarHBondContact OE1-OG1 3.17Å; T119-D121 VanDerWaalsContact CB-OD1 3.28Å; T119-D121 WeakPolarHBondContact CB-OD1 3.31Å; T119-D121 VanDerWaalsContact OG1-CG 3.27Å; T119-D121 PolarHBondContact OG1-OD1 3.4Å; T119-D121 PolarHBondContact OG1-OD2 2.96Å |
| 120 | V | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 117.7 | 158.7 | -179.3 | 0 | 0 | 0 | 0 | 106.9 | S35 Y36 I38 L48 L50 V67 I69 F118 F122 I135 | S35-V120 VanDerWaalsContact CA-O 3.31Å; S35-V120 WeakPolarHBondContact CA-O 3.24Å; Y36-V120 PolarHBondContact N-O 3.25Å; Y36-V120 PolarHBondContact O-N 2.61Å; I38-V120 HydrophobicContact CD1-CG2 4.43Å; I38-V120 HydrophobicContact CG1-CG2 3.75Å; L48-V120 HydrophobicContact CD1-CG2 4.28Å; L48-V120 HydrophobicContact CD2-CG2 3.94Å; L50-V120 HydrophobicContact CD1-CG1 4.31Å; L50-V120 HydrophobicContact CD2-CG1 4.11Å; V67-V120 HydrophobicContact CG1-CG1 3.74Å; I69-V120 HydrophobicContact CD1-CB 4.49Å; I69-V120 HydrophobicContact CD1-CG2 3.82Å; F118-V120 HydrophobicContact CD2-CG2 4.38Å; F118-V120 HydrophobicContact CE2-CG2 3.7Å; V120-F122 HydrophobicContact CB-CE2 4.49Å; V120-F122 HydrophobicContact CG1-CE2 3.8Å; V120-F122 HydrophobicContact CG1-CZ 3.83Å; V120-I135 HydrophobicContact CB-CD1 4.46Å |
| 121 | D | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127.8 | -171.1 | -45.9 | -74 | 0 | 0 | 0 | 109.9 | S35 V67 H68 Q70 N71 T119 I123 | S35-D121 WeakPolarHBondContact CB-OD1 3.4Å; S35-D121 PolarHBondContact OG-OD1 3.09Å; V67-D121 CarbonylContact C-O 3.44Å; V67-D121 VanDerWaalsContact CA-O 3.25Å; V67-D121 WeakPolarHBondContact CA-O 3.3Å; H68-D121 HydrophobicContact CB-CB 4.31Å; H68-D121 PolarHBondContact N-O 3.34Å; H68-D121 PolarHBondContact O-N 2.68Å; Q70-D121 PolarHBondContact N-OD2 2.84Å; Q70-D121 VanDerWaalsContact N-OD2 3.12Å; N71-D121 WeakPolarHBondContact CA-OD2 3.45Å; N71-D121 PolarHBondContact N-OD2 2.76Å; N71-D121 WeakPolarHBondContact OD1-CB 3.15Å; N71-D121 PolarHBondContact OD1-OD1 3.4Å; T119-D121 VanDerWaalsContact CB-OD1 3.28Å; T119-D121 WeakPolarHBondContact CB-OD1 3.31Å; T119-D121 VanDerWaalsContact OG1-CG 3.27Å; T119-D121 PolarHBondContact OG1-OD1 3.4Å; T119-D121 PolarHBondContact OG1-OD2 2.96Å; D121-I123 HydrophobicContact CB-CD1 3.84Å |
| 122 | F | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 109.9 | 177.7 | -60.4 | -92.8 | 0 | 0 | 0 | 108.6 | D33 F34 Y36 F52 F65 V67 V120 P130 I132 I135 | D33-F122 WeakPolarHBondContact CA-O 3.41Å; F34-F122 HydrophobicContact CD1-CB 3.94Å; F34-F122 HydrophobicContact CD2-CB 4.5Å; F34-F122 AromaticContact CD2-CD2 3.97Å; F34-F122 HydrophobicContact CD2-CD2 3.97Å; F34-F122 HydrophobicContact CE1-CB 3.59Å; F34-F122 HydrophobicContact CE1-CD2 4.45Å; F34-F122 HydrophobicContact CE1-CG 4.11Å; F34-F122 HydrophobicContact CE2-CB 4.11Å; F34-F122 AromaticContact CE2-CD2 3.42Å; F34-F122 HydrophobicContact CE2-CD2 3.42Å; F34-F122 VanDerWaalsContact CE2-CD2 3.42Å; F34-F122 HydrophobicContact CE2-CE2 4.06Å; F34-F122 AromaticContact CE2-CG 3.86Å; F34-F122 HydrophobicContact CE2-CG 3.86Å; F34-F122 HydrophobicContact CG-CB 4.43Å; F34-F122 HydrophobicContact CZ-CB 3.67Å; F34-F122 HydrophobicContact CZ-CD1 4.35Å; F34-F122 AromaticContact CZ-CD2 3.74Å; F34-F122 HydrophobicContact CZ-CD2 3.74Å; F34-F122 AromaticContact CZ-CG 3.65Å; F34-F122 HydrophobicContact CZ-CG 3.65Å; F34-F122 PolarHBondContact N-O 2.97Å; F34-F122 VanDerWaalsContact N-O 3.1Å; F34-F122 PolarHBondContact O-N 2.78Å; Y36-F122 HydrophobicContact CD2-CE2 4.11Å; F52-F122 AromaticContact CE1-CE1 3.99Å; F52-F122 HydrophobicContact CE1-CE1 3.99Å; F52-F122 HydrophobicContact CZ-CE1 4.08Å; F65-F122 HydrophobicContact CD2-CD1 4.39Å; F65-F122 AromaticContact CE2-CD1 3.98Å; F65-F122 HydrophobicContact CE2-CD1 3.98Å; V67-F122 HydrophobicContact CG1-CD1 4.48Å; V67-F122 HydrophobicContact CG1-CE1 4.3Å; V67-F122 HydrophobicContact CG2-CD1 3.89Å; V67-F122 HydrophobicContact CG2-CE1 4Å; V120-F122 HydrophobicContact CB-CE2 4.49Å; V120-F122 HydrophobicContact CG1-CE2 3.8Å; V120-F122 HydrophobicContact CG1-CZ 3.83Å; F122-P130 HydrophobicContact CB-CB 3.74Å; F122-P130 HydrophobicContact CB-CG 4.35Å; F122-I132 HydrophobicContact CD1-CB 4.41Å; F122-I132 HydrophobicContact CE1-CB 3.68Å; F122-I132 HydrophobicContact CE1-CD1 3.8Å; F122-I132 HydrophobicContact CE1-CG1 3.97Å; F122-I132 HydrophobicContact CE1-CG2 4.46Å; F122-I132 HydrophobicContact CE2-CB 4.22Å; F122-I132 HydrophobicContact CE2-CG1 4.45Å; F122-I132 HydrophobicContact CE2-CG2 4.16Å; F122-I132 HydrophobicContact CZ-CB 3.57Å; F122-I132 HydrophobicContact CZ-CD1 3.75Å; F122-I132 HydrophobicContact CZ-CG1 3.58Å; F122-I132 HydrophobicContact CZ-CG2 4.01Å; F122-I135 HydrophobicContact CE2-CD1 4.18Å; F122-I135 HydrophobicContact CZ-CD1 4.25Å |
| 123 | I | 98.2 | Very high | 96 | Very high | 24 Ų | 24 | 42 Ų | 42 | 12% | 0.123 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.4 | -168.5 | -46.8 | -57.5 | 0 | 0 | 0 | 109.4 | D33 F65 N66 D121 | D33-I123 HydrophobicContact CB-CD1 4.43Å; D33-I123 WeakPolarHBondContact OD1-CA 3.2Å; F65-I123 WeakPolarHBondContact CB-O 3.26Å; N66-I123 HydrophobicContact CB-CB 4.11Å; N66-I123 PolarHBondContact N-O 2.71Å; N66-I123 PolarHBondContact O-N 3.35Å; D121-I123 HydrophobicContact CB-CD1 3.84Å |
| 124 | K | 97.8 | Very high | 96.1 | Very high | 63 Ų | 63 | 42 Ų | 42 | 27% | 0.274 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 142.9 | 176.4 | 179.7 | 163.2 | -178.3 | 153.7 | 0 | 110.3 | N31 D33 N129 P130 | N31-K124 WeakPolarHBondContact O-CD 3.34Å; N31-K124 WeakPolarHBondContact O-CE 3.41Å; N31-K124 PolarHBondContact O-NZ 2.77Å; D33-K124 WeakPolarHBondContact OD1-CB 3.14Å; D33-K124 PolarHBondContact OD1-N 3.09Å; K124-N129 PolarHBondContact NZ-OD1 2.63Å; K124-P130 HydrophobicContact CB-CG 4.21Å |
| 125 | T | 97.5 | Very high | 96.5 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 17% | 0.172 | 21% | 0.206 | C | C | . | . | trans | -116.1 | -172.1 | 171.2 | 75 | 0 | 0 | 0 | 0 | 109.9 | V64 F127 | V64-T125 PolarHBondContact O-OG1 2.78Å; T125-F127 PolarHBondContact O-N 3.25Å; T125-F127 WeakPolarHBondContact OG1-CD2 3.36Å; T125-F127 PolarHBondContact OG1-N 3.18Å | ||
| 126 | Q | 96.1 | Very high | 97.1 | Very high | 181 Ų | 181 | 34.6 Ų | 34.6 | 85% | 0.846 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -67.2 | -11.6 | 177 | 68.1 | -174 | -35.5 | 0 | 0 | 115 | ||
| 127 | F | 94.3 | Very high | 97.4 | Very high | 88 Ų | 88 | 32.2 Ų | 32.2 | 39% | 0.386 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -82.2 | -95 | -176.8 | -63.4 | -83.3 | 0 | 0 | 0 | 110.6 | Y61 V64 T125 | Y61-F127 WeakPolarHBondContact O-CD1 3.42Å; Y61-F127 WeakPolarHBondContact O-CE1 3.25Å; V64-F127 HydrophobicContact CB-CB 4.01Å; V64-F127 HydrophobicContact CB-CD2 3.47Å; V64-F127 VanDerWaalsContact CB-CD2 3.47Å; V64-F127 HydrophobicContact CB-CE2 4.03Å; V64-F127 HydrophobicContact CB-CG 3.84Å; V64-F127 HydrophobicContact CG1-CD2 4.08Å; V64-F127 HydrophobicContact CG1-CE2 4.26Å; V64-F127 HydrophobicContact CG2-CB 4.26Å; V64-F127 HydrophobicContact CG2-CD1 4.31Å; V64-F127 HydrophobicContact CG2-CD2 3.84Å; V64-F127 HydrophobicContact CG2-CE2 4.15Å; V64-F127 HydrophobicContact CG2-CG 3.88Å; T125-F127 PolarHBondContact O-N 3.25Å; T125-F127 WeakPolarHBondContact OG1-CD2 3.36Å; T125-F127 PolarHBondContact OG1-N 3.18Å |
| 128 | D | 95.5 | Very high | 97.5 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -136 | 177.8 | 179.7 | -167.9 | 56.2 | 0 | 0 | 0 | 112.1 | F57 Q62 K63 | F57-D128 HydrophobicContact CE2-CB 3.88Å; F57-D128 VanDerWaalsContact CE2-OD2 3.29Å; F57-D128 WeakPolarHBondContact CE2-OD2 3.44Å; F57-D128 HydrophobicContact CZ-CB 4.09Å; Q62-D128 VanDerWaalsContact O-CB 3.3Å; Q62-D128 WeakPolarHBondContact O-CB 3.25Å; K63-D128 HydrophobicContact CB-CB 4.18Å; K63-D128 HydrophobicContact CG-CB 4.23Å; K63-D128 IonicContact NZ-OD2 2.77Å; K63-D128 PolarHBondContact NZ-OD2 3.01Å |
| 129 | N | 96.7 | Very high | 97.5 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | trans | -57.8 | 131.3 | -177.2 | -67 | -15.6 | 0 | 0 | 0 | 113.2 | Y29 H30 N31 K63 K124 | Y29-N129 HydrophobicContact CD2-CB 4.43Å; H30-N129 WeakPolarHBondContact O-CB 3.4Å; H30-N129 VanDerWaalsContact O-CG 3.29Å; H30-N129 PolarHBondContact O-OD1 2.71Å; N31-N129 WeakPolarHBondContact CA-OD1 3.25Å; N31-N129 PolarHBondContact OD1-ND2 3.23Å; K63-N129 WeakPolarHBondContact CD-O 3.28Å; K63-N129 PolarHBondContact NZ-O 2.79Å; K124-N129 PolarHBondContact NZ-OD1 2.63Å | ||
| 130 | P | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -61.3 | 151.1 | 170.1 | 21.4 | -28.1 | 0 | 0 | 0 | 111.3 | Y29 H30 F34 F65 F122 K124 | Y29-P130 VanDerWaalsContact CA-O 3.24Å; Y29-P130 WeakPolarHBondContact CA-O 3.33Å; Y29-P130 WeakPolarHBondContact CB-O 3.4Å; H30-P130 PolarHBondContact N-O 2.6Å; H30-P130 WeakPolarHBondContact O-CD 3.44Å; F34-P130 HydrophobicContact CD1-CB 4.35Å; F34-P130 HydrophobicContact CD1-CG 3.89Å; F34-P130 HydrophobicContact CE1-CB 3.67Å; F34-P130 HydrophobicContact CE1-CG 3.65Å; F34-P130 WeakPolarHBondContact CE1-O 3.46Å; F65-P130 HydrophobicContact CB-CB 3.82Å; F65-P130 HydrophobicContact CD1-CB 4.42Å; F65-P130 HydrophobicContact CD2-CB 3.91Å; F65-P130 HydrophobicContact CG-CB 3.81Å; F122-P130 HydrophobicContact CB-CB 3.74Å; F122-P130 HydrophobicContact CB-CG 4.35Å; K124-P130 HydrophobicContact CB-CG 4.21Å | ||
| 131 | K | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 164.7 | 175.3 | 69.6 | 151.7 | -71.8 | 177 | 0 | 112.5 | E27 R28 F52 S53 K63 F65 I81 N133 | E27-K131 WeakPolarHBondContact OE2-CD 3.3Å; E27-K131 WeakPolarHBondContact OE2-CE 3.36Å; E27-K131 IonicContact OE2-NZ 2.7Å; E27-K131 PolarHBondContact OE2-NZ 2.81Å; R28-K131 CarbonylContact O-C 3.53Å; R28-K131 WeakPolarHBondContact O-CA 3.09Å; F52-K131 VanDerWaalsContact CE1-O 3.27Å; F52-K131 WeakPolarHBondContact CE1-O 3.28Å; S53-K131 WeakPolarHBondContact O-CE 3.45Å; S53-K131 PolarHBondContact O-NZ 3.01Å; K63-K131 HydrophobicContact CD-CD 4.39Å; K63-K131 HydrophobicContact CD-CG 3.99Å; F65-K131 HydrophobicContact CE1-CG 4.23Å; F65-K131 HydrophobicContact CZ-CG 4.34Å; F65-K131 WeakPolarHBondContact CZ-O 3.06Å; I81-K131 HydrophobicContact CD1-CD 4Å; I81-K131 HydrophobicContact CD1-CG 3.95Å; K131-N133 WeakPolarHBondContact CE-OD1 3.3Å; K131-N133 PolarHBondContact NZ-ND2 3.36Å; K131-N133 PolarHBondContact NZ-OD1 3.49Å |
| 132 | I | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 143.3 | 169.9 | -174.6 | 64.2 | 0 | 0 | 0 | 109.8 | E27 R28 F34 Y36 L50 K51 F52 F122 A134 I135 | E27-I132 CarbonylContact C-O 3.42Å; E27-I132 VanDerWaalsContact CA-O 3.3Å; E27-I132 WeakPolarHBondContact CA-O 2.97Å; R28-I132 HydrophobicContact CB-CG2 4Å; R28-I132 PolarHBondContact N-O 3.43Å; R28-I132 PolarHBondContact O-N 2.9Å; F34-I132 HydrophobicContact CE2-CG2 3.99Å; F34-I132 HydrophobicContact CZ-CG2 4.17Å; Y36-I132 HydrophobicContact CE2-CG2 4.03Å; L50-I132 HydrophobicContact CB-CD1 4.03Å; K51-I132 WeakPolarHBondContact O-CD1 3.46Å; F52-I132 HydrophobicContact CD1-CD1 3.85Å; F52-I132 HydrophobicContact CE1-CB 4.37Å; F52-I132 HydrophobicContact CE1-CD1 3.32Å; F52-I132 HydrophobicContact CE1-CG1 4.43Å; F52-I132 HydrophobicContact CE2-CD1 4.19Å; F52-I132 HydrophobicContact CG-CD1 4.47Å; F52-I132 HydrophobicContact CZ-CD1 3.52Å; F122-I132 HydrophobicContact CD1-CB 4.41Å; F122-I132 HydrophobicContact CE1-CB 3.68Å; F122-I132 HydrophobicContact CE1-CD1 3.8Å; F122-I132 HydrophobicContact CE1-CG1 3.97Å; F122-I132 HydrophobicContact CE1-CG2 4.46Å; F122-I132 HydrophobicContact CE2-CB 4.22Å; F122-I132 HydrophobicContact CE2-CG1 4.45Å; F122-I132 HydrophobicContact CE2-CG2 4.16Å; F122-I132 HydrophobicContact CZ-CB 3.57Å; F122-I132 HydrophobicContact CZ-CD1 3.75Å; F122-I132 HydrophobicContact CZ-CG1 3.58Å; F122-I132 HydrophobicContact CZ-CG2 4.01Å; I132-A134 WeakPolarHBondContact CD1-O 3.22Å; I132-I135 HydrophobicContact CD1-CG1 4.42Å; I132-I135 HydrophobicContact CG1-CG1 3.92Å |
| 133 | N | 98.7 | Very high | 97.4 | Very high | 18 Ų | 18 | 49.8 Ų | 49.8 | 10% | 0.096 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -93.6 | -48.1 | 172.7 | -64.1 | 86.7 | 0 | 0 | 0 | 111.6 | I23 Y24 T26 K51 F52 S53 K131 | I23-N133 WeakPolarHBondContact O-CB 3.26Å; Y24-N133 PolarHBondContact O-ND2 2.91Å; T26-N133 WeakPolarHBondContact O-CB 3.43Å; T26-N133 PolarHBondContact O-ND2 3.42Å; K51-N133 WeakPolarHBondContact O-CA 3.11Å; K51-N133 VanDerWaalsContact O-CB 3.26Å; K51-N133 WeakPolarHBondContact O-CB 3.43Å; K51-N133 PolarHBondContact O-N 2.84Å; F52-N133 VanDerWaalsContact C-OD1 3.25Å; F52-N133 WeakPolarHBondContact CA-OD1 3.4Å; S53-N133 PolarHBondContact N-OD1 3.03Å; S53-N133 PolarHBondContact OG-ND2 2.88Å; S53-N133 PolarHBondContact OG-OD1 3.32Å; K131-N133 WeakPolarHBondContact CE-OD1 3.3Å; K131-N133 PolarHBondContact NZ-ND2 3.36Å; K131-N133 PolarHBondContact NZ-OD1 3.49Å |
| 134 | A | 98.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 155.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I23 K51 I132 | I23-A134 HydrophobicContact CG2-CB 3.97Å; K51-A134 HydrophobicContact CB-CB 4.03Å; K51-A134 HydrophobicContact CD-CB 4.09Å; K51-A134 HydrophobicContact CG-CB 4.18Å; K51-A134 PolarHBondContact N-O 3.32Å; K51-A134 PolarHBondContact O-N 3.39Å; I132-A134 WeakPolarHBondContact CD1-O 3.22Å |
| 135 | I | 98.2 | Very high | 97.3 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.2 | 173 | -56.1 | 175.9 | 0 | 0 | 0 | 107.3 | Y36 I38 L48 L50 V120 F122 I132 | Y36-I135 HydrophobicContact CD2-CD1 3.88Å; Y36-I135 HydrophobicContact CG-CD1 4.17Å; I38-I135 HydrophobicContact CD1-CD1 4.25Å; I38-I135 HydrophobicContact CD1-CG2 3.87Å; L48-I135 HydrophobicContact CD1-CG2 3.72Å; L50-I135 HydrophobicContact CD2-CB 4.39Å; L50-I135 HydrophobicContact CD2-CG1 3.98Å; L50-I135 HydrophobicContact CD2-CG2 3.99Å; V120-I135 HydrophobicContact CB-CD1 4.46Å; F122-I135 HydrophobicContact CE2-CD1 4.18Å; F122-I135 HydrophobicContact CZ-CD1 4.25Å; I132-I135 HydrophobicContact CD1-CG1 4.42Å; I132-I135 HydrophobicContact CG1-CG1 3.92Å |
| 136 | V | 97.4 | Very high | 97.1 | Very high | 58 Ų | 58 | 54.6 Ų | 54.6 | 35% | 0.352 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 135.6 | 177.4 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | T49 | T49-V136 PolarHBondContact N-O 3.1Å; T49-V136 PolarHBondContact O-N 2.93Å |
| 137 | V | 97 | Very high | 97.1 | Very high | 56 Ų | 56 | 51.1 Ų | 51.1 | 34% | 0.339 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 112 | 171.8 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | I38 Y46 L48 | I38-V137 HydrophobicContact CG2-CG2 3.53Å; Y46-V137 HydrophobicContact CD1-CG1 3.58Å; Y46-V137 HydrophobicContact CE1-CG1 4.23Å; Y46-V137 HydrophobicContact CG-CG1 4.3Å; L48-V137 HydrophobicContact CD1-CG2 3.97Å |
| 138 | T | 97.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.2 | 177.5 | -58.3 | 0 | 0 | 0 | 0 | 108.8 | Y46 I47 D144 V145 | Y46-T138 CarbonylContact C-O 3.58Å; Y46-T138 WeakPolarHBondContact CA-O 3.43Å; I47-T138 PolarHBondContact N-O 3.12Å; I47-T138 PolarHBondContact O-N 3.35Å; T138-D144 HydrophobicContact CG2-CB 4.02Å; T138-V145 HydrophobicContact CG2-CG2 4.15Å |
| 139 | K | 97.1 | Very high | 97.2 | Very high | 121 Ų | 121 | 51.5 Ų | 51.5 | 53% | 0.526 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 126.7 | 170.8 | -170.3 | 172 | -172.2 | 166.3 | 0 | 108.9 | S42 D43 Y46 | S42-K139 PolarHBondContact OG-NZ 3.15Å; D43-K139 PolarHBondContact O-NZ 2.83Å; Y46-K139 HydrophobicContact CD1-CB 3.88Å; Y46-K139 HydrophobicContact CD1-CG 4.21Å; Y46-K139 HydrophobicContact CE1-CB 3.61Å; Y46-K139 HydrophobicContact CE1-CD 4.16Å; Y46-K139 HydrophobicContact CE1-CG 3.75Å |
| 140 | G | 97 | Very high | 96.9 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 129.3 | -148.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E45 D144 | E45-G140 CarbonylContact C-O 3.43Å; E45-G140 PolarHBondContact O-N 3.07Å; G140-D144 WeakPolarHBondContact CA-OD2 3.48Å |
| 141 | S | 97.5 | Very high | 96.5 | Very high | 53 Ų | 53 | 60.5 Ų | 60.5 | 37% | 0.371 | 34% | 0.343 | S | S | . | . | trans | -118 | -178.1 | -177.5 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | I47 E143 D144 | I47-S141 VanDerWaalsContact CG1-C 3.5Å; I47-S141 WeakPolarHBondContact CG1-O 3.33Å; S141-E143 WeakPolarHBondContact CB-OE2 3.26Å; S141-E143 PolarHBondContact O-N 2.93Å; S141-E143 PolarHBondContact OG-OE2 3.12Å; S141-D144 PolarHBondContact N-OD2 3.32Å; S141-D144 WeakPolarHBondContact O-CB 3.34Å; S141-D144 PolarHBondContact O-N 3.46Å; S141-D144 VanDerWaalsContact O-N 3.07Å | ||
| 142 | I | 97.3 | Very high | 95.6 | Very high | 63 Ų | 63 | 68.8 Ų | 68.8 | 32% | 0.323 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -63.9 | -25.6 | -174.4 | -171.8 | 59.8 | 0 | 0 | 0 | 112.5 | I47 N94 D144 V145 Q147 | I47-I142 HydrophobicContact CD1-CB 4.37Å; I47-I142 HydrophobicContact CG2-CD1 4.42Å; N94-I142 HydrophobicContact CB-CD1 3.72Å; I142-D144 PolarHBondContact O-N 3.1Å; I142-V145 HydrophobicContact CD1-CB 4.49Å; I142-V145 PolarHBondContact O-N 3.33Å; I142-Q147 PolarHBondContact O-NE2 3.32Å |
| 143 | E | 97.3 | Very high | 93.8 | Very high | 149 Ų | 149 | 78.2 Ų | 78.2 | 70% | 0.696 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -66.8 | -23.3 | 176.5 | -60.7 | 75.6 | -166.4 | 0 | 0 | 112.6 | S141 V145 | S141-E143 WeakPolarHBondContact CB-OE2 3.26Å; S141-E143 PolarHBondContact O-N 2.93Å; S141-E143 PolarHBondContact OG-OE2 3.12Å; E143-V145 VanDerWaalsContact C-N 3.3Å |
| 144 | D | 97 | Very high | 91.5 | Very high | 94 Ų | 94 | 83.1 Ų | 83.1 | 50% | 0.503 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -83.9 | -6.3 | 177.2 | -59 | -54.9 | 0 | 0 | 0 | 112.6 | T138 G140 S141 I142 | T138-D144 HydrophobicContact CG2-CB 4.02Å; G140-D144 WeakPolarHBondContact CA-OD2 3.48Å; S141-D144 PolarHBondContact N-OD2 3.32Å; S141-D144 WeakPolarHBondContact O-CB 3.34Å; S141-D144 PolarHBondContact O-N 3.46Å; S141-D144 VanDerWaalsContact O-N 3.07Å; I142-D144 PolarHBondContact O-N 3.1Å |
| 145 | V | 97.2 | Very high | 88.5 | Confident | 10 Ų | 10 | 90.1 Ų | 90.1 | 6% | 0.061 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -101.7 | 124.5 | -178.7 | 179.6 | 0 | 0 | 0 | 0 | 110.3 | I47 T138 I142 E143 Q147 | I47-V145 HydrophobicContact CB-CG2 3.68Å; I47-V145 HydrophobicContact CG1-CG2 3.86Å; I47-V145 HydrophobicContact CG2-CG2 3.78Å; T138-V145 HydrophobicContact CG2-CG2 4.15Å; I142-V145 HydrophobicContact CD1-CB 4.49Å; I142-V145 PolarHBondContact O-N 3.33Å; E143-V145 VanDerWaalsContact C-N 3.3Å; V145-Q147 PolarHBondContact O-N 3.09Å; V145-Q147 PolarHBondContact O-NE2 3.11Å |
| 146 | P | 94.8 | Very high | 85.2 | Confident | 112 Ų | 112 | 94.7 Ų | 94.7 | 73% | 0.727 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 124.9 | 171.3 | -24.6 | 34.1 | 0 | 0 | 0 | 111.4 | ||
| 147 | Q | 95.9 | Very high | 82.3 | Confident | 108 Ų | 108 | 100.9 Ų | 100.9 | 51% | 0.505 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -95.3 | 137.3 | -177.5 | -59.8 | -58 | -52.7 | 0 | 0 | 111.4 | N94 I142 V145 | N94-Q147 PolarHBondContact ND2-OE1 2.72Å; I142-Q147 PolarHBondContact O-NE2 3.32Å; V145-Q147 PolarHBondContact O-N 3.09Å; V145-Q147 PolarHBondContact O-NE2 3.11Å |
| 148 | L | 96.2 | Very high | 79.4 | Confident | 30 Ų | 30 | 105.1 Ų | 105.1 | 16% | 0.157 | 55% | 0.554 | C | S | . | * | P | Polyproline II helix | trans | -62.7 | 143.1 | 169.1 | -67 | 174.6 | 0 | 0 | 0 | 110.2 | R15 V16 A90 D92 | R15-L148 WeakPolarHBondContact O-CD2 3.45Å; V16-L148 HydrophobicContact CG1-CD2 3.49Å; V16-L148 VanDerWaalsContact CG1-CD2 3.49Å; A90-L148 HydrophobicContact CB-CD1 3.91Å; A90-L148 HydrophobicContact CB-CD2 3.97Å; D92-L148 HydrophobicContact CB-CD1 3.85Å; D92-L148 HydrophobicContact CB-CG 4.37Å |
| 149 | P | 94.6 | Very high | 76.3 | Confident | 74 Ų | 74 | 113.1 Ų | 113.1 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -52.6 | 151.1 | 167.8 | -23.1 | 33.5 | 0 | 0 | 0 | 111.6 | R15 | R15-P149 VanDerWaalsContact CZ-O 3.26Å; R15-P149 PolarHBondContact NE-O 2.95Å; R15-P149 PolarHBondContact NH2-O 2.83Å; R15-P149 WeakPolarHBondContact O-CD 3.29Å |
| 150 | P | 91.4 | Very high | 73.4 | Confident | 113 Ų | 113 | 115.3 Ų | 115.3 | 73% | 0.734 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 150.8 | 175.9 | -24.3 | 34 | 0 | 0 | 0 | 112.3 | E152 | P150-E152 PolarHBondContact O-N 2.75Š|
| 151 | L | 89.3 | Confident | 70.6 | Confident | 82 Ų | 82 | 117.7 Ų | 117.7 | 43% | 0.429 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -64.4 | 126.1 | 169 | -73.9 | 161.2 | 0 | 0 | 0 | 108.9 | V85 T89 K153 | V85-L151 HydrophobicContact CB-CD2 4.16Å; V85-L151 HydrophobicContact CG1-CD1 4.25Å; V85-L151 HydrophobicContact CG1-CD2 4.11Å; T89-L151 HydrophobicContact CG2-CD2 4.18Å; L151-K153 PolarHBondContact O-N 3.36Å |
| 152 | E | 78.9 | Confident | 67.9 | Low | 173 Ų | 173 | 123 Ų | 123 | 81% | 0.808 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 127 | 167.2 | -66.8 | -175.8 | 178.9 | 0 | 0 | 107.9 | P150 V154 | P150-E152 PolarHBondContact O-N 2.75Å; E152-V154 VanDerWaalsContact C-N 3.32Å; E152-V154 PolarHBondContact O-N 2.6Å |
| 153 | K | 62 | Low | 65.1 | Low | 203 Ų | 203 | 127.4 Ų | 127.4 | 88% | 0.883 | 66% | 0.661 | S | S | * | * | trans | -70 | 96.7 | 173.1 | -69 | -179 | -178.4 | 178 | 0 | 106.9 | L151 E155 | L151-K153 PolarHBondContact O-N 3.36Å; K153-E155 PolarHBondContact O-N 2.73Å | ||
| 154 | V | 49.3 | Very low | 62.4 | Low | 120 Ų | 120 | 125.6 Ų | 125.6 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | trans | -66.5 | 103.6 | 167.5 | -177.3 | 0 | 0 | 0 | 0 | 106.2 | E152 T156 | E152-V154 VanDerWaalsContact C-N 3.32Å; E152-V154 PolarHBondContact O-N 2.6Å; V154-T156 PolarHBondContact O-N 2.89Å | ||
| 155 | E | 35.3 | Very low | 59.7 | Low | 174 Ų | 174 | 130.2 Ų | 130.2 | 81% | 0.813 | 68% | 0.681 | S | S | * | * | trans | -53.6 | 120.7 | 159.3 | -67.5 | -173.7 | 163.9 | 0 | 0 | 105.9 | K153 F157 | K153-E155 PolarHBondContact O-N 2.73Å; E155-F157 PolarHBondContact O-N 2.92Å | ||
| 156 | T | 30.3 | Very low | 57.1 | Low | 141 Ų | 141 | 139.2 Ų | 139.2 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | trans | -42.1 | 97.4 | -178.4 | 33.6 | 0 | 0 | 0 | 0 | 110.7 | V154 | V154-T156 PolarHBondContact O-N 2.89Š| ||
| 157 | F | 35.7 | Very low | 54.6 | Low | 188 Ų | 188 | 141 Ų | 141 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | trans | -99.2 | 122.6 | 165.1 | -128.5 | -94.7 | 0 | 0 | 0 | 105.8 | E155 | E155-F157 PolarHBondContact O-N 2.92Š| ||
| 158 | D | 35.4 | Very low | 51.6 | Low | 145 Ų | 145 | 140.4 Ų | 140.4 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | trans | -45.9 | 143.1 | -174.9 | -68.2 | -54.2 | 0 | 0 | 0 | 112.6 | Q160 | D158-Q160 PolarHBondContact O-N 3.29Š| ||
| 159 | Q | 33.5 | Very low | 49.1 | Very low | 200 Ų | 200 | 146.9 Ų | 146.9 | 94% | 0.935 | 76% | 0.764 | S | S | * | * | trans | -38.6 | 90.4 | 175.7 | -66.3 | 167.5 | -17 | 0 | 0 | 112.3 | A161 | Q159-A161 PolarHBondContact O-N 3.12Š| ||
| 160 | Q | 34.9 | Very low | 46.5 | Very low | 167 Ų | 167 | 150.4 Ų | 150.4 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | -86.6 | 98.1 | 155.3 | -80.3 | -178.7 | 0.5 | 0 | 0 | 106.1 | D158 L162 | D158-Q160 PolarHBondContact O-N 3.29Å; Q160-L162 PolarHBondContact O-N 3.07Å | ||
| 161 | A | 39.6 | Very low | 44.3 | Very low | 73 Ų | 73 | 152 Ų | 152 | 60% | 0.603 | 78% | 0.781 | S | S | * | * | trans | -48.2 | 105 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q159 H163 | Q159-A161 PolarHBondContact O-N 3.12Å; A161-H163 PolarHBondContact O-N 3.4Å | ||
| 162 | L | 39 | Very low | 42.1 | Very low | 165 Ų | 165 | 155 Ų | 155 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -69.9 | 85.9 | 162.2 | -112 | 89.1 | 0 | 0 | 0 | 106.2 | Q160 P164 | Q160-L162 PolarHBondContact O-N 3.07Å; L162-P164 WeakPolarHBondContact O-CD 3.33Å | ||
| 163 | H | 39.3 | Very low | 40.4 | Very low | 155 Ų | 155 | 154.6 Ų | 154.6 | 72% | 0.718 | 80% | 0.796 | S | S | * | * | trans | -63.3 | 125.1 | 162.7 | -79.6 | -86.5 | 0 | 0 | 0 | 107.5 | A161 H165 | A161-H163 PolarHBondContact O-N 3.4Å; H163-H165 PolarHBondContact O-N 3.35Å | ||
| 164 | P | 41.6 | Very low | 39.4 | Very low | 111 Ų | 111 | 153.2 Ų | 153.2 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -54.5 | 129 | 160.5 | -15.6 | 28.3 | 0 | 0 | 0 | 106.8 | L162 K166 | L162-P164 WeakPolarHBondContact O-CD 3.33Å; P164-K166 VanDerWaalsContact C-N 3.3Å; P164-K166 PolarHBondContact O-N 3Å | ||
| 165 | H | 38.9 | Very low | 38.8 | Very low | 191 Ų | 191 | 156.5 Ų | 156.5 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | trans | -54.9 | 95.7 | 171.7 | -102.2 | -68.9 | 0 | 0 | 0 | 108.7 | H163 L167 | H163-H165 PolarHBondContact O-N 3.35Å; H165-L167 PolarHBondContact O-N 3.34Å | ||
| 166 | K | 43.2 | Very low | 39 | Very low | 199 Ų | 199 | 158 Ų | 158 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -71.6 | 111.9 | 155.5 | -97.3 | -172.3 | 173.4 | -172.4 | 0 | 105.6 | P164 S168 | P164-K166 VanDerWaalsContact C-N 3.3Å; P164-K166 PolarHBondContact O-N 3Å; K166-S168 PolarHBondContact O-N 3.38Å | ||
| 167 | L | 42.9 | Very low | 39.4 | Very low | 148 Ų | 148 | 159.5 Ų | 159.5 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | trans | -55.8 | 130.5 | 161.8 | -81.9 | 128.7 | 0 | 0 | 0 | 107.9 | H165 | H165-L167 PolarHBondContact O-N 3.34Š| ||
| 168 | S | 32.4 | Very low | 39.6 | Very low | 96 Ų | 96 | 158.4 Ų | 158.4 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -46.4 | 129 | 170.1 | 48.2 | 0 | 0 | 0 | 0 | 111.2 | K166 | K166-S168 PolarHBondContact O-N 3.38Š| ||
| 169 | D | 43.3 | Very low | 39.8 | Very low | 167 Ų | 167 | 158.4 Ų | 158.4 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -136.1 | 118.7 | 143.1 | -82.1 | -37 | 0 | 0 | 0 | 106 | ||||
| 170 | D | 41.2 | Very low | 39.9 | Very low | 147 Ų | 147 | 153.6 Ų | 153.6 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -61.9 | 168.9 | 172.7 | -69.5 | -51.1 | 0 | 0 | 0 | 111.2 | ||||
| 171 | D | 43.6 | Very low | 40.2 | Very low | 146 Ų | 146 | 155 Ų | 155 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | 121 | 81.2 | 163.5 | -59.4 | -16.6 | 0 | 0 | 0 | 114 | ||||
| 172 | D | 44.6 | Very low | 39.8 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | 53.1 | 139.4 | 112.6 | -67.7 | -22.9 | 0 | 0 | 0 | 122.4 | |||||
| 173 | E | 43.2 | Very low | 39.6 | Very low | 163 Ų | 163 | 157.8 Ų | 157.8 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 104.9 | 97.6 | 151.1 | -70.9 | 169.7 | -155.1 | 0 | 0 | 121 | ||||
| 174 | E | 39.9 | Very low | 39.3 | Very low | 174 Ų | 174 | 159 Ų | 159 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | 63.3 | 105.3 | 123.1 | -61.8 | 177.4 | -173.6 | 0 | 0 | 119.3 | |||||
| 175 | E | 36.8 | Very low | 38.9 | Very low | 190 Ų | 190 | 161.7 Ų | 161.7 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | 59.2 | 115.2 | 89.8 | -73.6 | -166.6 | -165.4 | 0 | 0 | 115.9 | |||||
| 176 | E | 39.8 | Very low | 38.7 | Very low | 205 Ų | 205 | 163 Ų | 163 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | -174.1 | 144 | 127.5 | -99.9 | 179.8 | -157.8 | 0 | 0 | 112.1 | |||||
| 177 | E | 38.6 | Very low | 38.4 | Very low | 173 Ų | 173 | 159.5 Ų | 159.5 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -99.2 | 177.9 | -161.6 | -59.4 | -176.7 | 141 | 0 | 0 | 114.9 | ||||
| 178 | E | 40.5 | Very low | 38 | Very low | 164 Ų | 164 | 161.9 Ų | 161.9 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | trans | 79.3 | 132.9 | 158.4 | -54.6 | -176.7 | 161.5 | 0 | 0 | 116.5 | ||||
| 179 | D | 39.2 | Very low | 38.3 | Very low | 145 Ų | 145 | 168.7 Ų | 168.7 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | cis | -162.2 | 156.5 | 40.3 | -122 | -24.3 | 0 | 0 | 0 | 112.5 | ||||
| 180 | S | 36.1 | Very low | 38.2 | Very low | 100 Ų | 100 | 166.7 Ų | 166.7 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | trans | -77.5 | 145.7 | 178.9 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 181 | E | 40.7 | Very low | 38.2 | Very low | 195 Ų | 195 | 165 Ų | 165 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -174.6 | 147 | 132 | -104.6 | 178.7 | -170.9 | 0 | 0 | 114.1 | ||||
| 182 | S | 30.9 | Very low | 38.1 | Very low | 111 Ų | 111 | 169.5 Ų | 169.5 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -75.7 | 142.3 | -166.1 | 55.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 183 | M | 35 | Very low | 38.7 | Very low | 187 Ų | 187 | 166 Ų | 166 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -156.7 | 125.9 | 146 | -132.6 | 161 | 61.1 | 0 | 0 | 113.1 | ||||
| 184 | Q | 33 | Very low | 39.1 | Very low | 180 Ų | 180 | 167.7 Ų | 167.7 | 84% | 0.841 | 82% | 0.82 | S | S | * | * | trans | -52.4 | 134.8 | 172.7 | -67.2 | 162.5 | -39.8 | 0 | 0 | 111.7 | ||||
| 185 | Q | 32.6 | Very low | 39.9 | Very low | 168 Ų | 168 | 162.4 Ų | 162.4 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | 162.2 | 133 | 130.1 | -89.3 | 170.3 | 15.7 | 0 | 0 | 114.4 | ||||
| 186 | R | 34.6 | Very low | 40.8 | Very low | 217 Ų | 217 | 154.5 Ų | 154.5 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | trans | 89.5 | 135.6 | 160.8 | -62.8 | 172.2 | -175.5 | -166.2 | 0.4 | 117.7 | F188 | R186-F188 PolarHBondContact O-N 3.06Š| ||
| 187 | P | 38.2 | Very low | 41.4 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -65.2 | 127.7 | 179.2 | 28.6 | -31.7 | 0 | 0 | 0 | 108.9 | R189 | P187-R189 PolarHBondContact O-N 2.96Å; P187-R189 VanDerWaalsContact O-N 3.16Å | ||
| 188 | F | 33.6 | Very low | 42.4 | Very low | 199 Ų | 199 | 142.3 Ų | 142.3 | 87% | 0.873 | 72% | 0.718 | S | S | * | * | trans | -53.3 | 116.6 | 179.2 | -93.7 | -104.7 | 0 | 0 | 0 | 110.1 | R186 T190 | R186-F188 PolarHBondContact O-N 3.06Å; F188-T190 PolarHBondContact O-N 2.77Å; F188-T190 VanDerWaalsContact O-N 3.13Å | ||
| 189 | R | 38.9 | Very low | 43.2 | Very low | 238 Ų | 238 | 138.6 Ų | 138.6 | 90% | 0.898 | 71% | 0.71 | S | S | * | * | trans | -62.9 | 109.1 | 154.7 | -77.5 | 174.8 | 115.5 | 174.5 | 2.9 | 105.6 | P187 | P187-R189 PolarHBondContact O-N 2.96Å; P187-R189 VanDerWaalsContact O-N 3.16Å | ||
| 190 | T | 40.4 | Very low | 44.1 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 130.8 | 169.3 | -38.5 | 0 | 0 | 0 | 0 | 107.9 | F188 R192 | F188-T190 PolarHBondContact O-N 2.77Å; F188-T190 VanDerWaalsContact O-N 3.13Å; T190-R192 PolarHBondContact O-N 3.01Å |
| 191 | P | 41 | Very low | 45.1 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 135.7 | 176.3 | -21.6 | 31.1 | 0 | 0 | 0 | 108.8 | A193 | P191-A193 PolarHBondContact O-N 3.13Å; P191-A193 VanDerWaalsContact O-N 3.09Å |
| 192 | R | 43.3 | Very low | 46.3 | Very low | 241 Ų | 241 | 134.8 Ų | 134.8 | 91% | 0.909 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 123.7 | 170.3 | -75.3 | 179.7 | 173.1 | 178.3 | -4.8 | 107.2 | T190 K194 | T190-R192 PolarHBondContact O-N 3.01Å; R192-K194 PolarHBondContact O-N 3.02Å; R192-K194 VanDerWaalsContact O-N 3.11Å |
| 193 | A | 56.3 | Low | 48 | Very low | 74 Ų | 74 | 132.9 Ų | 132.9 | 61% | 0.612 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 123.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | P191 D195 | P191-A193 PolarHBondContact O-N 3.13Å; P191-A193 VanDerWaalsContact O-N 3.09Å; A193-D195 PolarHBondContact O-N 3.23Å |
| 194 | K | 50.8 | Low | 49.7 | Very low | 198 Ų | 198 | 131.2 Ų | 131.2 | 86% | 0.861 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 135 | 171.7 | -90.3 | -179.5 | 175.5 | 176.6 | 0 | 106.7 | R192 P196 | R192-K194 PolarHBondContact O-N 3.02Å; R192-K194 VanDerWaalsContact O-N 3.11Å; K194-P196 VanDerWaalsContact O-CD 3.25Å; K194-P196 WeakPolarHBondContact O-CD 3.27Å |
| 195 | D | 58.5 | Low | 51.4 | Low | 63 Ų | 63 | 126.9 Ų | 126.9 | 34% | 0.337 | 63% | 0.631 | S | S | . | * | trans | -48.4 | 112.9 | 174 | 174.6 | 2.8 | 0 | 0 | 0 | 108.7 | A193 Y197 A198 | A193-D195 PolarHBondContact O-N 3.23Å; D195-Y197 PolarHBondContact O-N 3.27Å; D195-Y197 PolarHBondContact OD1-N 3.09Å; D195-A198 HydrophobicContact CB-CB 4.04Å; D195-A198 WeakPolarHBondContact O-CB 3.25Å; D195-A198 PolarHBondContact O-N 2.77Å; D195-A198 VanDerWaalsContact O-N 3.13Å | ||
| 196 | P | 55.6 | Low | 53.3 | Low | 23 Ų | 23 | 123 Ų | 123 | 15% | 0.149 | 61% | 0.614 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -66.5 | -7.6 | -173.4 | 20 | -23.8 | 0 | 0 | 0 | 112.7 | W56 K194 | W56-P196 HydrophobicContact CD2-CB 4.26Å; W56-P196 HydrophobicContact CH2-CB 3.89Å; W56-P196 HydrophobicContact CZ2-CB 3.48Å; W56-P196 VanDerWaalsContact CZ2-CB 3.48Å; W56-P196 HydrophobicContact CZ3-CB 4.43Å; K194-P196 VanDerWaalsContact O-CD 3.25Å; K194-P196 WeakPolarHBondContact O-CD 3.27Å |
| 197 | Y | 52.3 | Low | 55.1 | Low | 41 Ų | 41 | 117.7 Ų | 117.7 | 16% | 0.161 | 60% | 0.601 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -112.9 | 6.5 | -179.7 | -48.4 | -86.7 | 0 | 0 | 0 | 113.4 | S5 E27 Y29 D195 S199 | S5-Y197 VanDerWaalsContact CB-CE1 3.42Å; S5-Y197 WeakPolarHBondContact OG-CE1 3.49Å; E27-Y197 PolarHBondContact OE1-OH 2.75Å; Y29-Y197 HydrophobicContact CD1-CD2 4.12Å; Y29-Y197 AromaticContact CD1-CE2 3.42Å; Y29-Y197 HydrophobicContact CD1-CE2 3.42Å; Y29-Y197 VanDerWaalsContact CD1-CE2 3.42Å; Y29-Y197 AromaticContact CD1-CZ 3.65Å; Y29-Y197 HydrophobicContact CD2-CD2 4.36Å; Y29-Y197 AromaticContact CD2-CE2 3.75Å; Y29-Y197 HydrophobicContact CD2-CE2 3.75Å; Y29-Y197 HydrophobicContact CE1-CD1 4.33Å; Y29-Y197 AromaticContact CE1-CD2 3.29Å; Y29-Y197 HydrophobicContact CE1-CD2 3.29Å; Y29-Y197 HydrophobicContact CE1-CE1 4.2Å; Y29-Y197 AromaticContact CE1-CE2 3.07Å; Y29-Y197 HydrophobicContact CE1-CE2 3.07Å; Y29-Y197 AromaticContact CE1-CG 3.89Å; Y29-Y197 HydrophobicContact CE1-CG 3.89Å; Y29-Y197 AromaticContact CE1-CZ 3.57Å; Y29-Y197 AromaticContact CE2-CD2 3.6Å; Y29-Y197 HydrophobicContact CE2-CD2 3.6Å; Y29-Y197 AromaticContact CE2-CE2 3.45Å; Y29-Y197 HydrophobicContact CE2-CE2 3.45Å; Y29-Y197 VanDerWaalsContact CE2-CE2 3.45Å; Y29-Y197 AromaticContact CG-CE2 3.76Å; Y29-Y197 HydrophobicContact CG-CE2 3.76Å; Y29-Y197 AromaticContact CZ-CD2 2.98Å; Y29-Y197 AromaticContact CZ-CE2 3.11Å; Y29-Y197 AromaticContact CZ-CG 3.85Å; Y29-Y197 WeakPolarHBondContact OH-CD2 3.49Å; D195-Y197 PolarHBondContact O-N 3.27Å; D195-Y197 PolarHBondContact OD1-N 3.09Å; Y197-S199 PolarHBondContact O-N 3.34Å |
| 198 | A | 59.6 | Low | 56.8 | Low | 81 Ų | 81 | 115.4 Ų | 115.4 | 67% | 0.669 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -68.1 | -18.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | D195 | D195-A198 HydrophobicContact CB-CB 4.04Å; D195-A198 WeakPolarHBondContact O-CB 3.25Å; D195-A198 PolarHBondContact O-N 2.77Å; D195-A198 VanDerWaalsContact O-N 3.13Å |
| 199 | S | 57 | Low | 59 | Low | 86 Ų | 86 | 110.1 Ų | 110.1 | 60% | 0.601 | 57% | 0.567 | S | S | * | * | trans | -111.2 | 87.1 | 171.9 | 56 | 0 | 0 | 0 | 0 | 109.6 | Y197 D201 | Y197-S199 PolarHBondContact O-N 3.34Å; S199-D201 PolarHBondContact O-N 2.99Å; S199-D201 VanDerWaalsContact O-N 3.09Å | ||
| 200 | I | 56.7 | Low | 61 | Low | 99 Ų | 99 | 104 Ų | 104 | 51% | 0.508 | 55% | 0.551 | S | S | . | * | trans | -68.7 | 105.5 | 161.4 | -65.6 | 171.8 | 0 | 0 | 0 | 105.9 | Y202 | I200-Y202 WeakPolarHBondContact O-CD2 2.98Å; I200-Y202 WeakPolarHBondContact O-CE2 3.03Å; I200-Y202 PolarHBondContact O-N 2.95Å | ||
| 201 | D | 58.3 | Low | 62.8 | Low | 111 Ų | 111 | 102.4 Ų | 102.4 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | trans | -65.1 | 100.4 | 176 | -83.1 | -32.8 | 0 | 0 | 0 | 109.5 | S199 S203 Y204 | S199-D201 PolarHBondContact O-N 2.99Å; S199-D201 VanDerWaalsContact O-N 3.09Å; D201-S203 PolarHBondContact O-N 3.41Å; D201-Y204 WeakPolarHBondContact O-CD1 3.47Å; D201-Y204 WeakPolarHBondContact O-CE1 3.1Å | ||
| 202 | Y | 66.2 | Low | 64.7 | Low | 150 Ų | 150 | 100.1 Ų | 100.1 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 1.3 | 173.4 | -66.1 | -87.1 | 0 | 0 | 0 | 113.4 | I200 Y204 L205 I206 | I200-Y202 WeakPolarHBondContact O-CD2 2.98Å; I200-Y202 WeakPolarHBondContact O-CE2 3.03Å; I200-Y202 PolarHBondContact O-N 2.95Å; Y202-Y204 VanDerWaalsContact C-N 3.26Å; Y202-Y204 PolarHBondContact O-N 3.23Å; Y202-L205 HydrophobicContact CD1-CD1 3.95Å; Y202-L205 WeakPolarHBondContact O-CB 3.18Å; Y202-L205 PolarHBondContact O-N 2.93Å; Y202-I206 WeakPolarHBondContact O-CG1 3.47Å; Y202-I206 PolarHBondContact O-N 3.21Å |
| 203 | S | 66.6 | Low | 66.4 | Low | 72 Ų | 72 | 95.4 Ų | 95.4 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -55.7 | -34.5 | -178.1 | -59.3 | 0 | 0 | 0 | 0 | 113.6 | D201 L205 I206 L207 | D201-S203 PolarHBondContact O-N 3.41Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 3.08Å; S203-I206 PolarHBondContact O-N 3.19Å; S203-L207 PolarHBondContact O-N 3.38Å; S203-L207 VanDerWaalsContact O-N 3.08Å |
| 204 | Y | 69.7 | Low | 67.5 | Low | 152 Ų | 152 | 94.1 Ų | 94.1 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.4 | -21.3 | 176.1 | 61.8 | -94.8 | 0 | 0 | 0 | 113.6 | D201 Y202 P208 | D201-Y204 WeakPolarHBondContact O-CD1 3.47Å; D201-Y204 WeakPolarHBondContact O-CE1 3.1Å; Y202-Y204 VanDerWaalsContact C-N 3.26Å; Y202-Y204 PolarHBondContact O-N 3.23Å; Y204-P208 WeakPolarHBondContact O-CD 3.4Å |
| 205 | L | 68.2 | Low | 68.9 | Low | 89 Ų | 89 | 87.1 Ų | 87.1 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -82.5 | -29.3 | 171.7 | -67.2 | 169.4 | 0 | 0 | 0 | 111.6 | Y202 S203 I209 | Y202-L205 HydrophobicContact CD1-CD1 3.95Å; Y202-L205 WeakPolarHBondContact O-CB 3.18Å; Y202-L205 PolarHBondContact O-N 2.93Å; S203-L205 VanDerWaalsContact C-N 3.27Å; S203-L205 PolarHBondContact O-N 3.08Å; L205-I209 VanDerWaalsContact O-CD1 3.24Å; L205-I209 WeakPolarHBondContact O-CD1 3.3Å; L205-I209 VanDerWaalsContact O-CG1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.37Å |
| 206 | I | 73.4 | Confident | 69.8 | Low | 86 Ų | 86 | 90.4 Ų | 90.4 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77.8 | -39.4 | -177 | -63.1 | 168.2 | 0 | 0 | 0 | 111.3 | Y202 S203 I209 I210 | Y202-I206 WeakPolarHBondContact O-CG1 3.47Å; Y202-I206 PolarHBondContact O-N 3.21Å; S203-I206 PolarHBondContact O-N 3.19Å; I206-I209 WeakPolarHBondContact O-CB 3.24Å; I206-I209 PolarHBondContact O-N 3.1Å; I206-I209 VanDerWaalsContact O-N 3.1Å; I206-I210 HydrophobicContact CG2-CD1 3.57Å; I206-I210 HydrophobicContact CG2-CG1 3.98Å; I206-I210 WeakPolarHBondContact O-CG1 3.39Å; I206-I210 PolarHBondContact O-N 2.93Å |
| 207 | L | 73.2 | Confident | 70.7 | Confident | 105 Ų | 105 | 95.2 Ų | 95.2 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.7 | -47.9 | -175.9 | -148.2 | 149.7 | 0 | 0 | 0 | 114.5 | S203 I209 I210 V211 | S203-L207 PolarHBondContact O-N 3.38Å; S203-L207 VanDerWaalsContact O-N 3.08Å; L207-I209 VanDerWaalsContact C-N 3.27Å; L207-I209 PolarHBondContact O-N 3.06Å; L207-I210 PolarHBondContact O-N 3.46Å; L207-V211 HydrophobicContact CD2-CG2 4.2Å; L207-V211 WeakPolarHBondContact O-CG2 3.36Å; L207-V211 PolarHBondContact O-N 2.99Å |
| 208 | P | 74 | Confident | 71.7 | Confident | 79 Ų | 79 | 96.8 Ų | 96.8 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -28.9 | 175.1 | 24.9 | -32.7 | 0 | 0 | 0 | 112.7 | Y204 S212 | Y204-P208 WeakPolarHBondContact O-CD 3.4Å; P208-S212 WeakPolarHBondContact O-CB 3.48Å; P208-S212 PolarHBondContact O-N 3.34Å |
| 209 | I | 79.5 | Confident | 72.6 | Confident | 88 Ų | 88 | 97.2 Ų | 97.2 | 45% | 0.451 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -48.7 | 175 | -64.7 | 172 | 0 | 0 | 0 | 109.8 | L205 I206 L207 V211 S212 F213 | L205-I209 VanDerWaalsContact O-CD1 3.24Å; L205-I209 WeakPolarHBondContact O-CD1 3.3Å; L205-I209 VanDerWaalsContact O-CG1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.37Å; I206-I209 WeakPolarHBondContact O-CB 3.24Å; I206-I209 PolarHBondContact O-N 3.1Å; I206-I209 VanDerWaalsContact O-N 3.1Å; L207-I209 VanDerWaalsContact C-N 3.27Å; L207-I209 PolarHBondContact O-N 3.06Å; I209-V211 PolarHBondContact O-N 2.88Å; I209-S212 PolarHBondContact O-N 3.46Å; I209-S212 VanDerWaalsContact O-N 3.16Å; I209-S212 PolarHBondContact O-OG 3.26Å; I209-F213 HydrophobicContact CG2-CD2 3.69Å; I209-F213 HydrophobicContact CG2-CE2 3.59Å; I209-F213 VanDerWaalsContact O-CD2 3.28Å; I209-F213 WeakPolarHBondContact O-CD2 3.44Å; I209-F213 PolarHBondContact O-N 3.03Å |
| 210 | I | 79.7 | Confident | 73.4 | Confident | 109 Ų | 109 | 97.3 Ų | 97.3 | 56% | 0.559 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.8 | -45.6 | 178.5 | -66.4 | 175.3 | 0 | 0 | 0 | 111.1 | I206 L207 S212 F213 G214 | I206-I210 HydrophobicContact CG2-CD1 3.57Å; I206-I210 HydrophobicContact CG2-CG1 3.98Å; I206-I210 WeakPolarHBondContact O-CG1 3.39Å; I206-I210 PolarHBondContact O-N 2.93Å; L207-I210 PolarHBondContact O-N 3.46Å; I210-S212 VanDerWaalsContact C-N 3.29Å; I210-S212 PolarHBondContact O-N 3.38Å; I210-F213 PolarHBondContact O-N 3.38Å; I210-G214 PolarHBondContact O-N 3.27Å |
| 211 | V | 79.9 | Confident | 74.3 | Confident | 92 Ų | 92 | 99.3 Ų | 99.3 | 56% | 0.558 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61 | -39.5 | 176.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L207 I209 G214 A215 | L207-V211 HydrophobicContact CD2-CG2 4.2Å; L207-V211 WeakPolarHBondContact O-CG2 3.36Å; L207-V211 PolarHBondContact O-N 2.99Å; I209-V211 PolarHBondContact O-N 2.88Å; V211-G214 PolarHBondContact O-N 3.21Å; V211-A215 WeakPolarHBondContact O-CB 3.43Å; V211-A215 PolarHBondContact O-N 3.46Å |
| 212 | S | 79.4 | Confident | 75.1 | Confident | 64 Ų | 64 | 98.1 Ų | 98.1 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.1 | 79.9 | 0 | 0 | 0 | 0 | 112.3 | P208 I209 I210 F216 | P208-S212 WeakPolarHBondContact O-CB 3.48Å; P208-S212 PolarHBondContact O-N 3.34Å; I209-S212 PolarHBondContact O-N 3.46Å; I209-S212 VanDerWaalsContact O-N 3.16Å; I209-S212 PolarHBondContact O-OG 3.26Å; I210-S212 VanDerWaalsContact C-N 3.29Å; I210-S212 PolarHBondContact O-N 3.38Å; S212-F216 WeakPolarHBondContact O-CB 3.28Å; S212-F216 PolarHBondContact O-N 3.16Å; S212-F216 VanDerWaalsContact O-N 3.1Å |
| 213 | F | 79.3 | Confident | 75.6 | Confident | 141 Ų | 141 | 96.6 Ų | 96.6 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.9 | -40.3 | 177.8 | -82.1 | -72.4 | 0 | 0 | 0 | 112.2 | I209 I210 A215 F216 L217 | I209-F213 HydrophobicContact CG2-CD2 3.69Å; I209-F213 HydrophobicContact CG2-CE2 3.59Å; I209-F213 VanDerWaalsContact O-CD2 3.28Å; I209-F213 WeakPolarHBondContact O-CD2 3.44Å; I209-F213 PolarHBondContact O-N 3.03Å; I210-F213 PolarHBondContact O-N 3.38Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 2.68Å; F213-F216 PolarHBondContact O-N 3.03Å; F213-L217 PolarHBondContact O-N 3.1Å |
| 214 | G | 80.2 | Confident | 75.9 | Confident | 47 Ų | 47 | 97.9 Ų | 97.9 | 49% | 0.485 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I210 V211 P218 | I210-G214 PolarHBondContact O-N 3.27Å; V211-G214 PolarHBondContact O-N 3.21Å; G214-P218 WeakPolarHBondContact O-CD 3.28Å |
| 215 | A | 79.2 | Confident | 75.6 | Confident | 51 Ų | 51 | 98.7 Ų | 98.7 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -75.6 | -28.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | V211 F213 P218 I219 | V211-A215 WeakPolarHBondContact O-CB 3.43Å; V211-A215 PolarHBondContact O-N 3.46Å; F213-A215 VanDerWaalsContact C-N 3.35Å; F213-A215 PolarHBondContact O-N 2.68Å; A215-P218 WeakPolarHBondContact O-CD 3.27Å; A215-P218 WeakPolarHBondContact O-CG 3.31Å; A215-I219 VanDerWaalsContact O-CD1 3.28Å; A215-I219 WeakPolarHBondContact O-CD1 3.05Å; A215-I219 VanDerWaalsContact O-CG1 3.27Å; A215-I219 WeakPolarHBondContact O-CG1 3.37Å |
| 216 | F | 77.2 | Confident | 74.7 | Confident | 133 Ų | 133 | 104.7 Ų | 104.7 | 58% | 0.583 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -72.9 | -33.9 | -178.6 | -137.8 | -96.5 | 0 | 0 | 0 | 113.1 | S212 F213 I219 L220 | S212-F216 WeakPolarHBondContact O-CB 3.28Å; S212-F216 PolarHBondContact O-N 3.16Å; S212-F216 VanDerWaalsContact O-N 3.1Å; F213-F216 PolarHBondContact O-N 3.03Å; F216-I219 PolarHBondContact O-N 2.84Å; F216-L220 VanDerWaalsContact O-CB 3.31Å; F216-L220 WeakPolarHBondContact O-CB 3.44Å; F216-L220 PolarHBondContact O-N 3.33Å |
| 217 | L | 75.9 | Confident | 74.8 | Confident | 123 Ų | 123 | 105.6 Ų | 105.6 | 64% | 0.644 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.6 | -49.6 | -179.4 | -73 | 168.9 | 0 | 0 | 0 | 114.1 | F213 L220 F221 | F213-L217 PolarHBondContact O-N 3.1Å; L217-L220 PolarHBondContact O-N 2.98Å; L217-F221 WeakPolarHBondContact O-CB 3.46Å; L217-F221 PolarHBondContact O-N 3.46Å |
| 218 | P | 73.3 | Confident | 74.9 | Confident | 75 Ų | 75 | 105.6 Ų | 105.6 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.3 | -31.6 | 176.2 | 24.9 | -32.2 | 0 | 0 | 0 | 112.7 | G214 A215 F221 C222 | G214-P218 WeakPolarHBondContact O-CD 3.28Å; A215-P218 WeakPolarHBondContact O-CD 3.27Å; A215-P218 WeakPolarHBondContact O-CG 3.31Å; P218-F221 PolarHBondContact O-N 3.42Å; P218-C222 WeakPolarHBondContact O-CB 3.31Å; P218-C222 PolarHBondContact O-N 2.93Å; P218-C222 PolarHBondContact O-SG 2.91Å |
| 219 | I | 77.1 | Confident | 74.9 | Confident | 90 Ų | 90 | 107.1 Ų | 107.1 | 46% | 0.462 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.6 | -44.6 | 175.3 | -64.2 | 170 | 0 | 0 | 0 | 110.5 | A215 F216 F221 C222 L223 | A215-I219 VanDerWaalsContact O-CD1 3.28Å; A215-I219 WeakPolarHBondContact O-CD1 3.05Å; A215-I219 VanDerWaalsContact O-CG1 3.27Å; A215-I219 WeakPolarHBondContact O-CG1 3.37Å; F216-I219 PolarHBondContact O-N 2.84Å; I219-F221 VanDerWaalsContact C-N 3.34Å; I219-F221 PolarHBondContact O-N 3.26Å; I219-C222 PolarHBondContact O-N 3.49Å; I219-L223 HydrophobicContact CG2-CD1 3.98Å; I219-L223 VanDerWaalsContact O-CG 3.31Å; I219-L223 WeakPolarHBondContact O-CG 3.42Å; I219-L223 PolarHBondContact O-N 2.93Å |
| 220 | L | 73.7 | Confident | 74.6 | Confident | 88 Ų | 88 | 108.2 Ų | 108.2 | 46% | 0.461 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.1 | -40.2 | 176.1 | -166.3 | 73.2 | 0 | 0 | 0 | 111.1 | F216 L217 C222 L223 C224 | F216-L220 VanDerWaalsContact O-CB 3.31Å; F216-L220 WeakPolarHBondContact O-CB 3.44Å; F216-L220 PolarHBondContact O-N 3.33Å; L217-L220 PolarHBondContact O-N 2.98Å; L220-C222 VanDerWaalsContact C-N 3.34Å; L220-C222 PolarHBondContact O-N 3.28Å; L220-L223 PolarHBondContact O-N 3.32Å; L220-C224 WeakPolarHBondContact O-CB 3.43Å; L220-C224 PolarHBondContact O-N 3.5Å; L220-C224 PolarHBondContact O-SG 3.42Å; L220-C224 VanDerWaalsContact O-SG 3.32Å |
| 221 | F | 76.4 | Confident | 74.3 | Confident | 140 Ų | 140 | 108.2 Ų | 108.2 | 61% | 0.614 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.1 | -35.4 | 176 | -157.1 | -94.1 | 0 | 0 | 0 | 112.6 | L217 P218 I219 K225 | L217-F221 WeakPolarHBondContact O-CB 3.46Å; L217-F221 PolarHBondContact O-N 3.46Å; P218-F221 PolarHBondContact O-N 3.42Å; I219-F221 VanDerWaalsContact C-N 3.34Å; I219-F221 PolarHBondContact O-N 3.26Å; F221-K225 HydrophobicContact CE1-CD 4.18Å; F221-K225 PolarHBondContact O-N 3.48Å |
| 222 | C | 74.8 | Confident | 74 | Confident | 86 Ų | 86 | 109.3 Ų | 109.3 | 58% | 0.581 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -68.7 | -38.1 | 172 | -79.4 | 0 | 0 | 0 | 0 | 112.5 | P218 I219 L220 | P218-C222 WeakPolarHBondContact O-CB 3.31Å; P218-C222 PolarHBondContact O-N 2.93Å; P218-C222 PolarHBondContact O-SG 2.91Å; I219-C222 PolarHBondContact O-N 3.49Å; L220-C222 VanDerWaalsContact C-N 3.34Å; L220-C222 PolarHBondContact O-N 3.28Å |
| 223 | L | 76.7 | Confident | 73.6 | Confident | 119 Ų | 119 | 112.5 Ų | 112.5 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -74.2 | -30.1 | 179.1 | -71 | 170.7 | 0 | 0 | 0 | 113.3 | I219 L220 K225 | I219-L223 HydrophobicContact CG2-CD1 3.98Å; I219-L223 VanDerWaalsContact O-CG 3.31Å; I219-L223 WeakPolarHBondContact O-CG 3.42Å; I219-L223 PolarHBondContact O-N 2.93Å; L220-L223 PolarHBondContact O-N 3.32Å; L223-K225 VanDerWaalsContact C-N 3.33Å |
| 224 | C | 73.6 | Confident | 73.1 | Confident | 98 Ų | 98 | 110.3 Ų | 110.3 | 66% | 0.662 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -4.9 | 177 | -66.7 | 0 | 0 | 0 | 0 | 114.2 | L220 | L220-C224 WeakPolarHBondContact O-CB 3.43Å; L220-C224 PolarHBondContact O-N 3.5Å; L220-C224 PolarHBondContact O-SG 3.42Å; L220-C224 VanDerWaalsContact O-SG 3.32Å |
| 225 | K | 62.9 | Low | 72.5 | Confident | 169 Ų | 169 | 115.6 Ų | 115.6 | 74% | 0.735 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 4.4 | 178.1 | -102 | -162.8 | 173 | 179.5 | 0 | 115.1 | F221 L223 | F221-K225 HydrophobicContact CE1-CD 4.18Å; F221-K225 PolarHBondContact O-N 3.48Å; L223-K225 VanDerWaalsContact C-N 3.33Å |
| 226 | L | 49.9 | Very low | 71.9 | Confident | 215 Ų | 215 | 121.5 Ų | 121.5 | 100% | 1.126 | 63% | 0.634 | S | S | * | * | trans | -97.9 | 0 | 167.3 | -93.7 | 120.2 | 0 | 0 | 0 | 110.6 |
Retrieved 226 of 226 residues in 376.8 ms
(Link to these results)