| 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 | 84.2 | Confident | 88.9 | Confident | 57 Ų | 57 | 79.4 Ų | 79.4 | 28% | 0.281 | 41% | 0.41 | S | S | . | . | 0 | -37.5 | 0 | -160 | 173.7 | -172.2 | 0 | 0 | 113.3 | T53 I57 V59 L171 | M1-T53 HydrophobicContact CE-CG2 4.48Å; M1-T53 HydrophobicContact CG-CG2 4.25Å; M1-I57 HydrophobicContact CE-CB 4.07Å; M1-I57 HydrophobicContact CE-CD1 4.03Å; M1-I57 HydrophobicContact CE-CG2 3.57Å; M1-V59 HydrophobicContact CE-CG2 3.44Å; M1-V59 VanDerWaalsContact CE-CG2 3.44Å; M1-L171 WeakPolarHBondContact CA-O 3.05Å; M1-L171 WeakPolarHBondContact CB-O 3.35Å; M1-L171 PolarHBondContact N-O 3.46Å | |||
| 2 | F | 91.3 | Very high | 89.3 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.009 | 40% | 0.402 | C | S | . | . | trans | -116.1 | 19.5 | -172.8 | -48.7 | -74.7 | 0 | 0 | 0 | 115.2 | K4 F6 I51 T53 V59 I71 H172 D176 H177 V178 | F2-K4 VanDerWaalsContact C-N 3.34Å; F2-F6 HydrophobicContact CB-CD1 4.42Å; F2-F6 HydrophobicContact CB-CE1 4.36Å; F2-F6 HydrophobicContact CD1-CD1 4.13Å; F2-F6 HydrophobicContact CD1-CE1 4.31Å; F2-I51 HydrophobicContact CD1-CD1 4.01Å; F2-I51 HydrophobicContact CE1-CD1 3.72Å; F2-T53 HydrophobicContact CD1-CG2 4.06Å; F2-T53 HydrophobicContact CE1-CG2 3.85Å; F2-V59 HydrophobicContact CE1-CG1 4.41Å; F2-V59 HydrophobicContact CE1-CG2 4.43Å; F2-V59 HydrophobicContact CZ-CG1 4.23Å; F2-I71 HydrophobicContact CD2-CD1 4.48Å; F2-I71 HydrophobicContact CE2-CD1 3.72Å; F2-I71 HydrophobicContact CE2-CG2 4.43Å; F2-I71 HydrophobicContact CZ-CD1 4.07Å; F2-I71 HydrophobicContact CZ-CG2 3.88Å; F2-H172 HydrophobicContact CD2-CB 4.32Å; F2-H172 HydrophobicContact CE2-CB 4.45Å; F2-D176 HydrophobicContact CB-CB 4.26Å; F2-H177 WeakPolarHBondContact O-CB 3.33Å; F2-H177 PolarHBondContact O-CD2 3.45Å; F2-H177 PolarHBondContact O-N 3.49Å; F2-H177 VanDerWaalsContact O-N 3.09Å; F2-V178 HydrophobicContact CB-CG2 3.74Å; F2-V178 HydrophobicContact CD1-CG2 3.67Å; F2-V178 HydrophobicContact CD2-CG2 3.75Å; F2-V178 HydrophobicContact CE1-CG2 4.23Å; F2-V178 HydrophobicContact CE2-CG2 4.29Å; F2-V178 HydrophobicContact CG-CG2 3.42Å; F2-V178 VanDerWaalsContact CG-CG2 3.42Å | ||
| 3 | L | 88 | Confident | 89.8 | Confident | 84 Ų | 84 | 79.9 Ų | 79.9 | 44% | 0.44 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -67.4 | -34.6 | -179.2 | -173.6 | 74.8 | 0 | 0 | 0 | 112.6 | K106 H177 | L3-K106 WeakPolarHBondContact CD2-O 3.11Å; L3-H177 PolarHBondContact O-CD2 3.13Å; L3-H177 PolarHBondContact O-NE2 3.09Å |
| 4 | K | 87.9 | Confident | 90.1 | Very high | 136 Ų | 136 | 75.1 Ų | 75.1 | 59% | 0.591 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -92.1 | 152.9 | 174.9 | -69.2 | -177.9 | 179.2 | -179.8 | 0 | 110 | F2 F6 S54 H177 | F2-K4 VanDerWaalsContact C-N 3.34Å; K4-F6 PolarHBondContact O-N 3.01Å; K4-S54 WeakPolarHBondContact CB-OG 3.22Å; K4-H177 PolarHBondContact O-CD2 2.94Å |
| 5 | P | 85.8 | Confident | 90.4 | Very high | 91 Ų | 91 | 80.7 Ų | 80.7 | 59% | 0.591 | 41% | 0.41 | S | S | * | . | trans | -54.8 | 137.7 | 176.6 | -22.8 | 30.7 | 0 | 0 | 0 | 110.9 | H177 | P5-H177 VanDerWaalsContact CD-NE2 3.35Å; P5-H177 WeakPolarHBondContact CD-NE2 3.49Å; P5-H177 VanDerWaalsContact N-CD2 3.29Å | ||
| 6 | F | 90.1 | Very high | 90.5 | Very high | 32 Ų | 32 | 82.1 Ų | 82.1 | 14% | 0.14 | 43% | 0.43 | C | S | . | . | trans | -110.9 | 153.9 | 173.8 | 51.5 | -104.4 | 0 | 0 | 0 | 110.3 | F2 K4 V8 I51 I52 I61 H177 V178 L181 | F2-F6 HydrophobicContact CB-CD1 4.42Å; F2-F6 HydrophobicContact CB-CE1 4.36Å; F2-F6 HydrophobicContact CD1-CD1 4.13Å; F2-F6 HydrophobicContact CD1-CE1 4.31Å; K4-F6 PolarHBondContact O-N 3.01Å; F6-V8 HydrophobicContact CD2-CG2 4.39Å; F6-V8 HydrophobicContact CE2-CG2 4.3Å; F6-I51 HydrophobicContact CB-CD1 4.29Å; F6-I51 HydrophobicContact CD1-CD1 4.07Å; F6-I51 HydrophobicContact CD2-CB 3.9Å; F6-I51 HydrophobicContact CD2-CD1 3.84Å; F6-I51 HydrophobicContact CD2-CG2 3.82Å; F6-I51 HydrophobicContact CE1-CD1 4.33Å; F6-I51 HydrophobicContact CE2-CB 4.45Å; F6-I51 HydrophobicContact CE2-CD1 4.16Å; F6-I51 HydrophobicContact CE2-CG2 3.93Å; F6-I51 HydrophobicContact CG-CB 4.45Å; F6-I51 HydrophobicContact CG-CD1 3.8Å; F6-I51 HydrophobicContact CZ-CD1 4.39Å; F6-I52 WeakPolarHBondContact CA-O 3.3Å; F6-I52 VanDerWaalsContact CB-O 3.29Å; F6-I52 WeakPolarHBondContact CB-O 3.47Å; F6-I61 HydrophobicContact CZ-CD1 4.4Å; F6-H177 HydrophobicContact CD1-CB 3.81Å; F6-H177 VanDerWaalsContact CE1-C 3.47Å; F6-H177 HydrophobicContact CE1-CB 3.36Å; F6-H177 HydrophobicContact CZ-CB 4.1Å; F6-H177 WeakPolarHBondContact CZ-O 3.08Å; F6-V178 HydrophobicContact CE1-CG2 3.76Å; F6-V178 HydrophobicContact CZ-CG2 4.14Å; F6-L181 HydrophobicContact CZ-CD1 4.16Å; F6-L181 HydrophobicContact CZ-CD2 4.49Å; F6-L181 HydrophobicContact CZ-CG 4.42Å | ||
| 7 | S | 87.7 | Confident | 90.6 | Very high | 67 Ų | 67 | 82.4 Ų | 82.4 | 47% | 0.469 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 140.1 | 174.4 | 64.8 | 0 | 0 | 0 | 0 | 110.4 | I51 I52 | S7-I51 CarbonylContact O-C 3.4Å; S7-I51 VanDerWaalsContact O-CA 3.23Å; S7-I51 WeakPolarHBondContact O-CA 3.41Å; S7-I52 PolarHBondContact N-O 3.28Å; S7-I52 PolarHBondContact O-N 3.06Å |
| 8 | V | 89.9 | Confident | 90.8 | Very high | 79 Ų | 79 | 81.2 Ų | 81.2 | 48% | 0.479 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 112.7 | 174.4 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | F6 I51 | F6-V8 HydrophobicContact CD2-CG2 4.39Å; F6-V8 HydrophobicContact CE2-CG2 4.3Å; V8-I51 HydrophobicContact CG2-CG2 4.09Å |
| 9 | R | 89.6 | Confident | 91 | Very high | 190 Ų | 190 | 78.7 Ų | 78.7 | 72% | 0.717 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -40 | 178.8 | -85.1 | -93.5 | -173.7 | 152.8 | 1 | 112.2 | K50 I52 | R9-K50 HydrophobicContact CB-CB 4.45Å; R9-K50 PolarHBondContact N-O 2.96Å; R9-I52 HydrophobicContact CG-CD1 3.69Å; R9-I52 HydrophobicContact CG-CG1 3.95Å; R9-I52 VanDerWaalsContact NE-CD1 3.27Å |
| 10 | S | 91.7 | Very high | 91.1 | Very high | 46 Ų | 46 | 81.8 Ų | 81.8 | 32% | 0.322 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 145.2 | -179.7 | 63.5 | 0 | 0 | 0 | 0 | 109.9 | S49 K50 | S10-S49 CarbonylContact O-C 3.47Å; S10-S49 WeakPolarHBondContact O-CA 3.39Å; S10-K50 PolarHBondContact N-O 3.11Å; S10-K50 PolarHBondContact O-N 3.25Å; S10-K50 WeakPolarHBondContact OG-CB 3.46Å; S10-K50 WeakPolarHBondContact OG-CD 3.46Å; S10-K50 WeakPolarHBondContact OG-CG 3.47Å |
| 11 | N | 92.2 | Very high | 91.3 | Very high | 89 Ų | 89 | 83.6 Ų | 83.6 | 48% | 0.476 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 121 | 168.1 | -172.9 | 27.2 | 0 | 0 | 0 | 108.1 | R48 S49 | N11-R48 WeakPolarHBondContact CA-O 3.48Å; N11-S49 PolarHBondContact OD1-OG 3.41Å |
| 12 | S | 93.7 | Very high | 91.8 | Very high | 45 Ų | 45 | 81.4 Ų | 81.4 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 137.7 | -173.8 | 59.7 | 0 | 0 | 0 | 0 | 110.8 | R48 | S12-R48 PolarHBondContact N-O 3.32Å; S12-R48 PolarHBondContact O-N 3.43Å |
| 13 | Q | 94.8 | Very high | 92 | Very high | 121 Ų | 121 | 82 Ų | 82 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 135.4 | 168.6 | -165.1 | 176.9 | 0.9 | 0 | 0 | 110 | V46 | Q13-V46 WeakPolarHBondContact CA-O 3.3Å; Q13-V46 WeakPolarHBondContact CG-O 3.49Å |
| 14 | I | 95.2 | Very high | 92.3 | Very high | 12 Ų | 12 | 82 Ų | 82 | 6% | 0.062 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -91 | 151.3 | 178.5 | 64.2 | 172.1 | 0 | 0 | 0 | 111.2 | E18 K19 L22 V46 R48 Y62 | I14-E18 WeakPolarHBondContact CA-OE2 3.26Å; I14-E18 HydrophobicContact CB-CB 4.17Å; I14-E18 WeakPolarHBondContact CB-OE2 3.46Å; I14-K19 HydrophobicContact CD1-CB 3.88Å; I14-K19 HydrophobicContact CG1-CB 4.35Å; I14-L22 HydrophobicContact CD1-CD2 4.37Å; I14-V46 HydrophobicContact CD1-CB 4.05Å; I14-V46 HydrophobicContact CD1-CG1 3.54Å; I14-V46 HydrophobicContact CG1-CB 3.82Å; I14-V46 HydrophobicContact CG1-CG1 3.79Å; I14-V46 PolarHBondContact N-O 3.29Å; I14-R48 HydrophobicContact CG2-CB 3.48Å; I14-R48 VanDerWaalsContact CG2-CB 3.48Å; I14-Y62 HydrophobicContact CD1-CD1 4.21Å; I14-Y62 HydrophobicContact CD1-CE1 4.35Å; I14-Y62 HydrophobicContact CG2-CE1 4.38Å |
| 15 | K | 93.9 | Very high | 92.6 | Very high | 159 Ų | 159 | 78 Ų | 78 | 69% | 0.691 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 155.7 | 177 | -64.4 | 179.9 | -178.7 | 178.1 | 0 | 110.6 | C17 E18 K19 | K15-C17 PolarHBondContact O-N 2.91Å; K15-C17 VanDerWaalsContact O-N 3.16Å; K15-E18 HydrophobicContact CB-CG 4.4Å; K15-E18 PolarHBondContact N-OE2 3.22Å; K15-E18 WeakPolarHBondContact O-CB 2.92Å; K15-E18 PolarHBondContact O-N 3.21Å; K15-K19 PolarHBondContact O-N 3.49Å |
| 16 | S | 91.7 | Very high | 93 | Very high | 104 Ų | 104 | 73.6 Ų | 73.6 | 73% | 0.727 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -55.7 | -34.6 | 176.4 | -53.9 | 0 | 0 | 0 | 0 | 113.4 | K20 | S16-K20 PolarHBondContact O-N 2.92Å |
| 17 | C | 93.4 | Very high | 93.2 | Very high | 87 Ų | 87 | 73.1 Ų | 73.1 | 59% | 0.588 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.2 | -46.8 | 175.2 | -172.3 | 0 | 0 | 0 | 0 | 111.8 | K15 K19 K20 Q21 | K15-C17 PolarHBondContact O-N 2.91Å; K15-C17 VanDerWaalsContact O-N 3.16Å; C17-K19 VanDerWaalsContact C-N 3.33Å; C17-K19 PolarHBondContact O-N 3.4Å; C17-K20 PolarHBondContact O-N 3.25Å; C17-Q21 WeakPolarHBondContact O-CG 3.35Å; C17-Q21 PolarHBondContact O-N 3.12Å |
| 18 | E | 94.2 | Very high | 93.5 | Very high | 61 Ų | 61 | 77.8 Ų | 77.8 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 175.9 | -67.4 | 178.6 | 128.3 | 0 | 0 | 111.2 | I14 K15 K20 Q21 L22 R48 | I14-E18 WeakPolarHBondContact CA-OE2 3.26Å; I14-E18 HydrophobicContact CB-CB 4.17Å; I14-E18 WeakPolarHBondContact CB-OE2 3.46Å; K15-E18 HydrophobicContact CB-CG 4.4Å; K15-E18 PolarHBondContact N-OE2 3.22Å; K15-E18 WeakPolarHBondContact O-CB 2.92Å; K15-E18 PolarHBondContact O-N 3.21Å; E18-K20 VanDerWaalsContact C-N 3.34Å; E18-K20 PolarHBondContact O-N 3.16Å; E18-Q21 PolarHBondContact O-N 2.93Å; E18-L22 WeakPolarHBondContact O-CB 3.38Å; E18-L22 PolarHBondContact O-N 2.89Å; E18-R48 IonicContact OE1-CZ 2.75Å; E18-R48 IonicContact OE1-NH1 3.53Å; E18-R48 IonicContact OE1-NH2 3.99Å; E18-R48 PolarHBondContact OE1-NH2 3.26Å |
| 19 | K | 94.5 | Very high | 93.7 | Very high | 34 Ų | 34 | 77.5 Ų | 77.5 | 15% | 0.148 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -58.5 | -46 | 174.4 | -177.9 | -167.7 | 171.5 | -172.7 | 0 | 111.2 | I14 K15 C17 Q21 L22 L23 F41 T43 V46 | I14-K19 HydrophobicContact CD1-CB 3.88Å; I14-K19 HydrophobicContact CG1-CB 4.35Å; K15-K19 PolarHBondContact O-N 3.49Å; C17-K19 VanDerWaalsContact C-N 3.33Å; C17-K19 PolarHBondContact O-N 3.4Å; K19-Q21 VanDerWaalsContact C-N 3.34Å; K19-L22 PolarHBondContact O-N 2.85Å; K19-L23 HydrophobicContact CG-CD1 4.15Å; K19-L23 WeakPolarHBondContact O-CG 3.39Å; K19-L23 PolarHBondContact O-N 3.03Å; K19-F41 WeakPolarHBondContact CE-O 3.46Å; K19-F41 PolarHBondContact NZ-O 3.45Å; K19-T43 PolarHBondContact NZ-O 2.83Å; K19-V46 HydrophobicContact CD-CG2 3.8Å; K19-V46 HydrophobicContact CG-CG2 4.19Å |
| 20 | K | 93.1 | Very high | 93.9 | Very high | 140 Ų | 140 | 70.6 Ų | 70.6 | 61% | 0.609 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -63.2 | -41.8 | 179.3 | -169.8 | 176.7 | 179.1 | 179.6 | 0 | 111.3 | S16 C17 E18 L23 N24 | S16-K20 PolarHBondContact O-N 2.92Å; C17-K20 PolarHBondContact O-N 3.25Å; E18-K20 VanDerWaalsContact C-N 3.34Å; E18-K20 PolarHBondContact O-N 3.16Å; K20-L23 PolarHBondContact O-N 2.9Å; K20-N24 WeakPolarHBondContact O-CB 2.95Å; K20-N24 PolarHBondContact O-N 2.82Å; K20-N24 PolarHBondContact O-OD1 3.28Å |
| 21 | Q | 94.5 | Very high | 93.9 | Very high | 119 Ų | 119 | 71.9 Ų | 71.9 | 56% | 0.556 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.4 | -48.3 | 175.6 | -71.9 | 174.4 | -18.8 | 0 | 0 | 112 | C17 E18 K19 L23 N24 S25 | C17-Q21 WeakPolarHBondContact O-CG 3.35Å; C17-Q21 PolarHBondContact O-N 3.12Å; E18-Q21 PolarHBondContact O-N 2.93Å; K19-Q21 VanDerWaalsContact C-N 3.34Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 2.98Å; Q21-N24 PolarHBondContact O-N 3.23Å; Q21-S25 PolarHBondContact O-N 3.34Å; Q21-S25 PolarHBondContact O-OG 2.92Å |
| 22 | L | 94.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 69.5 Ų | 69.5 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -54.7 | -49.3 | 176 | 172.4 | 68.4 | 0 | 0 | 0 | 111.9 | I14 E18 K19 S25 F26 Y62 F64 I70 | I14-L22 HydrophobicContact CD1-CD2 4.37Å; E18-L22 WeakPolarHBondContact O-CB 3.38Å; E18-L22 PolarHBondContact O-N 2.89Å; K19-L22 PolarHBondContact O-N 2.85Å; L22-S25 PolarHBondContact O-N 3.2Å; L22-F26 WeakPolarHBondContact O-CB 3.37Å; L22-F26 PolarHBondContact O-N 2.74Å; L22-Y62 HydrophobicContact CD1-CD2 3.81Å; L22-Y62 HydrophobicContact CD1-CE1 4.42Å; L22-Y62 HydrophobicContact CD1-CE2 3.61Å; L22-Y62 HydrophobicContact CD1-CG 4.31Å; L22-Y62 HydrophobicContact CD2-CD1 3.48Å; L22-Y62 VanDerWaalsContact CD2-CD1 3.48Å; L22-Y62 HydrophobicContact CD2-CD2 3.87Å; L22-Y62 HydrophobicContact CD2-CE1 3.85Å; L22-Y62 HydrophobicContact CD2-CE2 4.21Å; L22-Y62 HydrophobicContact CD2-CG 3.48Å; L22-Y62 VanDerWaalsContact CD2-CG 3.48Å; L22-F64 HydrophobicContact CD2-CZ 4.25Å; L22-I70 HydrophobicContact CD1-CG2 4.45Å |
| 23 | L | 94.7 | Very high | 93.4 | Very high | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.7 | -41.1 | -178.4 | -69.2 | 177.7 | 0 | 0 | 0 | 111.8 | K19 K20 Q21 S25 F26 Y27 F41 F64 I70 | K19-L23 HydrophobicContact CG-CD1 4.15Å; K19-L23 WeakPolarHBondContact O-CG 3.39Å; K19-L23 PolarHBondContact O-N 3.03Å; K20-L23 PolarHBondContact O-N 2.9Å; Q21-L23 VanDerWaalsContact C-N 3.34Å; Q21-L23 PolarHBondContact O-N 2.98Å; L23-S25 PolarHBondContact O-N 2.87Å; L23-F26 PolarHBondContact O-N 2.94Å; L23-Y27 HydrophobicContact CB-CD2 4.43Å; L23-Y27 HydrophobicContact CB-CE2 3.84Å; L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 WeakPolarHBondContact O-CD2 3.1Å; L23-Y27 PolarHBondContact O-N 2.97Å; L23-F41 HydrophobicContact CD1-CB 3.86Å; L23-F41 HydrophobicContact CD1-CG 4.38Å; L23-F41 HydrophobicContact CD2-CB 3.98Å; L23-F41 HydrophobicContact CD2-CD1 3.6Å; L23-F41 HydrophobicContact CD2-CD2 4.03Å; L23-F41 HydrophobicContact CD2-CE1 4Å; L23-F41 HydrophobicContact CD2-CE2 4.4Å; L23-F41 HydrophobicContact CD2-CG 3.59Å; L23-F41 HydrophobicContact CD2-CZ 4.38Å; L23-F64 HydrophobicContact CD2-CE1 4.2Å; L23-F64 HydrophobicContact CD2-CZ 3.91Å; L23-I70 HydrophobicContact CD2-CD1 4.37Å |
| 24 | N | 94.2 | Very high | 93 | Very high | 84 Ų | 84 | 68.5 Ų | 68.5 | 45% | 0.449 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.1 | -74.4 | 1.6 | 0 | 0 | 0 | 111.6 | K20 Q21 F26 Y27 E28 | K20-N24 WeakPolarHBondContact O-CB 2.95Å; K20-N24 PolarHBondContact O-N 2.82Å; K20-N24 PolarHBondContact O-OD1 3.28Å; Q21-N24 PolarHBondContact O-N 3.23Å; N24-F26 VanDerWaalsContact C-N 3.32Å; N24-F26 PolarHBondContact O-N 2.84Å; N24-Y27 PolarHBondContact O-N 2.93Å; N24-E28 WeakPolarHBondContact O-CB 3.33Å; N24-E28 PolarHBondContact O-N 3.45Å |
| 25 | S | 94.6 | Very high | 92.5 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 36% | 0.357 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 177 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | Q21 L22 L23 Q29 H77 | Q21-S25 PolarHBondContact O-N 3.34Å; Q21-S25 PolarHBondContact O-OG 2.92Å; L22-S25 PolarHBondContact O-N 3.2Å; L23-S25 PolarHBondContact O-N 2.87Å; S25-Q29 WeakPolarHBondContact O-CB 3.46Å; S25-Q29 PolarHBondContact O-N 2.68Å; S25-H77 VanDerWaalsContact CB-CE1 3.46Å; S25-H77 WeakPolarHBondContact CB-CE1 3.31Å |
| 26 | F | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 173.6 | -176.8 | -95.4 | 0 | 0 | 0 | 111.8 | L22 L23 N24 Q29 Y30 L32 F41 I70 H77 L83 L90 | L22-F26 WeakPolarHBondContact O-CB 3.37Å; L22-F26 PolarHBondContact O-N 2.74Å; L23-F26 PolarHBondContact O-N 2.94Å; N24-F26 VanDerWaalsContact C-N 3.32Å; N24-F26 PolarHBondContact O-N 2.84Å; F26-Q29 PolarHBondContact O-N 2.98Å; F26-Y30 HydrophobicContact CD1-CD2 4.35Å; F26-Y30 AromaticContact CD2-CD2 3.91Å; F26-Y30 HydrophobicContact CD2-CD2 3.91Å; F26-Y30 AromaticContact CD2-CE2 3.83Å; F26-Y30 HydrophobicContact CD2-CE2 3.83Å; F26-Y30 HydrophobicContact CE1-CD2 4.06Å; F26-Y30 AromaticContact CE2-CD2 3.59Å; F26-Y30 HydrophobicContact CE2-CD2 3.59Å; F26-Y30 AromaticContact CE2-CE2 3.36Å; F26-Y30 HydrophobicContact CE2-CE2 3.36Å; F26-Y30 HydrophobicContact CG-CD2 4.27Å; F26-Y30 AromaticContact CZ-CD2 3.66Å; F26-Y30 HydrophobicContact CZ-CD2 3.66Å; F26-Y30 AromaticContact CZ-CE2 3.81Å; F26-Y30 HydrophobicContact CZ-CE2 3.81Å; F26-Y30 WeakPolarHBondContact O-CD2 3.45Å; F26-Y30 PolarHBondContact O-N 3.27Å; F26-L32 HydrophobicContact CD1-CD1 4.14Å; F26-L32 HydrophobicContact CE1-CD1 3.64Å; F26-F41 HydrophobicContact CD1-CZ 4.44Å; F26-F41 HydrophobicContact CE1-CZ 4.19Å; F26-I70 HydrophobicContact CB-CD1 4.31Å; F26-I70 HydrophobicContact CD1-CD1 4.45Å; F26-I70 HydrophobicContact CD2-CD1 3.84Å; F26-I70 HydrophobicContact CD2-CG1 4.11Å; F26-I70 HydrophobicContact CD2-CG2 4.24Å; F26-I70 HydrophobicContact CE2-CD1 4.29Å; F26-I70 HydrophobicContact CE2-CG1 4.13Å; F26-I70 HydrophobicContact CG-CD1 3.94Å; F26-H77 HydrophobicContact CD2-CB 3.7Å; F26-H77 HydrophobicContact CE2-CB 4.41Å; F26-L83 HydrophobicContact CE1-CD2 4.15Å; F26-L83 HydrophobicContact CE2-CD2 4.1Å; F26-L83 HydrophobicContact CZ-CD2 3.51Å; F26-L90 HydrophobicContact CZ-CD2 3.9Å |
| 27 | Y | 94.4 | Very high | 91.4 | Very high | 22 Ų | 22 | 66.2 Ų | 66.2 | 9% | 0.086 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 178.9 | -60.3 | -31 | 0 | 0 | 0 | 112 | L23 N24 Q29 Y30 G31 L32 P34 V37 F41 | L23-Y27 HydrophobicContact CB-CD2 4.43Å; L23-Y27 HydrophobicContact CB-CE2 3.84Å; L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 WeakPolarHBondContact O-CD2 3.1Å; L23-Y27 PolarHBondContact O-N 2.97Å; N24-Y27 PolarHBondContact O-N 2.93Å; Y27-Q29 PolarHBondContact O-N 3.47Å; Y27-Y30 CarbonylContact O-C 3.56Å; Y27-Y30 PolarHBondContact O-N 3.36Å; Y27-G31 WeakPolarHBondContact O-CA 3.29Å; Y27-G31 PolarHBondContact O-N 3.26Å; Y27-L32 HydrophobicContact CD1-CB 4Å; Y27-L32 HydrophobicContact CD1-CD1 4.19Å; Y27-L32 PolarHBondContact O-N 2.84Å; Y27-P34 HydrophobicContact CD2-CB 4.08Å; Y27-P34 HydrophobicContact CD2-CG 3.73Å; Y27-P34 HydrophobicContact CE2-CB 3.8Å; Y27-P34 HydrophobicContact CE2-CG 4Å; Y27-P34 HydrophobicContact CG-CG 4.45Å; Y27-V37 HydrophobicContact CD1-CG2 4.21Å; Y27-V37 HydrophobicContact CE1-CG2 3.49Å; Y27-V37 VanDerWaalsContact CE1-CG2 3.49Å; Y27-F41 HydrophobicContact CE1-CD2 4.09Å; Y27-F41 AromaticContact CE1-CE2 3.93Å; Y27-F41 HydrophobicContact CE1-CE2 3.93Å; Y27-F41 WeakPolarHBondContact OH-CD2 3.43Å |
| 28 | E | 94.3 | Very high | 90.8 | Very high | 164 Ų | 164 | 65.2 Ų | 65.2 | 77% | 0.766 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.8 | -43.8 | 175.3 | -172.8 | 178.5 | -176.9 | 0 | 0 | 111.5 | N24 Y30 | N24-E28 WeakPolarHBondContact O-CB 3.33Å; N24-E28 PolarHBondContact O-N 3.45Å; E28-Y30 VanDerWaalsContact C-N 3.26Å; E28-Y30 PolarHBondContact O-N 3.46Å |
| 29 | Q | 94.5 | Very high | 90.4 | Very high | 74 Ų | 74 | 68.9 Ų | 68.9 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.1 | -31.5 | 179.8 | -168.7 | -175.3 | -48.9 | 0 | 0 | 113.2 | S25 F26 Y27 H77 | S25-Q29 WeakPolarHBondContact O-CB 3.46Å; S25-Q29 PolarHBondContact O-N 2.68Å; F26-Q29 PolarHBondContact O-N 2.98Å; Y27-Q29 PolarHBondContact O-N 3.47Å; Q29-H77 PolarHBondContact NE2-O 3.5Å; Q29-H77 PolarHBondContact OE1-ND1 2.91Å |
| 30 | Y | 92.9 | Very high | 90.1 | Very high | 45 Ų | 45 | 69.1 Ų | 69.1 | 18% | 0.176 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -110.4 | 2.5 | -175.3 | -70.9 | -69.4 | 0 | 0 | 0 | 114.6 | F26 Y27 E28 L32 H77 P79 L90 L91 L134 | F26-Y30 HydrophobicContact CD1-CD2 4.35Å; F26-Y30 AromaticContact CD2-CD2 3.91Å; F26-Y30 HydrophobicContact CD2-CD2 3.91Å; F26-Y30 AromaticContact CD2-CE2 3.83Å; F26-Y30 HydrophobicContact CD2-CE2 3.83Å; F26-Y30 HydrophobicContact CE1-CD2 4.06Å; F26-Y30 AromaticContact CE2-CD2 3.59Å; F26-Y30 HydrophobicContact CE2-CD2 3.59Å; F26-Y30 AromaticContact CE2-CE2 3.36Å; F26-Y30 HydrophobicContact CE2-CE2 3.36Å; F26-Y30 HydrophobicContact CG-CD2 4.27Å; F26-Y30 AromaticContact CZ-CD2 3.66Å; F26-Y30 HydrophobicContact CZ-CD2 3.66Å; F26-Y30 AromaticContact CZ-CE2 3.81Å; F26-Y30 HydrophobicContact CZ-CE2 3.81Å; F26-Y30 WeakPolarHBondContact O-CD2 3.45Å; F26-Y30 PolarHBondContact O-N 3.27Å; Y27-Y30 CarbonylContact O-C 3.56Å; Y27-Y30 PolarHBondContact O-N 3.36Å; E28-Y30 VanDerWaalsContact C-N 3.26Å; E28-Y30 PolarHBondContact O-N 3.46Å; Y30-L32 PolarHBondContact O-N 3.28Å; Y30-H77 PolarHBondContact OH-O 3.24Å; Y30-P79 WeakPolarHBondContact OH-CD 3.41Å; Y30-L90 HydrophobicContact CD1-CD1 3.8Å; Y30-L90 HydrophobicContact CD1-CG 4.05Å; Y30-L90 HydrophobicContact CD2-CD1 4.42Å; Y30-L90 HydrophobicContact CE1-CG 4.42Å; Y30-L90 HydrophobicContact CG-CD1 3.71Å; Y30-L90 HydrophobicContact CG-CG 4.3Å; Y30-L91 HydrophobicContact CD1-CD2 4.44Å; Y30-L91 HydrophobicContact CE1-CD2 3.72Å; Y30-L134 WeakPolarHBondContact OH-CD2 3.3Å |
| 31 | G | 91.5 | Very high | 89.9 | Confident | 72 Ų | 72 | 62.7 Ų | 62.7 | 74% | 0.742 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 34.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y27 | Y27-G31 WeakPolarHBondContact O-CA 3.29Å; Y27-G31 PolarHBondContact O-N 3.26Å |
| 32 | L | 89.1 | Confident | 89.6 | Confident | 40 Ų | 40 | 63.7 Ų | 63.7 | 21% | 0.209 | 35% | 0.35 | C | S | . | . | trans | -87.2 | 136.4 | -177.2 | -67.8 | 171.5 | 0 | 0 | 0 | 111.5 | F26 Y27 Y30 P34 L90 | F26-L32 HydrophobicContact CD1-CD1 4.14Å; F26-L32 HydrophobicContact CE1-CD1 3.64Å; Y27-L32 HydrophobicContact CD1-CB 4Å; Y27-L32 HydrophobicContact CD1-CD1 4.19Å; Y27-L32 PolarHBondContact O-N 2.84Å; Y30-L32 PolarHBondContact O-N 3.28Å; L32-P34 WeakPolarHBondContact O-CD 3.45Å; L32-L90 HydrophobicContact CD1-CD1 3.76Å; L32-L90 HydrophobicContact CD2-CD1 3.9Å; L32-L90 HydrophobicContact CG-CD1 4.06Å | ||
| 33 | D | 86.9 | Confident | 89.4 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 41% | 0.412 | 36% | 0.363 | S | S | . | . | trans | -76.2 | 120.6 | 166.6 | -175.4 | -16.4 | 0 | 0 | 0 | 110 | T35 N36 | D33-T35 PolarHBondContact O-N 2.9Å; D33-T35 VanDerWaalsContact O-N 3.14Å; D33-T35 WeakPolarHBondContact OD1-CB 3.14Å; D33-T35 WeakPolarHBondContact OD1-CG2 3.43Å; D33-T35 PolarHBondContact OD1-N 3.48Å; D33-T35 PolarHBondContact OD1-OG1 3.21Å; D33-T35 PolarHBondContact OD2-OG1 3.1Å; D33-N36 PolarHBondContact O-N 3.32Å | ||
| 34 | P | 85 | Confident | 89 | Confident | 67 Ų | 67 | 73.8 Ų | 73.8 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -55.2 | -29.2 | 178 | -22.7 | 31.2 | 0 | 0 | 0 | 114.3 | Y27 L32 S38 | Y27-P34 HydrophobicContact CD2-CB 4.08Å; Y27-P34 HydrophobicContact CD2-CG 3.73Å; Y27-P34 HydrophobicContact CE2-CB 3.8Å; Y27-P34 HydrophobicContact CE2-CG 4Å; Y27-P34 HydrophobicContact CG-CG 4.45Å; L32-P34 WeakPolarHBondContact O-CD 3.45Å; P34-S38 WeakPolarHBondContact O-CB 3.31Å; P34-S38 PolarHBondContact O-N 3.04Å; P34-S38 VanDerWaalsContact O-N 3.13Å |
| 35 | T | 84.6 | Confident | 88.9 | Confident | 93 Ų | 93 | 72.7 Ų | 72.7 | 57% | 0.571 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.3 | -42.6 | -177.2 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | D33 V37 S38 | D33-T35 PolarHBondContact O-N 2.9Å; D33-T35 VanDerWaalsContact O-N 3.14Å; D33-T35 WeakPolarHBondContact OD1-CB 3.14Å; D33-T35 WeakPolarHBondContact OD1-CG2 3.43Å; D33-T35 PolarHBondContact OD1-N 3.48Å; D33-T35 PolarHBondContact OD1-OG1 3.21Å; D33-T35 PolarHBondContact OD2-OG1 3.1Å; T35-V37 VanDerWaalsContact C-N 3.35Å; T35-V37 PolarHBondContact O-N 3.46Å; T35-S38 PolarHBondContact O-OG 3.16Å; T35-S38 VanDerWaalsContact O-OG 3.09Å |
| 36 | N | 80.1 | Confident | 88.9 | Confident | 127 Ų | 127 | 70.3 Ų | 70.3 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -72 | -23.8 | -176.3 | -69.4 | -31.3 | 0 | 0 | 0 | 114 | D33 | D33-N36 PolarHBondContact O-N 3.32Å |
| 37 | V | 83.8 | Confident | 88.9 | Confident | 7 Ų | 7 | 72.7 Ų | 72.7 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -117.1 | 5.9 | -174.8 | -58.9 | 0 | 0 | 0 | 0 | 113.8 | Y27 T35 E39 I40 F41 L87 | Y27-V37 HydrophobicContact CD1-CG2 4.21Å; Y27-V37 HydrophobicContact CE1-CG2 3.49Å; Y27-V37 VanDerWaalsContact CE1-CG2 3.49Å; T35-V37 VanDerWaalsContact C-N 3.35Å; T35-V37 PolarHBondContact O-N 3.46Å; V37-E39 VanDerWaalsContact C-N 3.27Å; V37-E39 PolarHBondContact O-N 2.92Å; V37-I40 HydrophobicContact CB-CD1 4.49Å; V37-I40 WeakPolarHBondContact O-CB 3.43Å; V37-I40 PolarHBondContact O-N 2.81Å; V37-F41 HydrophobicContact CB-CE2 4.41Å; V37-F41 HydrophobicContact CG2-CD2 4.38Å; V37-F41 HydrophobicContact CG2-CE2 4.26Å; V37-L87 HydrophobicContact CB-CD1 4.48Å; V37-L87 HydrophobicContact CG1-CD1 3.93Å; V37-L87 HydrophobicContact CG1-CD2 3.77Å |
| 38 | S | 80.5 | Confident | 89 | Confident | 67 Ų | 67 | 73.9 Ų | 73.9 | 47% | 0.469 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -34.8 | -175.5 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | P34 T35 I40 F41 K42 | P34-S38 WeakPolarHBondContact O-CB 3.31Å; P34-S38 PolarHBondContact O-N 3.04Å; P34-S38 VanDerWaalsContact O-N 3.13Å; T35-S38 PolarHBondContact O-OG 3.16Å; T35-S38 VanDerWaalsContact O-OG 3.09Å; S38-I40 VanDerWaalsContact C-N 3.33Å; S38-I40 PolarHBondContact O-N 2.61Å; S38-F41 PolarHBondContact O-N 3.32Å; S38-K42 PolarHBondContact O-N 3.31Å; S38-K42 VanDerWaalsContact O-N 3.13Å |
| 39 | E | 85.4 | Confident | 89 | Confident | 138 Ų | 138 | 66.3 Ų | 66.3 | 65% | 0.645 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -40.5 | 179.6 | -160.9 | 95.7 | -118.5 | 0 | 0 | 111.9 | V37 F41 K42 | V37-E39 VanDerWaalsContact C-N 3.27Å; V37-E39 PolarHBondContact O-N 2.92Å; E39-F41 VanDerWaalsContact C-N 3.32Å; E39-F41 PolarHBondContact O-N 3.06Å; E39-K42 VanDerWaalsContact O-CB 3.25Å; E39-K42 WeakPolarHBondContact O-CB 2.72Å; E39-K42 PolarHBondContact O-N 3.32Å; E39-K42 IonicContact OE1-NZ 2.69Å; E39-K42 PolarHBondContact OE1-NZ 3.03Å |
| 40 | I | 87.5 | Confident | 89 | Confident | 38 Ų | 38 | 67 Ų | 67 | 20% | 0.195 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -40.3 | -178.1 | -66.2 | 167.9 | 0 | 0 | 0 | 110.9 | V37 S38 L69 L83 Q86 L87 | V37-I40 HydrophobicContact CB-CD1 4.49Å; V37-I40 WeakPolarHBondContact O-CB 3.43Å; V37-I40 PolarHBondContact O-N 2.81Å; S38-I40 VanDerWaalsContact C-N 3.33Å; S38-I40 PolarHBondContact O-N 2.61Å; I40-L69 HydrophobicContact CG2-CD1 4Å; I40-L83 HydrophobicContact CG2-CD1 3.85Å; I40-Q86 HydrophobicContact CD1-CB 3.97Å; I40-Q86 HydrophobicContact CG1-CB 4.35Å; I40-L87 HydrophobicContact CD1-CD1 3.79Å; I40-L87 HydrophobicContact CD1-CD2 3.63Å; I40-L87 HydrophobicContact CD1-CG 3.52Å |
| 41 | F | 90.7 | Very high | 89.1 | Confident | 5 Ų | 5 | 65 Ų | 65 | 2% | 0.022 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 16.1 | -175.7 | -56.4 | -69.3 | 0 | 0 | 0 | 113.3 | K19 L23 F26 Y27 V37 S38 E39 T43 F64 L69 I70 L83 | K19-F41 WeakPolarHBondContact CE-O 3.46Å; K19-F41 PolarHBondContact NZ-O 3.45Å; L23-F41 HydrophobicContact CD1-CB 3.86Å; L23-F41 HydrophobicContact CD1-CG 4.38Å; L23-F41 HydrophobicContact CD2-CB 3.98Å; L23-F41 HydrophobicContact CD2-CD1 3.6Å; L23-F41 HydrophobicContact CD2-CD2 4.03Å; L23-F41 HydrophobicContact CD2-CE1 4Å; L23-F41 HydrophobicContact CD2-CE2 4.4Å; L23-F41 HydrophobicContact CD2-CG 3.59Å; L23-F41 HydrophobicContact CD2-CZ 4.38Å; F26-F41 HydrophobicContact CD1-CZ 4.44Å; F26-F41 HydrophobicContact CE1-CZ 4.19Å; Y27-F41 HydrophobicContact CE1-CD2 4.09Å; Y27-F41 AromaticContact CE1-CE2 3.93Å; Y27-F41 HydrophobicContact CE1-CE2 3.93Å; Y27-F41 WeakPolarHBondContact OH-CD2 3.43Å; V37-F41 HydrophobicContact CB-CE2 4.41Å; V37-F41 HydrophobicContact CG2-CD2 4.38Å; V37-F41 HydrophobicContact CG2-CE2 4.26Å; S38-F41 PolarHBondContact O-N 3.32Å; E39-F41 VanDerWaalsContact C-N 3.32Å; E39-F41 PolarHBondContact O-N 3.06Å; F41-T43 VanDerWaalsContact C-N 3.33Å; F41-T43 PolarHBondContact O-N 2.81Å; F41-F64 HydrophobicContact CB-CD1 4.46Å; F41-F64 HydrophobicContact CB-CE1 4.11Å; F41-F64 AromaticContact CD1-CD1 3.95Å; F41-F64 HydrophobicContact CD1-CD1 3.95Å; F41-F64 AromaticContact CD1-CE1 3.58Å; F41-F64 HydrophobicContact CD1-CE1 3.58Å; F41-F64 HydrophobicContact CD1-CE2 4.22Å; F41-F64 HydrophobicContact CD1-CG 4.42Å; F41-F64 AromaticContact CD1-CZ 3.73Å; F41-F64 HydrophobicContact CD1-CZ 3.73Å; F41-F64 HydrophobicContact CE1-CE2 4.41Å; F41-F64 HydrophobicContact CE1-CZ 4.25Å; F41-F64 HydrophobicContact CG-CE1 4.3Å; F41-L69 HydrophobicContact CD1-CD1 4.12Å; F41-L69 HydrophobicContact CE1-CB 4.46Å; F41-L69 HydrophobicContact CE1-CD1 3.93Å; F41-I70 HydrophobicContact CE1-CD1 4.03Å; F41-I70 HydrophobicContact CE1-CG1 4.49Å; F41-I70 HydrophobicContact CZ-CD1 4.46Å; F41-L83 HydrophobicContact CE1-CD1 4.25Å; F41-L83 HydrophobicContact CZ-CD1 3.81Å; F41-L83 HydrophobicContact CZ-CD2 4.1Å |
| 42 | K | 88.3 | Confident | 89.1 | Confident | 140 Ų | 140 | 62.1 Ų | 62.1 | 61% | 0.609 | 32% | 0.317 | S | S | * | . | trans | -65.4 | -31.2 | -172.6 | -168.7 | 176.5 | -170.2 | 172.8 | 0 | 114 | S38 E39 K44 | S38-K42 PolarHBondContact O-N 3.31Å; S38-K42 VanDerWaalsContact O-N 3.13Å; E39-K42 VanDerWaalsContact O-CB 3.25Å; E39-K42 WeakPolarHBondContact O-CB 2.72Å; E39-K42 PolarHBondContact O-N 3.32Å; E39-K42 IonicContact OE1-NZ 2.69Å; E39-K42 PolarHBondContact OE1-NZ 3.03Å; K42-K44 PolarHBondContact O-N 3.1Å | ||
| 43 | T | 89 | Confident | 89.2 | Confident | 53 Ų | 53 | 60.5 Ų | 60.5 | 33% | 0.325 | 31% | 0.308 | S | S | . | . | trans | -59.7 | 137.2 | -176.1 | -174.1 | 0 | 0 | 0 | 0 | 112.7 | K19 F41 D45 V46 F64 | K19-T43 PolarHBondContact NZ-O 2.83Å; F41-T43 VanDerWaalsContact C-N 3.33Å; F41-T43 PolarHBondContact O-N 2.81Å; T43-D45 VanDerWaalsContact C-N 3.33Å; T43-D45 WeakPolarHBondContact CG2-O 3.42Å; T43-D45 PolarHBondContact OG1-N 3.03Å; T43-V46 HydrophobicContact CG2-CG2 4.47Å; T43-F64 HydrophobicContact CG2-CB 3.71Å; T43-F64 HydrophobicContact CG2-CD1 4.02Å; T43-F64 HydrophobicContact CG2-CG 4.36Å | ||
| 44 | K | 86.8 | Confident | 89.3 | Confident | 186 Ų | 186 | 59.6 Ų | 59.6 | 81% | 0.809 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -80.3 | -19.6 | 172.8 | -65.1 | -174.6 | -179.1 | 178.7 | 0 | 112.3 | K42 V46 | K42-K44 PolarHBondContact O-N 3.1Å; K44-V46 PolarHBondContact O-N 3.09Å |
| 45 | D | 91.7 | Very high | 89.4 | Confident | 60 Ų | 60 | 60.6 Ų | 60.6 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | trans | -81.2 | 99.6 | 178.4 | -177.8 | 18.9 | 0 | 0 | 0 | 109.6 | T43 H47 G65 | T43-D45 VanDerWaalsContact C-N 3.33Å; T43-D45 WeakPolarHBondContact CG2-O 3.42Å; T43-D45 PolarHBondContact OG1-N 3.03Å; D45-H47 IonicContact OD1-CE1 3.25Å; D45-H47 PolarHBondContact OD1-CE1 2.97Å; D45-H47 IonicContact OD1-ND1 2.63Å; D45-H47 PolarHBondContact OD1-ND1 3.43Å; D45-G65 PolarHBondContact O-N 2.83Å | ||
| 46 | V | 95.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 123.3 | 178.3 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | Q13 I14 K19 T43 K44 K63 F64 | Q13-V46 WeakPolarHBondContact CA-O 3.3Å; Q13-V46 WeakPolarHBondContact CG-O 3.49Å; I14-V46 HydrophobicContact CD1-CB 4.05Å; I14-V46 HydrophobicContact CD1-CG1 3.54Å; I14-V46 HydrophobicContact CG1-CB 3.82Å; I14-V46 HydrophobicContact CG1-CG1 3.79Å; I14-V46 PolarHBondContact N-O 3.29Å; K19-V46 HydrophobicContact CD-CG2 3.8Å; K19-V46 HydrophobicContact CG-CG2 4.19Å; T43-V46 HydrophobicContact CG2-CG2 4.47Å; K44-V46 PolarHBondContact O-N 3.09Å; V46-K63 CarbonylContact C-O 3.53Å; V46-K63 VanDerWaalsContact CA-O 3.25Å; V46-K63 WeakPolarHBondContact CA-O 3.43Å; V46-K63 WeakPolarHBondContact CG1-O 3.43Å; V46-F64 HydrophobicContact CG1-CD1 4.32Å; V46-F64 HydrophobicContact CG1-CD2 4.29Å; V46-F64 HydrophobicContact CG1-CE1 4.16Å; V46-F64 HydrophobicContact CG1-CE2 4.14Å; V46-F64 HydrophobicContact CG1-CG 4.39Å; V46-F64 HydrophobicContact CG1-CZ 4.07Å; V46-F64 HydrophobicContact CG2-CD1 3.59Å; V46-F64 HydrophobicContact CG2-CE1 3.74Å; V46-F64 HydrophobicContact CG2-CG 4.2Å; V46-F64 HydrophobicContact CG2-CZ 4.47Å |
| 47 | H | 94.9 | Very high | 90.1 | Very high | 50 Ų | 50 | 60 Ų | 60 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.3 | -178 | -77.4 | 80.7 | 0 | 0 | 0 | 111.2 | D45 Y62 K63 | D45-H47 IonicContact OD1-CE1 3.25Å; D45-H47 PolarHBondContact OD1-CE1 2.97Å; D45-H47 IonicContact OD1-ND1 2.63Å; D45-H47 PolarHBondContact OD1-ND1 3.43Å; H47-Y62 WeakPolarHBondContact O-CA 3.34Å; H47-K63 HydrophobicContact CB-CB 4.4Å; H47-K63 PolarHBondContact N-O 3.47Å; H47-K63 PolarHBondContact O-N 3.24Å |
| 48 | R | 96 | Very high | 90.5 | Very high | 48 Ų | 48 | 67.3 Ų | 67.3 | 18% | 0.181 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 113.9 | 170.4 | 177.1 | 175.4 | 57.3 | -156 | -9.8 | 109.4 | N11 S12 I14 E18 K50 N60 Y62 | N11-R48 WeakPolarHBondContact CA-O 3.48Å; S12-R48 PolarHBondContact N-O 3.32Å; S12-R48 PolarHBondContact O-N 3.43Å; I14-R48 HydrophobicContact CG2-CB 3.48Å; I14-R48 VanDerWaalsContact CG2-CB 3.48Å; E18-R48 IonicContact OE1-CZ 2.75Å; E18-R48 IonicContact OE1-NH1 3.53Å; E18-R48 IonicContact OE1-NH2 3.99Å; E18-R48 PolarHBondContact OE1-NH2 3.26Å; R48-K50 HydrophobicContact CG-CG 4.43Å; R48-N60 HydrophobicContact CG-CB 4.23Å; R48-Y62 HydrophobicContact CB-CD1 3.95Å; R48-Y62 HydrophobicContact CB-CE1 3.76Å; R48-Y62 HydrophobicContact CG-CD1 4.25Å; R48-Y62 HydrophobicContact CG-CE1 3.73Å |
| 49 | S | 94.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 3% | 0.028 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 112.2 | 168.8 | -66.6 | 0 | 0 | 0 | 0 | 109.6 | S10 N11 I61 | S10-S49 CarbonylContact O-C 3.47Å; S10-S49 WeakPolarHBondContact O-CA 3.39Å; N11-S49 PolarHBondContact OD1-OG 3.41Å; S49-I61 PolarHBondContact N-O 3.03Å; S49-I61 PolarHBondContact O-N 3.34Å |
| 50 | K | 94.4 | Very high | 91.7 | Very high | 89 Ų | 89 | 59.3 Ų | 59.3 | 39% | 0.387 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 118 | 171.9 | -57.6 | -168.2 | 176.6 | 175.2 | 0 | 108.5 | R9 S10 R48 N60 | R9-K50 HydrophobicContact CB-CB 4.45Å; R9-K50 PolarHBondContact N-O 2.96Å; S10-K50 PolarHBondContact N-O 3.11Å; S10-K50 PolarHBondContact O-N 3.25Å; S10-K50 WeakPolarHBondContact OG-CB 3.46Å; S10-K50 WeakPolarHBondContact OG-CD 3.46Å; S10-K50 WeakPolarHBondContact OG-CG 3.47Å; R48-K50 HydrophobicContact CG-CG 4.43Å; K50-N60 WeakPolarHBondContact CG-OD1 3.5Å |
| 51 | I | 94.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 155 | -176.7 | 67.3 | 157.4 | 0 | 0 | 0 | 111.6 | F2 F6 S7 V8 K58 V59 I61 | F2-I51 HydrophobicContact CD1-CD1 4.01Å; F2-I51 HydrophobicContact CE1-CD1 3.72Å; F6-I51 HydrophobicContact CB-CD1 4.29Å; F6-I51 HydrophobicContact CD1-CD1 4.07Å; F6-I51 HydrophobicContact CD2-CB 3.9Å; F6-I51 HydrophobicContact CD2-CD1 3.84Å; F6-I51 HydrophobicContact CD2-CG2 3.82Å; F6-I51 HydrophobicContact CE1-CD1 4.33Å; F6-I51 HydrophobicContact CE2-CB 4.45Å; F6-I51 HydrophobicContact CE2-CD1 4.16Å; F6-I51 HydrophobicContact CE2-CG2 3.93Å; F6-I51 HydrophobicContact CG-CB 4.45Å; F6-I51 HydrophobicContact CG-CD1 3.8Å; F6-I51 HydrophobicContact CZ-CD1 4.39Å; S7-I51 CarbonylContact O-C 3.4Å; S7-I51 VanDerWaalsContact O-CA 3.23Å; S7-I51 WeakPolarHBondContact O-CA 3.41Å; V8-I51 HydrophobicContact CG2-CG2 4.09Å; I51-K58 WeakPolarHBondContact O-CA 3.48Å; I51-V59 HydrophobicContact CD1-CB 4.29Å; I51-V59 HydrophobicContact CG1-CB 3.88Å; I51-V59 VanDerWaalsContact CG1-O 3.31Å; I51-V59 WeakPolarHBondContact CG1-O 3.41Å; I51-V59 PolarHBondContact N-O 2.98Å; I51-V59 PolarHBondContact O-N 2.91Å; I51-I61 HydrophobicContact CD1-CD1 3.53Å; I51-I61 HydrophobicContact CD1-CG1 4.08Å; I51-I61 HydrophobicContact CG1-CD1 4.16Å; I51-I61 HydrophobicContact CG1-CG1 4.3Å; I51-I61 HydrophobicContact CG2-CD1 4.31Å |
| 52 | I | 92.6 | Very high | 92.4 | Very high | 12 Ų | 12 | 57.9 Ų | 57.9 | 6% | 0.062 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 116.8 | 169.4 | -57.1 | -177.8 | 0 | 0 | 0 | 107.3 | F6 S7 R9 E56 K58 | F6-I52 WeakPolarHBondContact CA-O 3.3Å; F6-I52 VanDerWaalsContact CB-O 3.29Å; F6-I52 WeakPolarHBondContact CB-O 3.47Å; S7-I52 PolarHBondContact N-O 3.28Å; S7-I52 PolarHBondContact O-N 3.06Å; R9-I52 HydrophobicContact CG-CD1 3.69Å; R9-I52 HydrophobicContact CG-CG1 3.95Å; R9-I52 VanDerWaalsContact NE-CD1 3.27Å; I52-E56 WeakPolarHBondContact CG2-OE2 3.4Å; I52-K58 HydrophobicContact CG1-CG 4.26Å |
| 53 | T | 90.7 | Very high | 92.7 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | trans | -66.8 | 164.2 | 176.7 | 62.6 | 0 | 0 | 0 | 0 | 111.1 | M1 F2 S55 E56 I57 V59 | M1-T53 HydrophobicContact CE-CG2 4.48Å; M1-T53 HydrophobicContact CG-CG2 4.25Å; F2-T53 HydrophobicContact CD1-CG2 4.06Å; F2-T53 HydrophobicContact CE1-CG2 3.85Å; T53-S55 PolarHBondContact O-N 3.25Å; T53-E56 PolarHBondContact O-N 3.45Å; T53-I57 PolarHBondContact N-O 3.4Å; T53-I57 WeakPolarHBondContact OG1-CB 3.33Å; T53-I57 PolarHBondContact OG1-N 3.21Å; T53-I57 VanDerWaalsContact OG1-N 3.09Å; T53-I57 PolarHBondContact OG1-O 3.36Å; T53-I57 VanDerWaalsContact OG1-O 3.14Å; T53-V59 HydrophobicContact CG2-CG2 4.13Å | ||
| 54 | S | 88.4 | Confident | 92.9 | Very high | 58 Ų | 58 | 50.7 Ų | 50.7 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -15.7 | 175.5 | 63.7 | 0 | 0 | 0 | 0 | 114.5 | K4 | K4-S54 WeakPolarHBondContact CB-OG 3.22Š|
| 55 | S | 88.2 | Confident | 93.1 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 62% | 0.615 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 20 | 177.1 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | T53 I57 | T53-S55 PolarHBondContact O-N 3.25Å; S55-I57 PolarHBondContact O-N 3Å; S55-I57 VanDerWaalsContact O-N 3.12Å |
| 56 | E | 88.4 | Confident | 92.8 | Very high | 147 Ų | 147 | 46.3 Ų | 46.3 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 61.3 | 17.4 | 179.6 | -62.2 | -63.5 | 156.9 | 0 | 0 | 115.1 | I52 T53 | I52-E56 WeakPolarHBondContact CG2-OE2 3.4Å; T53-E56 PolarHBondContact O-N 3.45Å |
| 57 | I | 91 | Very high | 92.6 | Very high | 61 Ų | 61 | 49.3 Ų | 49.3 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | trans | -81.6 | 124.3 | 173.9 | -50.1 | 173.5 | 0 | 0 | 0 | 108.9 | M1 T53 S55 V59 | M1-I57 HydrophobicContact CE-CB 4.07Å; M1-I57 HydrophobicContact CE-CD1 4.03Å; M1-I57 HydrophobicContact CE-CG2 3.57Å; T53-I57 PolarHBondContact N-O 3.4Å; T53-I57 WeakPolarHBondContact OG1-CB 3.33Å; T53-I57 PolarHBondContact OG1-N 3.21Å; T53-I57 VanDerWaalsContact OG1-N 3.09Å; T53-I57 PolarHBondContact OG1-O 3.36Å; T53-I57 VanDerWaalsContact OG1-O 3.14Å; S55-I57 PolarHBondContact O-N 3Å; S55-I57 VanDerWaalsContact O-N 3.12Å; I57-V59 HydrophobicContact CG2-CG2 4.04Å | ||
| 58 | K | 92.9 | Very high | 92.6 | Very high | 160 Ų | 160 | 47 Ų | 47 | 70% | 0.696 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127 | 174.8 | -60.7 | 177 | -175.4 | 172.6 | 0 | 109.9 | I51 I52 | I51-K58 WeakPolarHBondContact O-CA 3.48Å; I52-K58 HydrophobicContact CG1-CG 4.26Å |
| 59 | V | 95.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 143.8 | -176.2 | -173 | 0 | 0 | 0 | 0 | 109.1 | M1 F2 I51 T53 I57 I71 E72 N73 | M1-V59 HydrophobicContact CE-CG2 3.44Å; M1-V59 VanDerWaalsContact CE-CG2 3.44Å; F2-V59 HydrophobicContact CE1-CG1 4.41Å; F2-V59 HydrophobicContact CE1-CG2 4.43Å; F2-V59 HydrophobicContact CZ-CG1 4.23Å; I51-V59 HydrophobicContact CD1-CB 4.29Å; I51-V59 HydrophobicContact CG1-CB 3.88Å; I51-V59 VanDerWaalsContact CG1-O 3.31Å; I51-V59 WeakPolarHBondContact CG1-O 3.41Å; I51-V59 PolarHBondContact N-O 2.98Å; I51-V59 PolarHBondContact O-N 2.91Å; T53-V59 HydrophobicContact CG2-CG2 4.13Å; I57-V59 HydrophobicContact CG2-CG2 4.04Å; V59-I71 HydrophobicContact CG1-CG2 3.23Å; V59-E72 VanDerWaalsContact CG1-O 3.28Å; V59-E72 WeakPolarHBondContact CG1-O 3.3Å; V59-N73 HydrophobicContact CG1-CB 4.49Å |
| 60 | N | 95.7 | Very high | 92.6 | Very high | 36 Ų | 36 | 44.7 Ų | 44.7 | 19% | 0.193 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.8 | 169.9 | -56.8 | -41 | 0 | 0 | 0 | 109.3 | R48 K50 Y62 I71 E72 | R48-N60 HydrophobicContact CG-CB 4.23Å; K50-N60 WeakPolarHBondContact CG-OD1 3.5Å; N60-Y62 HydrophobicContact CB-CE2 3.91Å; N60-I71 CarbonylContact O-C 3.55Å; N60-I71 WeakPolarHBondContact O-CA 3.47Å; N60-E72 HydrophobicContact CB-CB 4.22Å; N60-E72 PolarHBondContact N-O 2.92Å; N60-E72 PolarHBondContact ND2-OE2 3.29Å; N60-E72 PolarHBondContact O-N 3.37Å |
| 61 | I | 95.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 122.7 | 171 | -58.6 | 176.9 | 0 | 0 | 0 | 107.9 | F6 S49 I51 K63 P68 I71 V178 L181 | F6-I61 HydrophobicContact CZ-CD1 4.4Å; S49-I61 PolarHBondContact N-O 3.03Å; S49-I61 PolarHBondContact O-N 3.34Å; I51-I61 HydrophobicContact CD1-CD1 3.53Å; I51-I61 HydrophobicContact CD1-CG1 4.08Å; I51-I61 HydrophobicContact CG1-CD1 4.16Å; I51-I61 HydrophobicContact CG1-CG1 4.3Å; I51-I61 HydrophobicContact CG2-CD1 4.31Å; I61-K63 HydrophobicContact CG2-CG 4.5Å; I61-P68 HydrophobicContact CG2-CB 3.64Å; I61-I71 HydrophobicContact CG1-CG1 4.39Å; I61-V178 HydrophobicContact CD1-CG1 4.19Å; I61-V178 HydrophobicContact CD1-CG2 3.73Å; I61-L181 HydrophobicContact CD1-CD1 4.34Å |
| 62 | Y | 96.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 115.5 | 176.9 | -63.3 | -83 | 0 | 0 | 0 | 110.2 | I14 L22 H47 R48 N60 L69 I70 E72 | I14-Y62 HydrophobicContact CD1-CD1 4.21Å; I14-Y62 HydrophobicContact CD1-CE1 4.35Å; I14-Y62 HydrophobicContact CG2-CE1 4.38Å; L22-Y62 HydrophobicContact CD1-CD2 3.81Å; L22-Y62 HydrophobicContact CD1-CE1 4.42Å; L22-Y62 HydrophobicContact CD1-CE2 3.61Å; L22-Y62 HydrophobicContact CD1-CG 4.31Å; L22-Y62 HydrophobicContact CD2-CD1 3.48Å; L22-Y62 VanDerWaalsContact CD2-CD1 3.48Å; L22-Y62 HydrophobicContact CD2-CD2 3.87Å; L22-Y62 HydrophobicContact CD2-CE1 3.85Å; L22-Y62 HydrophobicContact CD2-CE2 4.21Å; L22-Y62 HydrophobicContact CD2-CG 3.48Å; L22-Y62 VanDerWaalsContact CD2-CG 3.48Å; H47-Y62 WeakPolarHBondContact O-CA 3.34Å; R48-Y62 HydrophobicContact CB-CD1 3.95Å; R48-Y62 HydrophobicContact CB-CE1 3.76Å; R48-Y62 HydrophobicContact CG-CD1 4.25Å; R48-Y62 HydrophobicContact CG-CE1 3.73Å; N60-Y62 HydrophobicContact CB-CE2 3.91Å; Y62-L69 PolarHBondContact O-N 3.03Å; Y62-I70 HydrophobicContact CD2-CB 4.48Å; Y62-I70 HydrophobicContact CD2-CG2 4.37Å; Y62-I70 PolarHBondContact N-O 3.21Å; Y62-I70 PolarHBondContact O-N 2.75Å; Y62-E72 HydrophobicContact CD2-CB 4.42Å; Y62-E72 HydrophobicContact CE2-CB 3.73Å; Y62-E72 VanDerWaalsContact CE2-OE2 3.25Å; Y62-E72 WeakPolarHBondContact CE2-OE2 3.47Å; Y62-E72 PolarHBondContact OH-OE2 2.9Å |
| 63 | K | 94.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 42.9 Ų | 42.9 | 14% | 0.139 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.2 | 175.9 | -58.3 | -177.9 | -176.2 | -176.6 | 0 | 109.6 | V46 H47 I61 I67 P68 | V46-K63 CarbonylContact C-O 3.53Å; V46-K63 VanDerWaalsContact CA-O 3.25Å; V46-K63 WeakPolarHBondContact CA-O 3.43Å; V46-K63 WeakPolarHBondContact CG1-O 3.43Å; H47-K63 HydrophobicContact CB-CB 4.4Å; H47-K63 PolarHBondContact N-O 3.47Å; H47-K63 PolarHBondContact O-N 3.24Å; I61-K63 HydrophobicContact CG2-CG 4.5Å; K63-I67 CarbonylContact C-O 3.47Å; K63-I67 VanDerWaalsContact CA-O 3.27Å; K63-I67 WeakPolarHBondContact CA-O 3.25Å; K63-P68 HydrophobicContact CG-CB 4.22Å |
| 64 | F | 93.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 4% | 0.044 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 108.8 | 173.5 | -72.4 | -106.3 | 0 | 0 | 0 | 106.9 | L22 L23 F41 T43 V46 N66 I67 L69 I70 | L22-F64 HydrophobicContact CD2-CZ 4.25Å; L23-F64 HydrophobicContact CD2-CE1 4.2Å; L23-F64 HydrophobicContact CD2-CZ 3.91Å; F41-F64 HydrophobicContact CB-CD1 4.46Å; F41-F64 HydrophobicContact CB-CE1 4.11Å; F41-F64 AromaticContact CD1-CD1 3.95Å; F41-F64 HydrophobicContact CD1-CD1 3.95Å; F41-F64 AromaticContact CD1-CE1 3.58Å; F41-F64 HydrophobicContact CD1-CE1 3.58Å; F41-F64 HydrophobicContact CD1-CE2 4.22Å; F41-F64 HydrophobicContact CD1-CG 4.42Å; F41-F64 AromaticContact CD1-CZ 3.73Å; F41-F64 HydrophobicContact CD1-CZ 3.73Å; F41-F64 HydrophobicContact CE1-CE2 4.41Å; F41-F64 HydrophobicContact CE1-CZ 4.25Å; F41-F64 HydrophobicContact CG-CE1 4.3Å; T43-F64 HydrophobicContact CG2-CB 3.71Å; T43-F64 HydrophobicContact CG2-CD1 4.02Å; T43-F64 HydrophobicContact CG2-CG 4.36Å; V46-F64 HydrophobicContact CG1-CD1 4.32Å; V46-F64 HydrophobicContact CG1-CD2 4.29Å; V46-F64 HydrophobicContact CG1-CE1 4.16Å; V46-F64 HydrophobicContact CG1-CE2 4.14Å; V46-F64 HydrophobicContact CG1-CG 4.39Å; V46-F64 HydrophobicContact CG1-CZ 4.07Å; V46-F64 HydrophobicContact CG2-CD1 3.59Å; V46-F64 HydrophobicContact CG2-CE1 3.74Å; V46-F64 HydrophobicContact CG2-CG 4.2Å; V46-F64 HydrophobicContact CG2-CZ 4.47Å; F64-N66 PolarHBondContact O-N 2.93Å; F64-I67 PolarHBondContact N-O 2.89Å; F64-I67 PolarHBondContact O-N 3.02Å; F64-L69 HydrophobicContact CB-CD1 3.7Å; F64-L69 HydrophobicContact CB-CG 4.2Å; F64-L69 HydrophobicContact CD2-CB 3.88Å; F64-L69 HydrophobicContact CD2-CD1 3.84Å; F64-L69 HydrophobicContact CD2-CG 4.05Å; F64-L69 HydrophobicContact CE2-CB 4.35Å; F64-L69 HydrophobicContact CG-CD1 3.81Å; F64-L69 HydrophobicContact CG-CG 4.4Å; F64-I70 HydrophobicContact CE2-CD1 4.19Å; F64-I70 HydrophobicContact CZ-CD1 4.39Å |
| 65 | G | 89.6 | Confident | 92.2 | Very high | 18 Ų | 18 | 55 Ų | 55 | 19% | 0.186 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -121.9 | -157.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | D45 | D45-G65 PolarHBondContact O-N 2.83Š|
| 66 | N | 86.9 | Confident | 92.4 | Very high | 135 Ų | 135 | 53.1 Ų | 53.1 | 72% | 0.722 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -2.6 | 177.8 | -79.2 | -19.1 | 0 | 0 | 0 | 114.6 | F64 V182 | F64-N66 PolarHBondContact O-N 2.93Å; N66-V182 VanDerWaalsContact O-CG2 3.3Å; N66-V182 WeakPolarHBondContact O-CG2 3.31Å |
| 67 | I | 91.3 | Very high | 92.7 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 33% | 0.333 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121.6 | -171.9 | -53.9 | 176.6 | 0 | 0 | 0 | 109.7 | K63 F64 L69 Y82 | K63-I67 CarbonylContact C-O 3.47Å; K63-I67 VanDerWaalsContact CA-O 3.27Å; K63-I67 WeakPolarHBondContact CA-O 3.25Å; F64-I67 PolarHBondContact N-O 2.89Å; F64-I67 PolarHBondContact O-N 3.02Å; I67-L69 HydrophobicContact CB-CD2 4.44Å; I67-L69 HydrophobicContact CG2-CD2 3.72Å; I67-L69 HydrophobicContact CG2-CG 4.47Å; I67-L69 PolarHBondContact O-N 2.82Å; I67-Y82 HydrophobicContact CG2-CD1 4.04Å; I67-Y82 HydrophobicContact CG2-CD2 4.29Å; I67-Y82 HydrophobicContact CG2-CG 3.78Å |
| 68 | P | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 121.1 | 171.4 | 30.2 | -30.3 | 0 | 0 | 0 | 108.2 | I61 K63 T80 Y82 V178 V182 | I61-P68 HydrophobicContact CG2-CB 3.64Å; K63-P68 HydrophobicContact CG-CB 4.22Å; P68-T80 HydrophobicContact CB-CG2 4.34Å; P68-T80 PolarHBondContact O-OG1 3.11Å; P68-Y82 HydrophobicContact CG-CD2 3.85Å; P68-Y82 HydrophobicContact CG-CE2 3.77Å; P68-Y82 WeakPolarHBondContact O-CD2 3.38Å; P68-V178 HydrophobicContact CB-CG1 4.29Å; P68-V178 HydrophobicContact CG-CG1 4.18Å; P68-V182 HydrophobicContact CG-CG2 4.06Å |
| 69 | L | 95 | Very high | 93.1 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -41 | 179.8 | -64.7 | -175.1 | 0 | 0 | 0 | 112 | I40 F41 Y62 F64 I67 T80 L83 | I40-L69 HydrophobicContact CG2-CD1 4Å; F41-L69 HydrophobicContact CD1-CD1 4.12Å; F41-L69 HydrophobicContact CE1-CB 4.46Å; F41-L69 HydrophobicContact CE1-CD1 3.93Å; Y62-L69 PolarHBondContact O-N 3.03Å; F64-L69 HydrophobicContact CB-CD1 3.7Å; F64-L69 HydrophobicContact CB-CG 4.2Å; F64-L69 HydrophobicContact CD2-CB 3.88Å; F64-L69 HydrophobicContact CD2-CD1 3.84Å; F64-L69 HydrophobicContact CD2-CG 4.05Å; F64-L69 HydrophobicContact CE2-CB 4.35Å; F64-L69 HydrophobicContact CG-CD1 3.81Å; F64-L69 HydrophobicContact CG-CG 4.4Å; I67-L69 HydrophobicContact CB-CD2 4.44Å; I67-L69 HydrophobicContact CG2-CD2 3.72Å; I67-L69 HydrophobicContact CG2-CG 4.47Å; I67-L69 PolarHBondContact O-N 2.82Å; L69-T80 WeakPolarHBondContact CA-OG1 3.34Å; L69-T80 WeakPolarHBondContact O-CG2 3.35Å; L69-T80 PolarHBondContact O-N 2.63Å; L69-T80 PolarHBondContact O-OG1 3.32Å; L69-L83 HydrophobicContact CB-CB 4.31Å; L69-L83 HydrophobicContact CB-CD2 4.46Å; L69-L83 HydrophobicContact CD2-CB 4.18Å; L69-L83 WeakPolarHBondContact O-CB 3.33Å |
| 70 | I | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.9 | -173.2 | -57.3 | 171.4 | 0 | 0 | 0 | 109.7 | L22 L23 F26 F41 Y62 F64 H77 L83 | L22-I70 HydrophobicContact CD1-CG2 4.45Å; L23-I70 HydrophobicContact CD2-CD1 4.37Å; F26-I70 HydrophobicContact CB-CD1 4.31Å; F26-I70 HydrophobicContact CD1-CD1 4.45Å; F26-I70 HydrophobicContact CD2-CD1 3.84Å; F26-I70 HydrophobicContact CD2-CG1 4.11Å; F26-I70 HydrophobicContact CD2-CG2 4.24Å; F26-I70 HydrophobicContact CE2-CD1 4.29Å; F26-I70 HydrophobicContact CE2-CG1 4.13Å; F26-I70 HydrophobicContact CG-CD1 3.94Å; F41-I70 HydrophobicContact CE1-CD1 4.03Å; F41-I70 HydrophobicContact CE1-CG1 4.49Å; F41-I70 HydrophobicContact CZ-CD1 4.46Å; Y62-I70 HydrophobicContact CD2-CB 4.48Å; Y62-I70 HydrophobicContact CD2-CG2 4.37Å; Y62-I70 PolarHBondContact N-O 3.21Å; Y62-I70 PolarHBondContact O-N 2.75Å; F64-I70 HydrophobicContact CE2-CD1 4.19Å; F64-I70 HydrophobicContact CZ-CD1 4.39Å; I70-H77 HydrophobicContact CG2-CB 3.94Å; I70-L83 HydrophobicContact CG1-CD2 4.13Å |
| 71 | I | 96.2 | Very high | 93.1 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.2 | 172.2 | -59.8 | 176.4 | 0 | 0 | 0 | 107.4 | F2 V59 N60 I61 H77 L78 T80 V178 | F2-I71 HydrophobicContact CD2-CD1 4.48Å; F2-I71 HydrophobicContact CE2-CD1 3.72Å; F2-I71 HydrophobicContact CE2-CG2 4.43Å; F2-I71 HydrophobicContact CZ-CD1 4.07Å; F2-I71 HydrophobicContact CZ-CG2 3.88Å; V59-I71 HydrophobicContact CG1-CG2 3.23Å; N60-I71 CarbonylContact O-C 3.55Å; N60-I71 WeakPolarHBondContact O-CA 3.47Å; I61-I71 HydrophobicContact CG1-CG1 4.39Å; I71-H77 CarbonylContact O-C 3.53Å; I71-L78 HydrophobicContact CB-CB 4.21Å; I71-L78 PolarHBondContact N-O 3.09Å; I71-L78 PolarHBondContact O-N 3.29Å; I71-T80 HydrophobicContact CD1-CG2 3.88Å; I71-T80 HydrophobicContact CG1-CG2 3.73Å; I71-V178 HydrophobicContact CD1-CG1 4.35Å |
| 72 | E | 95.3 | Very high | 93 | Very high | 32 Ų | 32 | 35.7 Ų | 35.7 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.7 | 178.2 | 177.4 | -160.5 | -176.1 | 0 | 0 | 110.1 | V59 N60 Y62 E76 | V59-E72 VanDerWaalsContact CG1-O 3.28Å; V59-E72 WeakPolarHBondContact CG1-O 3.3Å; N60-E72 HydrophobicContact CB-CB 4.22Å; N60-E72 PolarHBondContact N-O 2.92Å; N60-E72 PolarHBondContact ND2-OE2 3.29Å; N60-E72 PolarHBondContact O-N 3.37Å; Y62-E72 HydrophobicContact CD2-CB 4.42Å; Y62-E72 HydrophobicContact CE2-CB 3.73Å; Y62-E72 VanDerWaalsContact CE2-OE2 3.25Å; Y62-E72 WeakPolarHBondContact CE2-OE2 3.47Å; Y62-E72 PolarHBondContact OH-OE2 2.9Å; E72-E76 WeakPolarHBondContact CA-O 3.25Å |
| 73 | N | 91.7 | Very high | 92.9 | Very high | 32 Ų | 32 | 35 Ų | 35 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 115.6 | 177.4 | 178 | 28.1 | 0 | 0 | 0 | 109.9 | V59 N75 E76 | V59-N73 HydrophobicContact CG1-CB 4.49Å; N73-N75 PolarHBondContact O-N 2.9Å; N73-E76 PolarHBondContact N-O 3.46Å; N73-E76 PolarHBondContact O-N 2.83Å |
| 74 | K | 83.4 | Confident | 93 | Very high | 186 Ų | 186 | 33.5 Ų | 33.5 | 81% | 0.809 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 44.7 | 179.5 | -60.3 | -179.3 | -178.8 | -177.2 | 0 | 113.2 | E76 | K74-E76 VanDerWaalsContact C-N 3.32Å; K74-E76 PolarHBondContact O-N 3.42Å |
| 75 | N | 83.5 | Confident | 92.9 | Very high | 133 Ų | 133 | 34.4 Ų | 34.4 | 71% | 0.711 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | -1.7 | -179.4 | -47 | -21.7 | 0 | 0 | 0 | 116.6 | N73 | N73-N75 PolarHBondContact O-N 2.9Š|
| 76 | E | 93.6 | Very high | 93 | Very high | 47 Ų | 47 | 38.2 Ų | 38.2 | 22% | 0.22 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 131.5 | 168.6 | -176.7 | -177.5 | -156 | 0 | 0 | 109.9 | E72 N73 K74 L78 R150 | E72-E76 WeakPolarHBondContact CA-O 3.25Å; N73-E76 PolarHBondContact N-O 3.46Å; N73-E76 PolarHBondContact O-N 2.83Å; K74-E76 VanDerWaalsContact C-N 3.32Å; K74-E76 PolarHBondContact O-N 3.42Å; E76-L78 HydrophobicContact CG-CD2 4.43Å; E76-R150 IonicContact OE1-CZ 2.69Å; E76-R150 IonicContact OE1-NE 3.64Å; E76-R150 IonicContact OE1-NH2 3.9Å; E76-R150 PolarHBondContact OE1-NH2 2.71Å; E76-R150 IonicContact OE2-CZ 2.9Å; E76-R150 IonicContact OE2-NE 3.1Å; E76-R150 IonicContact OE2-NH2 3.82Å; E76-R150 PolarHBondContact OE2-NH2 3.08Å |
| 77 | H | 95.5 | Very high | 93.2 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 6% | 0.06 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 118.3 | 173.5 | -52.4 | 86.8 | 0 | 0 | 0 | 110 | S25 F26 Q29 Y30 I70 I71 | S25-H77 VanDerWaalsContact CB-CE1 3.46Å; S25-H77 WeakPolarHBondContact CB-CE1 3.31Å; F26-H77 HydrophobicContact CD2-CB 3.7Å; F26-H77 HydrophobicContact CE2-CB 4.41Å; Q29-H77 PolarHBondContact NE2-O 3.5Å; Q29-H77 PolarHBondContact OE1-ND1 2.91Å; Y30-H77 PolarHBondContact OH-O 3.24Å; I70-H77 HydrophobicContact CG2-CB 3.94Å; I71-H77 CarbonylContact O-C 3.53Å |
| 78 | L | 95.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.1 | 175.5 | -62.6 | 166.3 | 0 | 0 | 0 | 108.5 | I71 E76 L134 L171 | I71-L78 HydrophobicContact CB-CB 4.21Å; I71-L78 PolarHBondContact N-O 3.09Å; I71-L78 PolarHBondContact O-N 3.29Å; E76-L78 HydrophobicContact CG-CD2 4.43Å; L78-L134 HydrophobicContact CD2-CD1 3.36Å; L78-L134 HydrophobicContact CD2-CD2 3.7Å; L78-L134 HydrophobicContact CD2-CG 4.19Å; L78-L171 HydrophobicContact CD1-CD1 4.42Å; L78-L171 HydrophobicContact CD2-CD1 4.23Å |
| 79 | P | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 151 | 167.8 | 28.7 | -35.8 | 0 | 0 | 0 | 109.3 | Y30 L83 L84 L90 L91 L134 I148 | Y30-P79 WeakPolarHBondContact OH-CD 3.41Å; P79-L83 HydrophobicContact CB-CB 4.25Å; P79-L83 HydrophobicContact CB-CD2 3.89Å; P79-L83 HydrophobicContact CB-CG 4.27Å; P79-L84 HydrophobicContact CB-CD2 4.05Å; P79-L84 HydrophobicContact CB-CG 4.15Å; P79-L84 HydrophobicContact CG-CD2 3.95Å; P79-L84 HydrophobicContact CG-CG 4.24Å; P79-L90 HydrophobicContact CB-CD2 3.91Å; P79-L90 HydrophobicContact CG-CD2 3.96Å; P79-L91 HydrophobicContact CG-CD1 3.84Å; P79-L91 HydrophobicContact CG-CG 4.41Å; P79-L134 HydrophobicContact CG-CD2 4.48Å; P79-I148 HydrophobicContact CG-CD1 4.43Å; P79-I148 WeakPolarHBondContact O-CD1 3.43Å |
| 80 | T | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -87 | 167.9 | 167 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | P68 L69 I71 Y82 L83 L84 I148 | P68-T80 HydrophobicContact CB-CG2 4.34Å; P68-T80 PolarHBondContact O-OG1 3.11Å; L69-T80 WeakPolarHBondContact CA-OG1 3.34Å; L69-T80 WeakPolarHBondContact O-CG2 3.35Å; L69-T80 PolarHBondContact O-N 2.63Å; L69-T80 PolarHBondContact O-OG1 3.32Å; I71-T80 HydrophobicContact CD1-CG2 3.88Å; I71-T80 HydrophobicContact CG1-CG2 3.73Å; T80-Y82 PolarHBondContact O-N 3.46Å; T80-L83 PolarHBondContact O-N 3.36Å; T80-L83 VanDerWaalsContact O-N 3.15Å; T80-L83 PolarHBondContact OG1-N 3.34Å; T80-L84 PolarHBondContact O-N 3.25Å; T80-L84 VanDerWaalsContact O-N 3.09Å; T80-I148 VanDerWaalsContact C-CD1 3.48Å |
| 81 | V | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -34.3 | 171.7 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | L83 L84 W85 I148 H172 F185 | V81-L83 PolarHBondContact O-N 2.82Å; V81-L84 PolarHBondContact O-N 3.01Å; V81-W85 HydrophobicContact CB-CZ2 4.27Å; V81-W85 HydrophobicContact CG2-CZ2 4.16Å; V81-W85 PolarHBondContact O-N 3.41Å; V81-W85 PolarHBondContact O-NE1 2.82Å; V81-I148 HydrophobicContact CG1-CD1 4.35Å; V81-I148 HydrophobicContact CG1-CG1 4.26Å; V81-H172 PolarHBondContact N-CD2 3.4Å; V81-H172 PolarHBondContact N-NE2 3.42Å; V81-F185 HydrophobicContact CG2-CE2 4.12Å; V81-F185 HydrophobicContact CG2-CZ 4.06Å |
| 82 | Y | 93.7 | Very high | 92.7 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 7% | 0.071 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 176 | -62.6 | -76.2 | 0 | 0 | 0 | 112.8 | I67 P68 T80 W85 C179 V182 F185 | I67-Y82 HydrophobicContact CG2-CD1 4.04Å; I67-Y82 HydrophobicContact CG2-CD2 4.29Å; I67-Y82 HydrophobicContact CG2-CG 3.78Å; P68-Y82 HydrophobicContact CG-CD2 3.85Å; P68-Y82 HydrophobicContact CG-CE2 3.77Å; P68-Y82 WeakPolarHBondContact O-CD2 3.38Å; T80-Y82 PolarHBondContact O-N 3.46Å; Y82-W85 HydrophobicContact CD1-CE3 4.05Å; Y82-W85 AromaticContact CD1-CZ3 3.85Å; Y82-W85 HydrophobicContact CD1-CZ3 3.85Å; Y82-W85 HydrophobicContact CE1-CZ3 4.03Å; Y82-W85 PolarHBondContact O-N 2.63Å; Y82-C179 PolarHBondContact OH-O 3.16Å; Y82-C179 VanDerWaalsContact OH-O 3.04Å; Y82-V182 HydrophobicContact CE2-CG2 4.37Å; Y82-V182 WeakPolarHBondContact OH-CB 3.42Å; Y82-F185 HydrophobicContact CD1-CE2 4.4Å; Y82-F185 AromaticContact CE1-CD2 3.46Å; Y82-F185 HydrophobicContact CE1-CD2 3.46Å; Y82-F185 VanDerWaalsContact CE1-CD2 3.46Å; Y82-F185 AromaticContact CE1-CE2 3.59Å; Y82-F185 HydrophobicContact CE1-CE2 3.59Å; Y82-F185 HydrophobicContact CE2-CD2 4.42Å; Y82-F185 HydrophobicContact CE2-CE2 4.1Å; Y82-F185 AromaticContact CZ-CD2 3.35Å; Y82-F185 AromaticContact CZ-CE2 3.4Å; Y82-F185 VanDerWaalsContact CZ-CE2 3.4Å; Y82-F185 WeakPolarHBondContact OH-CD2 3.47Å; Y82-F185 WeakPolarHBondContact OH-CE2 3.44Å |
| 83 | L | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.8 | -41 | 178.2 | -177.5 | 55.7 | 0 | 0 | 0 | 111 | F26 I40 F41 L69 I70 P79 T80 V81 W85 Q86 L87 | F26-L83 HydrophobicContact CE1-CD2 4.15Å; F26-L83 HydrophobicContact CE2-CD2 4.1Å; F26-L83 HydrophobicContact CZ-CD2 3.51Å; I40-L83 HydrophobicContact CG2-CD1 3.85Å; F41-L83 HydrophobicContact CE1-CD1 4.25Å; F41-L83 HydrophobicContact CZ-CD1 3.81Å; F41-L83 HydrophobicContact CZ-CD2 4.1Å; L69-L83 HydrophobicContact CB-CB 4.31Å; L69-L83 HydrophobicContact CB-CD2 4.46Å; L69-L83 HydrophobicContact CD2-CB 4.18Å; L69-L83 WeakPolarHBondContact O-CB 3.33Å; I70-L83 HydrophobicContact CG1-CD2 4.13Å; P79-L83 HydrophobicContact CB-CB 4.25Å; P79-L83 HydrophobicContact CB-CD2 3.89Å; P79-L83 HydrophobicContact CB-CG 4.27Å; T80-L83 PolarHBondContact O-N 3.36Å; T80-L83 VanDerWaalsContact O-N 3.15Å; T80-L83 PolarHBondContact OG1-N 3.34Å; V81-L83 PolarHBondContact O-N 2.82Å; L83-W85 PolarHBondContact O-N 3.49Å; L83-Q86 CarbonylContact O-C 3.51Å; L83-Q86 PolarHBondContact O-N 3.2Å; L83-L87 HydrophobicContact CD1-CD1 4.03Å; L83-L87 PolarHBondContact O-N 3.36Å |
| 84 | L | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.8 | -20 | 176.2 | -65.7 | -178 | 0 | 0 | 0 | 113.8 | P79 T80 V81 Q86 L87 P88 L90 L91 C136 P145 I148 | P79-L84 HydrophobicContact CB-CD2 4.05Å; P79-L84 HydrophobicContact CB-CG 4.15Å; P79-L84 HydrophobicContact CG-CD2 3.95Å; P79-L84 HydrophobicContact CG-CG 4.24Å; T80-L84 PolarHBondContact O-N 3.25Å; T80-L84 VanDerWaalsContact O-N 3.09Å; V81-L84 PolarHBondContact O-N 3.01Å; L84-Q86 VanDerWaalsContact C-N 3.26Å; L84-L87 CarbonylContact O-C 3.56Å; L84-L87 VanDerWaalsContact O-C 3.31Å; L84-P88 WeakPolarHBondContact O-CA 3.18Å; L84-P88 VanDerWaalsContact O-N 3.08Å; L84-L90 HydrophobicContact CD2-CB 3.83Å; L84-L90 HydrophobicContact CD2-CD2 3.95Å; L84-L90 HydrophobicContact CD2-CG 4.35Å; L84-L91 HydrophobicContact CD1-CD1 3.97Å; L84-L91 HydrophobicContact CD2-CB 4.48Å; L84-L91 HydrophobicContact CD2-CD1 4.05Å; L84-L91 HydrophobicContact CD2-CG 4.01Å; L84-C136 HydrophobicContact CD1-CB 3.7Å; L84-P145 HydrophobicContact CB-CB 4.4Å; L84-P145 HydrophobicContact CB-CG 3.93Å; L84-P145 HydrophobicContact CD1-CB 4.12Å; L84-P145 HydrophobicContact CD1-CG 4.11Å; L84-I148 HydrophobicContact CD1-CD1 3.36Å; L84-I148 HydrophobicContact CD1-CG1 3.53Å; L84-I148 HydrophobicContact CG-CD1 4.09Å |
| 85 | W | 92.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 11% | 0.106 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.7 | -24 | 171 | -62.7 | -13.6 | 0 | 0 | 0 | 112.5 | V81 Y82 L83 P145 F185 N186 R187 P188 | V81-W85 HydrophobicContact CB-CZ2 4.27Å; V81-W85 HydrophobicContact CG2-CZ2 4.16Å; V81-W85 PolarHBondContact O-N 3.41Å; V81-W85 PolarHBondContact O-NE1 2.82Å; Y82-W85 HydrophobicContact CD1-CE3 4.05Å; Y82-W85 AromaticContact CD1-CZ3 3.85Å; Y82-W85 HydrophobicContact CD1-CZ3 3.85Å; Y82-W85 HydrophobicContact CE1-CZ3 4.03Å; Y82-W85 PolarHBondContact O-N 2.63Å; L83-W85 PolarHBondContact O-N 3.49Å; W85-P145 PolarHBondContact NE1-O 2.82Å; W85-F185 AromaticContact CH2-CD2 3.84Å; W85-F185 HydrophobicContact CH2-CD2 3.84Å; W85-F185 AromaticContact CH2-CE2 3.24Å; W85-F185 HydrophobicContact CH2-CE2 3.24Å; W85-F185 AromaticContact CH2-CZ 3.72Å; W85-F185 HydrophobicContact CH2-CZ 3.72Å; W85-F185 HydrophobicContact CZ2-CE2 4.02Å; W85-F185 HydrophobicContact CZ2-CZ 4.13Å; W85-F185 HydrophobicContact CZ3-CD2 4.24Å; W85-F185 AromaticContact CZ3-CE2 3.9Å; W85-F185 HydrophobicContact CZ3-CE2 3.9Å; W85-N186 WeakPolarHBondContact CZ3-O 3.37Å; W85-R187 HydrophobicContact CH2-CB 4.08Å; W85-R187 HydrophobicContact CZ2-CB 3.9Å; W85-R187 HydrophobicContact CZ2-CG 3.93Å; W85-P188 HydrophobicContact CB-CG 3.75Å; W85-P188 HydrophobicContact CD2-CG 3.79Å; W85-P188 HydrophobicContact CE3-CG 3.92Å; W85-P188 HydrophobicContact CG-CG 3.71Å |
| 86 | Q | 91.5 | Very high | 93.7 | Very high | 98 Ų | 98 | 28.1 Ų | 28.1 | 46% | 0.458 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -92.8 | -30 | 174.3 | -62.6 | 179.9 | -14.2 | 0 | 0 | 111.9 | I40 L83 L84 | I40-Q86 HydrophobicContact CD1-CB 3.97Å; I40-Q86 HydrophobicContact CG1-CB 4.35Å; L83-Q86 CarbonylContact O-C 3.51Å; L83-Q86 PolarHBondContact O-N 3.2Å; L84-Q86 VanDerWaalsContact C-N 3.26Å |
| 87 | L | 91.7 | Very high | 93.6 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 16% | 0.157 | 15% | 0.154 | C | C | . | . | trans | -126.6 | 71.3 | 177.8 | -63.1 | 173.7 | 0 | 0 | 0 | 110.6 | V37 I40 L83 L84 D89 L90 | V37-L87 HydrophobicContact CB-CD1 4.48Å; V37-L87 HydrophobicContact CG1-CD1 3.93Å; V37-L87 HydrophobicContact CG1-CD2 3.77Å; I40-L87 HydrophobicContact CD1-CD1 3.79Å; I40-L87 HydrophobicContact CD1-CD2 3.63Å; I40-L87 HydrophobicContact CD1-CG 3.52Å; L83-L87 HydrophobicContact CD1-CD1 4.03Å; L83-L87 PolarHBondContact O-N 3.36Å; L84-L87 CarbonylContact O-C 3.56Å; L84-L87 VanDerWaalsContact O-C 3.31Å; L87-D89 PolarHBondContact O-N 3.11Å; L87-L90 HydrophobicContact CB-CB 4.22Å; L87-L90 VanDerWaalsContact O-CB 3.3Å; L87-L90 WeakPolarHBondContact O-CB 3.23Å; L87-L90 PolarHBondContact O-N 3.34Å | ||
| 88 | P | 89.9 | Confident | 93.4 | Very high | 22 Ų | 22 | 35 Ų | 35 | 14% | 0.143 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -65 | -29 | -176.3 | 25.8 | -33.9 | 0 | 0 | 0 | 112.6 | L84 L90 H93 L190 | L84-P88 WeakPolarHBondContact O-CA 3.18Å; L84-P88 VanDerWaalsContact O-N 3.08Å; P88-L90 PolarHBondContact O-N 3.37Å; P88-H93 PolarHBondContact O-NE2 2.8Å; P88-L190 HydrophobicContact CB-CD1 4.23Å; P88-L190 HydrophobicContact CG-CD1 4.38Å |
| 89 | D | 90.1 | Very high | 93.1 | Very high | 124 Ų | 124 | 40.4 Ų | 40.4 | 66% | 0.663 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -77.6 | -2.8 | 179.8 | -66.8 | -76.2 | 0 | 0 | 0 | 114.2 | L87 L91 R143 | L87-D89 PolarHBondContact O-N 3.11Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 2.85Å; D89-R143 IonicContact OD1-CZ 3.26Å; D89-R143 IonicContact OD1-NH1 3.5Å; D89-R143 PolarHBondContact OD1-NH1 3.17Å; D89-R143 IonicContact OD1-NH2 3.04Å; D89-R143 PolarHBondContact OD1-NH2 3.32Å; D89-R143 IonicContact OD2-CZ 3.87Å; D89-R143 IonicContact OD2-NH1 2.67Å; D89-R143 PolarHBondContact OD2-NH1 3.43Å; D89-R143 IonicContact OD2-NH2 3.58Å; D89-R143 PolarHBondContact OD2-NH2 3.43Å |
| 90 | L | 93.5 | Very high | 92.9 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -64.4 | -32.4 | -176.8 | -173.4 | 65.6 | 0 | 0 | 0 | 113.2 | F26 Y30 L32 P79 L84 L87 P88 | F26-L90 HydrophobicContact CZ-CD2 3.9Å; Y30-L90 HydrophobicContact CD1-CD1 3.8Å; Y30-L90 HydrophobicContact CD1-CG 4.05Å; Y30-L90 HydrophobicContact CD2-CD1 4.42Å; Y30-L90 HydrophobicContact CE1-CG 4.42Å; Y30-L90 HydrophobicContact CG-CD1 3.71Å; Y30-L90 HydrophobicContact CG-CG 4.3Å; L32-L90 HydrophobicContact CD1-CD1 3.76Å; L32-L90 HydrophobicContact CD2-CD1 3.9Å; L32-L90 HydrophobicContact CG-CD1 4.06Å; P79-L90 HydrophobicContact CB-CD2 3.91Å; P79-L90 HydrophobicContact CG-CD2 3.96Å; L84-L90 HydrophobicContact CD2-CB 3.83Å; L84-L90 HydrophobicContact CD2-CD2 3.95Å; L84-L90 HydrophobicContact CD2-CG 4.35Å; L87-L90 HydrophobicContact CB-CB 4.22Å; L87-L90 VanDerWaalsContact O-CB 3.3Å; L87-L90 WeakPolarHBondContact O-CB 3.23Å; L87-L90 PolarHBondContact O-N 3.34Å; P88-L90 PolarHBondContact O-N 3.37Å |
| 91 | L | 94.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.052 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -131.8 | 147.9 | -175.9 | -63 | -176.8 | 0 | 0 | 0 | 111.9 | Y30 P79 L84 D89 H93 L134 C136 I148 | Y30-L91 HydrophobicContact CD1-CD2 4.44Å; Y30-L91 HydrophobicContact CE1-CD2 3.72Å; P79-L91 HydrophobicContact CG-CD1 3.84Å; P79-L91 HydrophobicContact CG-CG 4.41Å; L84-L91 HydrophobicContact CD1-CD1 3.97Å; L84-L91 HydrophobicContact CD2-CB 4.48Å; L84-L91 HydrophobicContact CD2-CD1 4.05Å; L84-L91 HydrophobicContact CD2-CG 4.01Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 2.85Å; L91-H93 PolarHBondContact O-CD2 2.9Å; L91-L134 HydrophobicContact CD1-CD2 3.84Å; L91-L134 HydrophobicContact CD1-CG 4.21Å; L91-L134 HydrophobicContact CD2-CB 4.11Å; L91-L134 HydrophobicContact CD2-CD2 3.97Å; L91-L134 HydrophobicContact CD2-CG 4.38Å; L91-C136 HydrophobicContact CB-CB 4.31Å; L91-C136 HydrophobicContact CD1-CB 4.44Å; L91-I148 HydrophobicContact CD1-CG2 4.11Å |
| 92 | P | 92.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 46 Ų | 46 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -61.7 | 142 | 172.2 | 25.9 | -33.5 | 0 | 0 | 0 | 111.1 | I129 V133 L134 C135 C136 | P92-I129 HydrophobicContact CB-CD1 4.18Å; P92-I129 HydrophobicContact CG-CD1 3.8Å; P92-V133 HydrophobicContact CG-CG1 4.45Å; P92-L134 WeakPolarHBondContact CD-O 3.44Å; P92-L134 WeakPolarHBondContact CG-O 3.3Å; P92-C135 HydrophobicContact CG-CB 3.99Å; P92-C135 WeakPolarHBondContact O-CA 3.45Å; P92-C135 WeakPolarHBondContact O-CB 3.44Å; P92-C136 PolarHBondContact O-N 2.69Å |
| 93 | H | 93.8 | Very high | 92.5 | Very high | 43 Ų | 43 | 48.4 Ų | 48.4 | 20% | 0.199 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 136.4 | -177.6 | -68.5 | -110.4 | 0 | 0 | 0 | 112.7 | P88 L91 C136 S138 R143 W192 | P88-H93 PolarHBondContact O-NE2 2.8Å; L91-H93 PolarHBondContact O-CD2 2.9Å; H93-C136 CarbonylContact C-O 3.59Å; H93-C136 WeakPolarHBondContact CA-O 3.4Å; H93-C136 PolarHBondContact ND1-SG 3.33Å; H93-S138 PolarHBondContact CE1-OG 2.94Å; H93-S138 PolarHBondContact ND1-OG 2.95Å; H93-R143 PolarHBondContact CE1-O 2.99Å; H93-R143 VanDerWaalsContact CE1-O 3.3Å; H93-W192 HydrophobicContact CB-CH2 3.58Å; H93-W192 HydrophobicContact CB-CZ3 4.16Å; H93-W192 AromaticContact CG-CH2 3.58Å; H93-W192 AromaticContact ND1-CH2 3.5Å |
| 94 | F | 94.2 | Very high | 92.4 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.4 | 158.7 | -76.8 | -98.3 | 0 | 0 | 0 | 109.4 | L110 V115 F126 I129 C135 C136 I137 S138 T151 M158 V168 | F94-L110 HydrophobicContact CB-CD2 3.89Å; F94-L110 HydrophobicContact CG-CD2 4.45Å; F94-V115 HydrophobicContact CD1-CG1 3.84Å; F94-V115 HydrophobicContact CD1-CG2 3.97Å; F94-F126 HydrophobicContact CD1-CD1 4.38Å; F94-F126 HydrophobicContact CD1-CE1 4.17Å; F94-F126 AromaticContact CE1-CD1 3.69Å; F94-F126 HydrophobicContact CE1-CD1 3.69Å; F94-F126 AromaticContact CE1-CE1 3.73Å; F94-F126 HydrophobicContact CE1-CE1 3.73Å; F94-F126 HydrophobicContact CE1-CG 4.35Å; F94-F126 HydrophobicContact CE1-CZ 4.41Å; F94-F126 HydrophobicContact CZ-CD1 4.21Å; F94-I129 HydrophobicContact CE2-CD1 4.19Å; F94-C135 HydrophobicContact CD2-CB 4.03Å; F94-C135 HydrophobicContact CE2-CB 4.02Å; F94-C136 PolarHBondContact N-O 3.38Å; F94-I137 WeakPolarHBondContact O-CA 3.27Å; F94-S138 PolarHBondContact O-N 3.34Å; F94-T151 HydrophobicContact CE2-CG2 3.91Å; F94-T151 HydrophobicContact CZ-CG2 4.08Å; F94-M158 HydrophobicContact CE1-CE 4.05Å; F94-M158 HydrophobicContact CE1-SD 4.02Å; F94-M158 HydrophobicContact CZ-CE 3.87Å; F94-M158 HydrophobicContact CZ-SD 4.25Å; F94-V168 HydrophobicContact CD1-CG2 4.42Å; F94-V168 HydrophobicContact CD2-CG2 3.84Å; F94-V168 HydrophobicContact CE2-CG2 4.02Å; F94-V168 HydrophobicContact CG-CG2 4.06Å; F94-V168 HydrophobicContact CZ-CG2 4.39Å |
| 95 | K | 93.8 | Very high | 92.2 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 137.4 | 178.7 | -61.9 | 177.6 | -172.4 | 169.3 | 0 | 110 | V115 V116 S138 T140 W192 | K95-V115 WeakPolarHBondContact O-CA 3.47Å; K95-V116 HydrophobicContact CB-CB 4.32Å; K95-V116 PolarHBondContact O-N 2.88Å; K95-S138 CarbonylContact C-O 3.53Å; K95-S138 WeakPolarHBondContact CA-O 3.3Å; K95-T140 HydrophobicContact CB-CG2 4.13Å; K95-W192 HydrophobicContact CD-CH2 4.47Å; K95-W192 HydrophobicContact CD-CZ2 4.27Å; K95-W192 HydrophobicContact CG-CH2 3.92Å; K95-W192 HydrophobicContact CG-CZ2 3.73Å |
| 96 | V | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 164.3 | 174.3 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | L100 L104 L110 G114 I137 S138 T139 T140 I146 | V96-L100 HydrophobicContact CB-CD2 4.1Å; V96-L100 HydrophobicContact CG1-CD2 4.05Å; V96-L104 HydrophobicContact CG2-CD1 4.25Å; V96-L110 HydrophobicContact CG1-CD1 3.59Å; V96-L110 HydrophobicContact CG1-CD2 3.92Å; V96-L110 HydrophobicContact CG1-CG 4.43Å; V96-G114 WeakPolarHBondContact CG1-O 3.23Å; V96-I137 HydrophobicContact CB-CG2 4.46Å; V96-I137 HydrophobicContact CG1-CG2 3.67Å; V96-I137 HydrophobicContact CG2-CG2 3.89Å; V96-S138 PolarHBondContact N-O 3.25Å; V96-T139 HydrophobicContact CG2-CG2 4.29Å; V96-T139 CarbonylContact O-C 3.49Å; V96-T139 WeakPolarHBondContact O-CA 3.45Å; V96-T140 PolarHBondContact O-N 3.28Å; V96-T140 PolarHBondContact O-OG1 3.31Å; V96-I146 HydrophobicContact CG2-CD1 4.16Å |
| 97 | H | 91.7 | Very high | 91.7 | Very high | 102 Ų | 102 | 55 Ų | 55 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | trans | -78.3 | 154.5 | 170.2 | -69 | -59.5 | 0 | 0 | 0 | 112.2 | N99 L100 V116 | H97-N99 VanDerWaalsContact C-N 3.25Å; H97-N99 WeakPolarHBondContact CB-OD1 3.45Å; H97-N99 PolarHBondContact O-N 2.96Å; H97-L100 PolarHBondContact O-N 3.19Å; H97-L100 VanDerWaalsContact O-N 3.11Å; H97-V116 VanDerWaalsContact CD2-CG2 3.46Å; H97-V116 WeakPolarHBondContact CD2-CG2 3.31Å; H97-V116 WeakPolarHBondContact NE2-CG2 3.46Å | ||
| 98 | E | 90 | Very high | 91.8 | Very high | 101 Ų | 101 | 55.3 Ų | 55.3 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -32.2 | -176.5 | -158.3 | 67.2 | -146.3 | 0 | 0 | 113.3 | L100 V101 T139 S141 | E98-L100 PolarHBondContact O-N 3.23Å; E98-V101 WeakPolarHBondContact O-CB 3.31Å; E98-V101 VanDerWaalsContact O-CG2 3.23Å; E98-V101 WeakPolarHBondContact O-CG2 3.37Å; E98-V101 PolarHBondContact O-N 3.25Å; E98-T139 WeakPolarHBondContact OE2-CB 3.42Å; E98-T139 PolarHBondContact OE2-OG1 3.26Å; E98-S141 PolarHBondContact OE2-OG 2.99Å |
| 99 | N | 89.5 | Confident | 92.1 | Very high | 122 Ų | 122 | 56.8 Ų | 56.8 | 65% | 0.652 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.7 | -29.5 | 178.3 | 60.6 | -15.2 | 0 | 0 | 0 | 112.8 | H97 V101 S102 | H97-N99 VanDerWaalsContact C-N 3.25Å; H97-N99 WeakPolarHBondContact CB-OD1 3.45Å; H97-N99 PolarHBondContact O-N 2.96Å; N99-V101 VanDerWaalsContact C-N 3.31Å; N99-S102 PolarHBondContact O-OG 3.43Å |
| 100 | L | 91.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 50.9 Ų | 50.9 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -77.8 | -17.6 | -178.6 | -161.6 | 64.7 | 0 | 0 | 0 | 112.7 | V96 H97 E98 S102 V103 L104 L110 | V96-L100 HydrophobicContact CB-CD2 4.1Å; V96-L100 HydrophobicContact CG1-CD2 4.05Å; H97-L100 PolarHBondContact O-N 3.19Å; H97-L100 VanDerWaalsContact O-N 3.11Å; E98-L100 PolarHBondContact O-N 3.23Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 3.29Å; L100-V103 HydrophobicContact CD1-CB 4.16Å; L100-V103 HydrophobicContact CD1-CG2 4.38Å; L100-V103 WeakPolarHBondContact O-CB 3.29Å; L100-V103 PolarHBondContact O-N 3.05Å; L100-L104 HydrophobicContact CD2-CD1 4.37Å; L100-L104 HydrophobicContact CG-CD1 4.22Å; L100-L104 HydrophobicContact CG-CG 4.26Å; L100-L104 PolarHBondContact O-N 3Å; L100-L110 HydrophobicContact CD2-CD1 3.58Å |
| 101 | V | 91.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -54.9 | -48.1 | 179.2 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | E98 N99 V103 L104 M105 T139 I146 M174 | E98-V101 WeakPolarHBondContact O-CB 3.31Å; E98-V101 VanDerWaalsContact O-CG2 3.23Å; E98-V101 WeakPolarHBondContact O-CG2 3.37Å; E98-V101 PolarHBondContact O-N 3.25Å; N99-V101 VanDerWaalsContact C-N 3.31Å; V101-V103 PolarHBondContact O-N 2.69Å; V101-L104 PolarHBondContact O-N 3.11Å; V101-M105 HydrophobicContact CG1-CG 4.17Å; V101-M105 HydrophobicContact CG1-SD 4.02Å; V101-M105 VanDerWaalsContact O-CG 3.29Å; V101-M105 WeakPolarHBondContact O-CG 3.37Å; V101-M105 PolarHBondContact O-N 3.23Å; V101-T139 HydrophobicContact CG2-CG2 3.4Å; V101-T139 VanDerWaalsContact CG2-CG2 3.4Å; V101-I146 HydrophobicContact CB-CD1 4.45Å; V101-I146 HydrophobicContact CG1-CD1 4.4Å; V101-I146 HydrophobicContact CG1-CG2 4.49Å; V101-I146 HydrophobicContact CG2-CD1 3.97Å; V101-M174 HydrophobicContact CG1-CE 4.15Å |
| 102 | S | 91.4 | Very high | 92.3 | Very high | 70 Ų | 70 | 53.7 Ų | 53.7 | 49% | 0.49 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.9 | -28.2 | -179.6 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | N99 L100 K106 | N99-S102 PolarHBondContact O-OG 3.43Å; L100-S102 VanDerWaalsContact C-N 3.3Å; L100-S102 PolarHBondContact O-N 3.29Å; S102-K106 WeakPolarHBondContact O-CG 3.28Å |
| 103 | V | 93.1 | Very high | 92.2 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -80.6 | -44.5 | 178 | -177.5 | 0 | 0 | 0 | 0 | 110 | L100 V101 M105 K106 A108 | L100-V103 HydrophobicContact CD1-CB 4.16Å; L100-V103 HydrophobicContact CD1-CG2 4.38Å; L100-V103 WeakPolarHBondContact O-CB 3.29Å; L100-V103 PolarHBondContact O-N 3.05Å; V101-V103 PolarHBondContact O-N 2.69Å; V103-M105 PolarHBondContact O-N 3.28Å; V103-K106 WeakPolarHBondContact O-CB 3.5Å; V103-K106 PolarHBondContact O-N 3.31Å; V103-K106 VanDerWaalsContact O-N 3.14Å; V103-A108 HydrophobicContact CG1-CB 3.92Å; V103-A108 WeakPolarHBondContact O-CB 3.28Å |
| 104 | L | 93.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 177 | -69.7 | 168.2 | 0 | 0 | 0 | 112 | V96 L100 V101 K106 G107 A108 L110 I137 I146 V170 | V96-L104 HydrophobicContact CG2-CD1 4.25Å; L100-L104 HydrophobicContact CD2-CD1 4.37Å; L100-L104 HydrophobicContact CG-CD1 4.22Å; L100-L104 HydrophobicContact CG-CG 4.26Å; L100-L104 PolarHBondContact O-N 3Å; V101-L104 PolarHBondContact O-N 3.11Å; L104-K106 PolarHBondContact O-N 2.93Å; L104-K106 VanDerWaalsContact O-N 3.14Å; L104-G107 WeakPolarHBondContact O-CA 3.29Å; L104-G107 PolarHBondContact O-N 2.92Å; L104-A108 WeakPolarHBondContact CD2-O 3.41Å; L104-L110 HydrophobicContact CD2-CB 4.31Å; L104-I137 HydrophobicContact CD1-CG2 3.95Å; L104-I137 HydrophobicContact CD2-CD1 4.32Å; L104-I146 HydrophobicContact CD1-CD1 3.64Å; L104-V170 HydrophobicContact CD2-CG2 4.35Å |
| 105 | M | 90.6 | Very high | 92 | Very high | 71 Ų | 71 | 55 Ų | 55 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -22.8 | 175.5 | -72 | -175.6 | 72.6 | 0 | 0 | 113.3 | V101 V103 G107 M174 | V101-M105 HydrophobicContact CG1-CG 4.17Å; V101-M105 HydrophobicContact CG1-SD 4.02Å; V101-M105 VanDerWaalsContact O-CG 3.29Å; V101-M105 WeakPolarHBondContact O-CG 3.37Å; V101-M105 PolarHBondContact O-N 3.23Å; V103-M105 PolarHBondContact O-N 3.28Å; M105-G107 PolarHBondContact O-N 3.25Å; M105-M174 HydrophobicContact CE-CE 3.89Å; M105-M174 WeakPolarHBondContact CE-O 3.33Å; M105-M174 HydrophobicContact CG-CE 4.26Å; M105-M174 WeakPolarHBondContact CG-O 3.32Å; M105-M174 HydrophobicContact SD-CE 3.45Å; M105-M174 WeakPolarHBondContact SD-CE 3.28Å |
| 106 | K | 89.2 | Confident | 91.7 | Very high | 158 Ų | 158 | 53.8 Ų | 53.8 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | 7.8 | 172 | -64.2 | 173.4 | -177.1 | 179.9 | 0 | 112.8 | L3 S102 V103 L104 | L3-K106 WeakPolarHBondContact CD2-O 3.11Å; S102-K106 WeakPolarHBondContact O-CG 3.28Å; V103-K106 WeakPolarHBondContact O-CB 3.5Å; V103-K106 PolarHBondContact O-N 3.31Å; V103-K106 VanDerWaalsContact O-N 3.14Å; L104-K106 PolarHBondContact O-N 2.93Å; L104-K106 VanDerWaalsContact O-N 3.14Å |
| 107 | G | 85.6 | Confident | 91.2 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 35% | 0.351 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 22.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L104 M105 | L104-G107 WeakPolarHBondContact O-CA 3.29Å; L104-G107 PolarHBondContact O-N 2.92Å; M105-G107 PolarHBondContact O-N 3.25Å |
| 108 | A | 93.6 | Very high | 90.4 | Very high | 36 Ų | 36 | 58.2 Ų | 58.2 | 30% | 0.298 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 150.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V103 L104 V170 | V103-A108 HydrophobicContact CG1-CB 3.92Å; V103-A108 WeakPolarHBondContact O-CB 3.28Å; L104-A108 WeakPolarHBondContact CD2-O 3.41Å; A108-V170 WeakPolarHBondContact O-CG2 3.36Å |
| 109 | D | 96.2 | Very high | 89.5 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 28% | 0.283 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 155.5 | 170.4 | -70.1 | -33.1 | 0 | 0 | 0 | 111.2 | M111 K166 V168 S169 V170 | D109-M111 PolarHBondContact O-N 3.21Å; D109-K166 HydrophobicContact CB-CD 3.85Å; D109-K166 HydrophobicContact CB-CG 3.96Å; D109-K166 WeakPolarHBondContact OD2-CD 3.19Å; D109-K166 WeakPolarHBondContact OD2-CE 2.99Å; D109-K166 IonicContact OD2-NZ 2.65Å; D109-K166 PolarHBondContact OD2-NZ 3.36Å; D109-V168 WeakPolarHBondContact CB-O 3.05Å; D109-S169 VanDerWaalsContact OD1-CA 3.31Å; D109-S169 WeakPolarHBondContact OD1-CA 3.35Å; D109-V170 PolarHBondContact OD1-N 2.97Å |
| 110 | L | 96.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 117.1 | 174.9 | -179.5 | 56.9 | 0 | 0 | 0 | 109.7 | F94 V96 L100 L104 V115 I137 A167 V168 | F94-L110 HydrophobicContact CB-CD2 3.89Å; F94-L110 HydrophobicContact CG-CD2 4.45Å; V96-L110 HydrophobicContact CG1-CD1 3.59Å; V96-L110 HydrophobicContact CG1-CD2 3.92Å; V96-L110 HydrophobicContact CG1-CG 4.43Å; L100-L110 HydrophobicContact CD2-CD1 3.58Å; L104-L110 HydrophobicContact CD2-CB 4.31Å; L110-V115 HydrophobicContact CD1-CG2 4.38Å; L110-V115 HydrophobicContact CD2-CG2 3.9Å; L110-V115 HydrophobicContact CG-CG2 4.03Å; L110-I137 HydrophobicContact CB-CD1 3.79Å; L110-I137 HydrophobicContact CD2-CD1 3.82Å; L110-I137 HydrophobicContact CD2-CG1 3.93Å; L110-I137 HydrophobicContact CD2-CG2 4.15Å; L110-I137 HydrophobicContact CG-CD1 4.41Å; L110-A167 HydrophobicContact CG-CB 4.43Å; L110-A167 WeakPolarHBondContact O-CA 3.1Å; L110-A167 WeakPolarHBondContact O-CB 3.49Å; L110-A167 PolarHBondContact O-N 2.83Å; L110-V168 HydrophobicContact CB-CB 4Å; L110-V168 HydrophobicContact CD2-CB 4.47Å; L110-V168 HydrophobicContact CD2-CG2 4.18Å; L110-V168 PolarHBondContact N-O 2.87Å; L110-V168 PolarHBondContact O-N 2.79Å; L110-V168 VanDerWaalsContact O-N 3.11Å |
| 111 | M | 95.2 | Very high | 87.8 | Confident | 93 Ų | 93 | 54.3 Ų | 54.3 | 46% | 0.458 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 145.4 | 172.3 | -56.9 | -60.5 | -73.4 | 0 | 0 | 110 | D109 P113 G114 G165 K166 | D109-M111 PolarHBondContact O-N 3.21Å; M111-P113 VanDerWaalsContact C-CD 3.4Å; M111-P113 VanDerWaalsContact C-N 3.33Å; M111-G114 PolarHBondContact O-N 2.75Å; M111-G165 CarbonylContact C-O 3.57Å; M111-G165 WeakPolarHBondContact CA-O 3.09Å; M111-G165 WeakPolarHBondContact CE-O 3.4Å; M111-K166 HydrophobicContact SD-CB 4.11Å; M111-K166 HydrophobicContact SD-CG 4.42Å |
| 112 | L | 90.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -51 | -42.2 | -179.9 | -114.6 | 97.2 | 0 | 0 | 0 | 114.3 | G114 V115 I121 M153 M158 G163 G165 A167 | L112-G114 PolarHBondContact O-N 2.85Å; L112-V115 WeakPolarHBondContact O-CB 3.42Å; L112-V115 PolarHBondContact O-N 3.36Å; L112-I121 HydrophobicContact CD2-CD1 3.73Å; L112-M153 HydrophobicContact CD1-SD 4.24Å; L112-M158 HydrophobicContact CD1-CB 4.19Å; L112-M158 HydrophobicContact CD1-CG 3.74Å; L112-M158 HydrophobicContact CD1-SD 4.13Å; L112-M158 HydrophobicContact CD2-CB 3.98Å; L112-M158 HydrophobicContact CD2-CG 4.43Å; L112-M158 VanDerWaalsContact CD2-O 3.31Å; L112-M158 WeakPolarHBondContact CD2-O 3.43Å; L112-G163 WeakPolarHBondContact CB-O 3.44Å; L112-G165 PolarHBondContact N-O 3.5Å; L112-A167 HydrophobicContact CD1-CB 3.6Å; L112-A167 HydrophobicContact CG-CB 4.12Å |
| 113 | P | 89.3 | Confident | 85.8 | Confident | 99 Ų | 99 | 56.1 Ų | 56.1 | 64% | 0.643 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -60.8 | -18.7 | 177.3 | -23.2 | 31.7 | 0 | 0 | 0 | 114.6 | M111 G163 | M111-P113 VanDerWaalsContact C-CD 3.4Å; M111-P113 VanDerWaalsContact C-N 3.33Å; P113-G163 WeakPolarHBondContact CD-O 3.23Å; P113-G163 WeakPolarHBondContact CG-O 3.23Å |
| 114 | G | 91.4 | Very high | 84.8 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 19% | 0.186 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -86.4 | -10.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V96 M111 L112 | V96-G114 WeakPolarHBondContact CG1-O 3.23Å; M111-G114 PolarHBondContact O-N 2.75Å; L112-G114 PolarHBondContact O-N 2.85Å |
| 115 | V | 92.3 | Very high | 83.9 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 11% | 0.109 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 131.1 | 178 | -176.8 | 0 | 0 | 0 | 0 | 109 | F94 K95 L110 L112 T117 F126 A167 | F94-V115 HydrophobicContact CD1-CG1 3.84Å; F94-V115 HydrophobicContact CD1-CG2 3.97Å; K95-V115 WeakPolarHBondContact O-CA 3.47Å; L110-V115 HydrophobicContact CD1-CG2 4.38Å; L110-V115 HydrophobicContact CD2-CG2 3.9Å; L110-V115 HydrophobicContact CG-CG2 4.03Å; L112-V115 WeakPolarHBondContact O-CB 3.42Å; L112-V115 PolarHBondContact O-N 3.36Å; V115-T117 HydrophobicContact CG1-CG2 4.25Å; V115-F126 HydrophobicContact CG1-CE1 3.93Å; V115-F126 HydrophobicContact CG1-CZ 4.26Å; V115-A167 HydrophobicContact CG2-CB 4Å |
| 116 | V | 88.5 | Confident | 83.5 | Confident | 32 Ų | 32 | 60.1 Ų | 60.1 | 19% | 0.194 | 35% | 0.345 | C | S | . | . | trans | -96.2 | 124 | 175 | -176.2 | 0 | 0 | 0 | 0 | 109 | K95 H97 T140 | K95-V116 HydrophobicContact CB-CB 4.32Å; K95-V116 PolarHBondContact O-N 2.88Å; H97-V116 VanDerWaalsContact CD2-CG2 3.46Å; H97-V116 WeakPolarHBondContact CD2-CG2 3.31Å; H97-V116 WeakPolarHBondContact NE2-CG2 3.46Å; V116-T140 HydrophobicContact CB-CG2 3.75Å; V116-T140 HydrophobicContact CG1-CG2 3.71Å; V116-T140 HydrophobicContact CG2-CG2 3.89Å | ||
| 117 | T | 83.8 | Confident | 83 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | trans | -120.6 | 155.6 | 175.5 | 50.3 | 0 | 0 | 0 | 0 | 109.5 | V115 G119 I121 T125 F126 | V115-T117 HydrophobicContact CG1-CG2 4.25Å; T117-G119 WeakPolarHBondContact CB-O 3.44Å; T117-G119 PolarHBondContact O-N 2.84Å; T117-G119 VanDerWaalsContact O-N 3.11Å; T117-G119 PolarHBondContact OG1-O 2.83Å; T117-I121 HydrophobicContact CG2-CG1 4.45Å; T117-T125 HydrophobicContact CG2-CG2 3.55Å; T117-F126 HydrophobicContact CG2-CE1 3.93Å; T117-F126 HydrophobicContact CG2-CZ 3.96Å | ||
| 118 | D | 73.8 | Confident | 82.7 | Confident | 154 Ų | 154 | 66.7 Ų | 66.7 | 82% | 0.824 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -74.9 | 4.8 | -178.9 | -59.5 | -46.9 | 0 | 0 | 0 | 113.1 | ||
| 119 | G | 72.4 | Confident | 82.4 | Confident | 38 Ų | 38 | 66 Ų | 66 | 39% | 0.392 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -176.7 | -168 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T117 | T117-G119 WeakPolarHBondContact CB-O 3.44Å; T117-G119 PolarHBondContact O-N 2.84Å; T117-G119 VanDerWaalsContact O-N 3.11Å; T117-G119 PolarHBondContact OG1-O 2.83Å |
| 120 | P | 69.7 | Low | 82.2 | Confident | 104 Ų | 104 | 70.1 Ų | 70.1 | 68% | 0.675 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -59.6 | 151.4 | 171.9 | 27.1 | -33.5 | 0 | 0 | 0 | 110.8 | L122 | P120-L122 PolarHBondContact O-N 3.04Š|
| 121 | I | 74.5 | Confident | 82.1 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 20% | 0.195 | 41% | 0.409 | C | S | . | . | trans | -70.3 | 120.9 | 176.3 | -59.3 | 177.1 | 0 | 0 | 0 | 108.1 | L112 T117 F126 Y159 | L112-I121 HydrophobicContact CD2-CD1 3.73Å; T117-I121 HydrophobicContact CG2-CG1 4.45Å; I121-F126 HydrophobicContact CD1-CZ 4.4Å; I121-F126 HydrophobicContact CG2-CE2 3.84Å; I121-Y159 VanDerWaalsContact O-CD2 3.31Å; I121-Y159 WeakPolarHBondContact O-CD2 3.47Å | ||
| 122 | L | 74.8 | Confident | 82 | Confident | 60 Ų | 60 | 73.7 Ų | 73.7 | 31% | 0.314 | 40% | 0.4 | S | S | . | . | trans | -117.7 | 165.6 | 179.6 | -64.6 | 172.8 | 0 | 0 | 0 | 109.6 | P120 Y124 T125 | P120-L122 PolarHBondContact O-N 3.04Å; L122-Y124 HydrophobicContact CB-CD1 4.38Å; L122-Y124 HydrophobicContact CB-CE1 4.07Å; L122-Y124 HydrophobicContact CB-CE2 4.24Å; L122-Y124 HydrophobicContact CD1-CE1 4.26Å; L122-Y124 HydrophobicContact CD1-CE2 3.99Å; L122-Y124 WeakPolarHBondContact CD1-OH 3.07Å; L122-Y124 PolarHBondContact O-N 3.12Å; L122-T125 PolarHBondContact N-OG1 3.49Å; L122-T125 PolarHBondContact O-N 3.09Å; L122-T125 VanDerWaalsContact O-N 3.1Å; L122-T125 PolarHBondContact O-OG1 3.23Å | ||
| 123 | P | 66.7 | Low | 82.2 | Confident | 58 Ų | 58 | 76.1 Ų | 76.1 | 38% | 0.377 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -3.1 | -179.2 | -24.4 | 34.4 | 0 | 0 | 0 | 115.8 | N155 Y159 | P123-N155 PolarHBondContact O-ND2 3.15Å; P123-Y159 HydrophobicContact CG-CD1 3.92Å; P123-Y159 HydrophobicContact CG-CD2 4.22Å; P123-Y159 HydrophobicContact CG-CE1 3.78Å; P123-Y159 HydrophobicContact CG-CE2 4.08Å; P123-Y159 HydrophobicContact CG-CG 4.14Å |
| 124 | Y | 74 | Confident | 82.5 | Confident | 158 Ų | 158 | 72.1 Ų | 72.1 | 62% | 0.62 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125 | 1.6 | 179.3 | 50.6 | -99.5 | 0 | 0 | 0 | 113.3 | L122 F126 N127 | L122-Y124 HydrophobicContact CB-CD1 4.38Å; L122-Y124 HydrophobicContact CB-CE1 4.07Å; L122-Y124 HydrophobicContact CB-CE2 4.24Å; L122-Y124 HydrophobicContact CD1-CE1 4.26Å; L122-Y124 HydrophobicContact CD1-CE2 3.99Å; L122-Y124 WeakPolarHBondContact CD1-OH 3.07Å; L122-Y124 PolarHBondContact O-N 3.12Å; Y124-F126 PolarHBondContact O-N 3.24Å; Y124-F126 VanDerWaalsContact O-N 3.13Å; Y124-N127 PolarHBondContact O-N 3.02Å; Y124-N127 VanDerWaalsContact O-N 3.17Å |
| 125 | T | 74.3 | Confident | 82.7 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31.7 | -173.7 | -63.1 | 0 | 0 | 0 | 0 | 113.6 | T117 L122 | T117-T125 HydrophobicContact CG2-CG2 3.55Å; L122-T125 PolarHBondContact N-OG1 3.49Å; L122-T125 PolarHBondContact O-N 3.09Å; L122-T125 VanDerWaalsContact O-N 3.1Å; L122-T125 PolarHBondContact O-OG1 3.23Å |
| 126 | F | 81 | Confident | 82.9 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 11% | 0.114 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 33.8 | -178.4 | -52.4 | -69.8 | 0 | 0 | 0 | 112.7 | F94 V115 T117 I121 Y124 K128 I129 N155 M158 | F94-F126 HydrophobicContact CD1-CD1 4.38Å; F94-F126 HydrophobicContact CD1-CE1 4.17Å; F94-F126 AromaticContact CE1-CD1 3.69Å; F94-F126 HydrophobicContact CE1-CD1 3.69Å; F94-F126 AromaticContact CE1-CE1 3.73Å; F94-F126 HydrophobicContact CE1-CE1 3.73Å; F94-F126 HydrophobicContact CE1-CG 4.35Å; F94-F126 HydrophobicContact CE1-CZ 4.41Å; F94-F126 HydrophobicContact CZ-CD1 4.21Å; V115-F126 HydrophobicContact CG1-CE1 3.93Å; V115-F126 HydrophobicContact CG1-CZ 4.26Å; T117-F126 HydrophobicContact CG2-CE1 3.93Å; T117-F126 HydrophobicContact CG2-CZ 3.96Å; I121-F126 HydrophobicContact CD1-CZ 4.4Å; I121-F126 HydrophobicContact CG2-CE2 3.84Å; Y124-F126 PolarHBondContact O-N 3.24Å; Y124-F126 VanDerWaalsContact O-N 3.13Å; F126-K128 VanDerWaalsContact C-N 3.26Å; F126-K128 PolarHBondContact O-N 2.92Å; F126-K128 VanDerWaalsContact O-N 3.09Å; F126-I129 HydrophobicContact CB-CG2 3.67Å; F126-I129 VanDerWaalsContact O-CB 3.29Å; F126-I129 WeakPolarHBondContact O-CB 3.47Å; F126-I129 WeakPolarHBondContact O-CG2 3.44Å; F126-I129 PolarHBondContact O-N 2.83Å; F126-N155 HydrophobicContact CB-CB 4.24Å; F126-N155 WeakPolarHBondContact CB-OD1 3.34Å; F126-N155 PolarHBondContact N-OD1 3.19Å; F126-M158 HydrophobicContact CD2-CB 4.17Å; F126-M158 HydrophobicContact CD2-SD 3.74Å; F126-M158 HydrophobicContact CE2-CB 3.95Å; F126-M158 HydrophobicContact CE2-SD 3.74Å; F126-M158 HydrophobicContact CG-SD 4.28Å; F126-M158 HydrophobicContact CZ-SD 4.29Å |
| 127 | N | 78.6 | Confident | 83.3 | Confident | 152 Ų | 152 | 68.9 Ų | 68.9 | 81% | 0.813 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 42.5 | 173.8 | -69.8 | -9 | 0 | 0 | 0 | 114.2 | Y124 I129 | Y124-N127 PolarHBondContact O-N 3.02Å; Y124-N127 VanDerWaalsContact O-N 3.17Å; N127-I129 PolarHBondContact O-N 2.78Å |
| 128 | K | 79.9 | Confident | 83.9 | Confident | 179 Ų | 179 | 66.9 Ų | 66.9 | 78% | 0.778 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 26.6 | -179 | -53.7 | 179.1 | 179.9 | 178.6 | 0 | 114.3 | F126 E130 | F126-K128 VanDerWaalsContact C-N 3.26Å; F126-K128 PolarHBondContact O-N 2.92Å; F126-K128 VanDerWaalsContact O-N 3.09Å; K128-E130 PolarHBondContact O-N 2.88Å |
| 129 | I | 86.9 | Confident | 84.8 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 11% | 0.108 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -58 | 130.5 | 179.3 | -159.3 | 164.4 | 0 | 0 | 0 | 111.3 | P92 F94 F126 N127 V133 T151 N155 | P92-I129 HydrophobicContact CB-CD1 4.18Å; P92-I129 HydrophobicContact CG-CD1 3.8Å; F94-I129 HydrophobicContact CE2-CD1 4.19Å; F126-I129 HydrophobicContact CB-CG2 3.67Å; F126-I129 VanDerWaalsContact O-CB 3.29Å; F126-I129 WeakPolarHBondContact O-CB 3.47Å; F126-I129 WeakPolarHBondContact O-CG2 3.44Å; F126-I129 PolarHBondContact O-N 2.83Å; N127-I129 PolarHBondContact O-N 2.78Å; I129-V133 HydrophobicContact CD1-CB 4.23Å; I129-V133 HydrophobicContact CD1-CG1 3.95Å; I129-V133 HydrophobicContact CG1-CB 3.86Å; I129-V133 HydrophobicContact CG1-CG1 3.87Å; I129-V133 HydrophobicContact CG1-CG2 4.11Å; I129-T151 HydrophobicContact CD1-CG2 3.65Å; I129-T151 HydrophobicContact CG1-CG2 4.04Å; I129-T151 HydrophobicContact CG2-CG2 4.39Å; I129-N155 HydrophobicContact CG2-CB 4.14Å; I129-N155 WeakPolarHBondContact O-CB 3.27Å; I129-N155 PolarHBondContact O-N 2.84Å |
| 130 | E | 92.1 | Very high | 85.6 | Confident | 139 Ų | 139 | 60.4 Ų | 60.4 | 65% | 0.65 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 167.7 | 177.4 | -65.9 | -169.2 | 168 | 0 | 0 | 111.9 | K128 V133 T151 | K128-E130 PolarHBondContact O-N 2.88Å; E130-V133 HydrophobicContact CB-CG2 3.93Å; E130-V133 WeakPolarHBondContact O-CG2 3.36Å; E130-T151 PolarHBondContact O-OG1 2.9Å |
| 131 | K | 94 | Very high | 86.4 | Confident | 143 Ų | 143 | 58.9 Ų | 58.9 | 62% | 0.622 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 137.5 | 172 | 178.7 | 176.9 | 176.4 | 179.7 | 0 | 110.1 | V133 A152 | K131-V133 VanDerWaalsContact C-N 3.35Å; K131-A152 WeakPolarHBondContact CD-O 3.25Å; K131-A152 WeakPolarHBondContact CE-O 3.13Å |
| 132 | G | 94.4 | Very high | 87.1 | Confident | 26 Ų | 26 | 57.6 Ų | 57.6 | 27% | 0.268 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -1.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | R150 T151 | G132-R150 WeakPolarHBondContact O-CD 3.34Å; G132-R150 PolarHBondContact O-NH1 2.8Å; G132-T151 WeakPolarHBondContact CA-O 3.32Å; G132-T151 PolarHBondContact N-O 3.17Å; G132-T151 PolarHBondContact N-OG1 2.92Å |
| 133 | V | 94.3 | Very high | 87.9 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | trans | -67.8 | 137.1 | 176.5 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | P92 I129 E130 K131 R150 T151 | P92-V133 HydrophobicContact CG-CG1 4.45Å; I129-V133 HydrophobicContact CD1-CB 4.23Å; I129-V133 HydrophobicContact CD1-CG1 3.95Å; I129-V133 HydrophobicContact CG1-CB 3.86Å; I129-V133 HydrophobicContact CG1-CG1 3.87Å; I129-V133 HydrophobicContact CG1-CG2 4.11Å; E130-V133 HydrophobicContact CB-CG2 3.93Å; E130-V133 WeakPolarHBondContact O-CG2 3.36Å; K131-V133 VanDerWaalsContact C-N 3.35Å; V133-R150 CarbonylContact O-C 3.59Å; V133-R150 VanDerWaalsContact O-CA 3.29Å; V133-R150 WeakPolarHBondContact O-CA 3.45Å; V133-T151 PolarHBondContact N-OG1 3.19Å; V133-T151 PolarHBondContact O-N 3.09Å; V133-T151 PolarHBondContact O-OG1 3.48Å | ||
| 134 | L | 95.4 | Very high | 89.1 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 131.4 | 175.7 | -148.1 | 80.6 | 0 | 0 | 0 | 110.1 | Y30 L78 P79 L91 P92 I148 R150 L171 | Y30-L134 WeakPolarHBondContact OH-CD2 3.3Å; L78-L134 HydrophobicContact CD2-CD1 3.36Å; L78-L134 HydrophobicContact CD2-CD2 3.7Å; L78-L134 HydrophobicContact CD2-CG 4.19Å; P79-L134 HydrophobicContact CG-CD2 4.48Å; L91-L134 HydrophobicContact CD1-CD2 3.84Å; L91-L134 HydrophobicContact CD1-CG 4.21Å; L91-L134 HydrophobicContact CD2-CB 4.11Å; L91-L134 HydrophobicContact CD2-CD2 3.97Å; L91-L134 HydrophobicContact CD2-CG 4.38Å; P92-L134 WeakPolarHBondContact CD-O 3.44Å; P92-L134 WeakPolarHBondContact CG-O 3.3Å; L134-I148 HydrophobicContact CD2-CG2 4.39Å; L134-I148 HydrophobicContact CG-CG2 4.39Å; L134-R150 HydrophobicContact CD1-CG 3.69Å; L134-L171 HydrophobicContact CD1-CD1 4.16Å |
| 135 | C | 95.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 165.7 | -178.3 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | P92 F94 G149 V168 | P92-C135 HydrophobicContact CG-CB 3.99Å; P92-C135 WeakPolarHBondContact O-CA 3.45Å; P92-C135 WeakPolarHBondContact O-CB 3.44Å; F94-C135 HydrophobicContact CD2-CB 4.03Å; F94-C135 HydrophobicContact CE2-CB 4.02Å; C135-G149 PolarHBondContact N-O 3.28Å; C135-G149 PolarHBondContact O-N 2.99Å; C135-V168 VanDerWaalsContact SG-CG1 3.55Å |
| 136 | C | 96.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 153 | 175.7 | 74.7 | 0 | 0 | 0 | 0 | 111.2 | L84 L91 P92 H93 F94 P145 A147 | L84-C136 HydrophobicContact CD1-CB 3.7Å; L91-C136 HydrophobicContact CB-CB 4.31Å; L91-C136 HydrophobicContact CD1-CB 4.44Å; P92-C136 PolarHBondContact O-N 2.69Å; H93-C136 CarbonylContact C-O 3.59Å; H93-C136 WeakPolarHBondContact CA-O 3.4Å; H93-C136 PolarHBondContact ND1-SG 3.33Å; F94-C136 PolarHBondContact N-O 3.38Å; C136-P145 HydrophobicContact CB-CB 3.85Å; C136-P145 HydrophobicContact CB-CG 3.94Å; C136-A147 CarbonylContact C-O 3.52Å; C136-A147 WeakPolarHBondContact CA-O 3.49Å |
| 137 | I | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.5 | 177.9 | -54.9 | 171.1 | 0 | 0 | 0 | 107.2 | F94 V96 L104 L110 P145 I146 A147 V168 V170 | F94-I137 WeakPolarHBondContact O-CA 3.27Å; V96-I137 HydrophobicContact CB-CG2 4.46Å; V96-I137 HydrophobicContact CG1-CG2 3.67Å; V96-I137 HydrophobicContact CG2-CG2 3.89Å; L104-I137 HydrophobicContact CD1-CG2 3.95Å; L104-I137 HydrophobicContact CD2-CD1 4.32Å; L110-I137 HydrophobicContact CB-CD1 3.79Å; L110-I137 HydrophobicContact CD2-CD1 3.82Å; L110-I137 HydrophobicContact CD2-CG1 3.93Å; L110-I137 HydrophobicContact CD2-CG2 4.15Å; L110-I137 HydrophobicContact CG-CD1 4.41Å; I137-P145 CarbonylContact O-C 3.47Å; I137-P145 VanDerWaalsContact O-CA 3.31Å; I137-P145 WeakPolarHBondContact O-CA 3.45Å; I137-I146 HydrophobicContact CB-CG1 4.23Å; I137-I146 HydrophobicContact CG2-CD1 4.1Å; I137-I146 HydrophobicContact CG2-CG1 4.11Å; I137-I146 VanDerWaalsContact O-CG1 3.29Å; I137-I146 WeakPolarHBondContact O-CG1 3.38Å; I137-I146 PolarHBondContact O-N 2.77Å; I137-A147 HydrophobicContact CB-CB 4.16Å; I137-A147 HydrophobicContact CD1-CB 4.07Å; I137-A147 HydrophobicContact CG1-CB 4.4Å; I137-A147 PolarHBondContact N-O 3.06Å; I137-A147 PolarHBondContact O-N 3.34Å; I137-V168 HydrophobicContact CD1-CB 4.4Å; I137-V168 HydrophobicContact CD1-CG1 4.28Å; I137-V170 HydrophobicContact CD1-CG2 3.81Å |
| 138 | S | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 158.9 | -179.4 | -60.7 | 0 | 0 | 0 | 0 | 110 | H93 F94 K95 V96 R143 P145 | H93-S138 PolarHBondContact CE1-OG 2.94Å; H93-S138 PolarHBondContact ND1-OG 2.95Å; F94-S138 PolarHBondContact O-N 3.34Å; K95-S138 CarbonylContact C-O 3.53Å; K95-S138 WeakPolarHBondContact CA-O 3.3Å; V96-S138 PolarHBondContact N-O 3.25Å; S138-R143 PolarHBondContact OG-O 3.34Å; S138-R143 VanDerWaalsContact OG-O 3.06Å; S138-P145 WeakPolarHBondContact OG-CA 3.39Å |
| 139 | T | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 150.8 | 177.3 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | V96 E98 V101 S141 N142 I146 R187 W192 | V96-T139 HydrophobicContact CG2-CG2 4.29Å; V96-T139 CarbonylContact O-C 3.49Å; V96-T139 WeakPolarHBondContact O-CA 3.45Å; E98-T139 WeakPolarHBondContact OE2-CB 3.42Å; E98-T139 PolarHBondContact OE2-OG1 3.26Å; V101-T139 HydrophobicContact CG2-CG2 3.4Å; V101-T139 VanDerWaalsContact CG2-CG2 3.4Å; T139-S141 WeakPolarHBondContact CB-OG 3.2Å; T139-S141 PolarHBondContact O-N 2.88Å; T139-S141 PolarHBondContact OG1-OG 3.36Å; T139-N142 PolarHBondContact N-O 3.45Å; T139-N142 VanDerWaalsContact N-O 3.15Å; T139-N142 CarbonylContact O-C 3.56Å; T139-N142 PolarHBondContact O-N 3.13Å; T139-N142 VanDerWaalsContact O-N 3.1Å; T139-N142 WeakPolarHBondContact OG1-CB 3.48Å; T139-N142 PolarHBondContact OG1-N 2.74Å; T139-N142 PolarHBondContact OG1-O 2.99Å; T139-I146 HydrophobicContact CG2-CD1 4.44Å; T139-R187 PolarHBondContact OG1-NH1 2.73Å; T139-R187 PolarHBondContact OG1-NH2 3Å; T139-W192 PolarHBondContact O-NE1 3.15Å |
| 140 | T | 89 | Confident | 93.9 | Very high | 55 Ų | 55 | 30.5 Ų | 30.5 | 34% | 0.337 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -31.5 | 170.2 | 42 | 0 | 0 | 0 | 0 | 112.4 | K95 V96 V116 W192 | K95-T140 HydrophobicContact CB-CG2 4.13Å; V96-T140 PolarHBondContact O-N 3.28Å; V96-T140 PolarHBondContact O-OG1 3.31Å; V116-T140 HydrophobicContact CB-CG2 3.75Å; V116-T140 HydrophobicContact CG1-CG2 3.71Å; V116-T140 HydrophobicContact CG2-CG2 3.89Å; T140-W192 VanDerWaalsContact O-CD1 3.32Å; T140-W192 PolarHBondContact O-NE1 2.78Å |
| 141 | S | 86.7 | Confident | 94.1 | Very high | 72 Ų | 72 | 24 Ų | 24 | 50% | 0.503 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -25.5 | 177.6 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | E98 T139 | E98-S141 PolarHBondContact OE2-OG 2.99Å; T139-S141 WeakPolarHBondContact CB-OG 3.2Å; T139-S141 PolarHBondContact O-N 2.88Å; T139-S141 PolarHBondContact OG1-OG 3.36Å |
| 142 | N | 87.4 | Confident | 94.2 | Very high | 12 Ų | 12 | 18.4 Ų | 18.4 | 6% | 0.064 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 121.4 | -169.1 | 179.1 | 1.6 | 0 | 0 | 0 | 110.4 | T139 A144 R187 P188 L190 | T139-N142 PolarHBondContact N-O 3.45Å; T139-N142 VanDerWaalsContact N-O 3.15Å; T139-N142 CarbonylContact O-C 3.56Å; T139-N142 PolarHBondContact O-N 3.13Å; T139-N142 VanDerWaalsContact O-N 3.1Å; T139-N142 WeakPolarHBondContact OG1-CB 3.48Å; T139-N142 PolarHBondContact OG1-N 2.74Å; T139-N142 PolarHBondContact OG1-O 2.99Å; N142-A144 VanDerWaalsContact C-N 3.29Å; N142-A144 PolarHBondContact O-N 3.39Å; N142-A144 VanDerWaalsContact OD1-CB 3.3Å; N142-A144 WeakPolarHBondContact OD1-CB 3.41Å; N142-A144 PolarHBondContact OD1-N 3.05Å; N142-R187 PolarHBondContact ND2-NE 2.86Å; N142-R187 PolarHBondContact O-NH2 2.88Å; N142-P188 PolarHBondContact ND2-O 2.91Å; N142-P188 PolarHBondContact OD1-O 3.09Å; N142-L190 PolarHBondContact OD1-N 3.04Å; N142-L190 PolarHBondContact OD1-O 3.12Å |
| 143 | R | 92.2 | Very high | 94.1 | Very high | 30 Ų | 30 | 19 Ų | 19 | 11% | 0.113 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | -20.2 | -178.9 | -173.1 | 178.9 | -178.2 | -154.7 | -3.4 | 113.4 | D89 H93 S138 P145 L190 P191 W192 | D89-R143 IonicContact OD1-CZ 3.26Å; D89-R143 IonicContact OD1-NH1 3.5Å; D89-R143 PolarHBondContact OD1-NH1 3.17Å; D89-R143 IonicContact OD1-NH2 3.04Å; D89-R143 PolarHBondContact OD1-NH2 3.32Å; D89-R143 IonicContact OD2-CZ 3.87Å; D89-R143 IonicContact OD2-NH1 2.67Å; D89-R143 PolarHBondContact OD2-NH1 3.43Å; D89-R143 IonicContact OD2-NH2 3.58Å; D89-R143 PolarHBondContact OD2-NH2 3.43Å; H93-R143 PolarHBondContact CE1-O 2.99Å; H93-R143 VanDerWaalsContact CE1-O 3.3Å; S138-R143 PolarHBondContact OG-O 3.34Å; S138-R143 VanDerWaalsContact OG-O 3.06Å; R143-P145 WeakPolarHBondContact O-CD 3.25Å; R143-L190 HydrophobicContact CB-CB 3.9Å; R143-L190 WeakPolarHBondContact CB-O 3.36Å; R143-L190 PolarHBondContact N-O 2.83Å; R143-P191 WeakPolarHBondContact CB-O 3.27Å; R143-P191 VanDerWaalsContact CD-O 3.25Å; R143-P191 WeakPolarHBondContact CD-O 3.35Å; R143-W192 HydrophobicContact CB-CD2 3.99Å; R143-W192 HydrophobicContact CB-CE3 4.36Å; R143-W192 HydrophobicContact CB-CG 4.35Å; R143-W192 HydrophobicContact CB-CZ2 4.28Å; R143-W192 HydrophobicContact CG-CD2 4.1Å; R143-W192 HydrophobicContact CG-CE3 3.94Å; R143-W192 HydrophobicContact CG-CH2 4.1Å; R143-W192 HydrophobicContact CG-CZ2 4.25Å; R143-W192 HydrophobicContact CG-CZ3 3.94Å |
| 144 | A | 93.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 118.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N142 I146 R187 P188 L190 | N142-A144 VanDerWaalsContact C-N 3.29Å; N142-A144 PolarHBondContact O-N 3.39Å; N142-A144 VanDerWaalsContact OD1-CB 3.3Å; N142-A144 WeakPolarHBondContact OD1-CB 3.41Å; N142-A144 PolarHBondContact OD1-N 3.05Å; A144-I146 PolarHBondContact O-N 3.48Å; A144-R187 HydrophobicContact CB-CG 3.94Å; A144-R187 PolarHBondContact O-NE 3.12Å; A144-R187 PolarHBondContact O-NH2 3.2Å; A144-P188 HydrophobicContact CB-CG 4.21Å; A144-P188 WeakPolarHBondContact CB-O 3.01Å; A144-L190 HydrophobicContact CB-CB 4.31Å; A144-L190 HydrophobicContact CB-CD1 3.9Å; A144-L190 HydrophobicContact CB-CG 4Å |
| 145 | P | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 140.5 | -173.2 | -31 | 40.7 | 0 | 0 | 0 | 114.2 | L84 W85 C136 I137 S138 R143 | L84-P145 HydrophobicContact CB-CB 4.4Å; L84-P145 HydrophobicContact CB-CG 3.93Å; L84-P145 HydrophobicContact CD1-CB 4.12Å; L84-P145 HydrophobicContact CD1-CG 4.11Å; W85-P145 PolarHBondContact NE1-O 2.82Å; C136-P145 HydrophobicContact CB-CB 3.85Å; C136-P145 HydrophobicContact CB-CG 3.94Å; I137-P145 CarbonylContact O-C 3.47Å; I137-P145 VanDerWaalsContact O-CA 3.31Å; I137-P145 WeakPolarHBondContact O-CA 3.45Å; S138-P145 WeakPolarHBondContact OG-CA 3.39Å; R143-P145 WeakPolarHBondContact O-CD 3.25Å |
| 146 | I | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -23.4 | 173.3 | 58.2 | 173.1 | 0 | 0 | 0 | 112 | V96 V101 L104 I137 T139 A144 V173 M174 | V96-I146 HydrophobicContact CG2-CD1 4.16Å; V101-I146 HydrophobicContact CB-CD1 4.45Å; V101-I146 HydrophobicContact CG1-CD1 4.4Å; V101-I146 HydrophobicContact CG1-CG2 4.49Å; V101-I146 HydrophobicContact CG2-CD1 3.97Å; L104-I146 HydrophobicContact CD1-CD1 3.64Å; I137-I146 HydrophobicContact CB-CG1 4.23Å; I137-I146 HydrophobicContact CG2-CD1 4.1Å; I137-I146 HydrophobicContact CG2-CG1 4.11Å; I137-I146 VanDerWaalsContact O-CG1 3.29Å; I137-I146 WeakPolarHBondContact O-CG1 3.38Å; I137-I146 PolarHBondContact O-N 2.77Å; T139-I146 HydrophobicContact CG2-CD1 4.44Å; A144-I146 PolarHBondContact O-N 3.48Å; I146-V173 WeakPolarHBondContact O-CG2 3.47Å; I146-M174 HydrophobicContact CB-CB 4.45Å; I146-M174 HydrophobicContact CG2-SD 4.29Å; I146-M174 VanDerWaalsContact O-CB 3.22Å; I146-M174 WeakPolarHBondContact O-CB 3.42Å; I146-M174 PolarHBondContact O-N 3.44Å |
| 147 | A | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 161.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111 | C136 I137 V170 H172 V173 | C136-A147 CarbonylContact C-O 3.52Å; C136-A147 WeakPolarHBondContact CA-O 3.49Å; I137-A147 HydrophobicContact CB-CB 4.16Å; I137-A147 HydrophobicContact CD1-CB 4.07Å; I137-A147 HydrophobicContact CG1-CB 4.4Å; I137-A147 PolarHBondContact N-O 3.06Å; I137-A147 PolarHBondContact O-N 3.34Å; A147-V170 HydrophobicContact CB-CG1 4.13Å; A147-H172 CarbonylContact C-O 3.54Å; A147-H172 VanDerWaalsContact CA-O 3.27Å; A147-H172 WeakPolarHBondContact CA-O 3.16Å; A147-V173 HydrophobicContact CB-CB 4.12Å; A147-V173 HydrophobicContact CB-CG2 3.93Å |
| 148 | I | 96.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.5 | 177.3 | -54.7 | 177.7 | 0 | 0 | 0 | 107.2 | P79 T80 V81 L84 L91 L134 L171 H172 | P79-I148 HydrophobicContact CG-CD1 4.43Å; P79-I148 WeakPolarHBondContact O-CD1 3.43Å; T80-I148 VanDerWaalsContact C-CD1 3.48Å; V81-I148 HydrophobicContact CG1-CD1 4.35Å; V81-I148 HydrophobicContact CG1-CG1 4.26Å; L84-I148 HydrophobicContact CD1-CD1 3.36Å; L84-I148 HydrophobicContact CD1-CG1 3.53Å; L84-I148 HydrophobicContact CG-CD1 4.09Å; L91-I148 HydrophobicContact CD1-CG2 4.11Å; L134-I148 HydrophobicContact CD2-CG2 4.39Å; L134-I148 HydrophobicContact CG-CG2 4.39Å; I148-L171 PolarHBondContact O-N 3.39Å; I148-H172 HydrophobicContact CB-CB 4.46Å; I148-H172 PolarHBondContact N-O 3.34Å; I148-H172 PolarHBondContact O-N 3.21Å; I148-H172 VanDerWaalsContact O-N 3.16Å |
| 149 | G | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | -173.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C135 S169 | C135-G149 PolarHBondContact N-O 3.28Å; C135-G149 PolarHBondContact O-N 2.99Å; G149-S169 CarbonylContact C-O 3.52Å; G149-S169 WeakPolarHBondContact CA-O 3.43Å |
| 150 | R | 95.8 | Very high | 90.6 | Very high | 93 Ų | 93 | 36.9 Ų | 36.9 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 140.2 | 171.8 | -77.1 | -180 | 170.2 | -137 | 11.8 | 110.4 | E76 G132 V133 L134 A152 V168 S169 L171 | E76-R150 IonicContact OE1-CZ 2.69Å; E76-R150 IonicContact OE1-NE 3.64Å; E76-R150 IonicContact OE1-NH2 3.9Å; E76-R150 PolarHBondContact OE1-NH2 2.71Å; E76-R150 IonicContact OE2-CZ 2.9Å; E76-R150 IonicContact OE2-NE 3.1Å; E76-R150 IonicContact OE2-NH2 3.82Å; E76-R150 PolarHBondContact OE2-NH2 3.08Å; G132-R150 WeakPolarHBondContact O-CD 3.34Å; G132-R150 PolarHBondContact O-NH1 2.8Å; V133-R150 CarbonylContact O-C 3.59Å; V133-R150 VanDerWaalsContact O-CA 3.29Å; V133-R150 WeakPolarHBondContact O-CA 3.45Å; L134-R150 HydrophobicContact CD1-CG 3.69Å; R150-A152 PolarHBondContact O-N 3.06Å; R150-V168 CarbonylContact O-C 3.58Å; R150-V168 WeakPolarHBondContact O-CA 3.43Å; R150-S169 PolarHBondContact N-O 3.47Å; R150-S169 PolarHBondContact O-N 3.3Å; R150-L171 HydrophobicContact CG-CD1 4.17Å |
| 151 | T | 96.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 127.5 | 173 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | F94 I129 E130 G132 V133 M158 A167 | F94-T151 HydrophobicContact CE2-CG2 3.91Å; F94-T151 HydrophobicContact CZ-CG2 4.08Å; I129-T151 HydrophobicContact CD1-CG2 3.65Å; I129-T151 HydrophobicContact CG1-CG2 4.04Å; I129-T151 HydrophobicContact CG2-CG2 4.39Å; E130-T151 PolarHBondContact O-OG1 2.9Å; G132-T151 WeakPolarHBondContact CA-O 3.32Å; G132-T151 PolarHBondContact N-O 3.17Å; G132-T151 PolarHBondContact N-OG1 2.92Å; V133-T151 PolarHBondContact N-OG1 3.19Å; V133-T151 PolarHBondContact O-N 3.09Å; V133-T151 PolarHBondContact O-OG1 3.48Å; T151-M158 HydrophobicContact CG2-CE 4.38Å; T151-A167 CarbonylContact C-O 3.56Å; T151-A167 WeakPolarHBondContact CA-O 3.48Å |
| 152 | A | 95.9 | Very high | 90 | Very high | 24 Ų | 24 | 36.6 Ų | 36.6 | 20% | 0.198 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -88.4 | -17.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K131 R150 K166 A167 | K131-A152 WeakPolarHBondContact CD-O 3.25Å; K131-A152 WeakPolarHBondContact CE-O 3.13Å; R150-A152 PolarHBondContact O-N 3.06Å; A152-K166 HydrophobicContact CB-CB 4.19Å; A152-K166 HydrophobicContact CB-CD 3.96Å; A152-K166 HydrophobicContact CB-CG 3.95Å; A152-K166 WeakPolarHBondContact CB-O 3.47Å; A152-A167 PolarHBondContact N-O 3.26Å |
| 153 | M | 91.4 | Very high | 89.3 | Confident | 40 Ų | 40 | 36.9 Ų | 36.9 | 20% | 0.197 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -134 | 149.5 | -178.1 | -65.5 | -178.2 | 76.9 | 0 | 0 | 108.8 | L112 D157 M158 S161 K166 | L112-M153 HydrophobicContact CD1-SD 4.24Å; M153-D157 HydrophobicContact CB-CB 3.95Å; M153-D157 HydrophobicContact CE-CB 3.72Å; M153-D157 WeakPolarHBondContact CE-O 3.34Å; M153-M158 HydrophobicContact CB-CE 4.28Å; M153-M158 HydrophobicContact CB-CG 3.76Å; M153-M158 WeakPolarHBondContact O-CE 3.3Å; M153-S161 WeakPolarHBondContact CE-OG 3.29Å; M153-K166 WeakPolarHBondContact CG-O 3.33Å |
| 154 | S | 90.4 | Very high | 88.9 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 19% | 0.189 | 22% | 0.223 | C | C | . | . | trans | -74 | 161.8 | 169.9 | 68.9 | 0 | 0 | 0 | 0 | 110.4 | Y156 D157 M158 | S154-Y156 PolarHBondContact O-N 3Å; S154-D157 WeakPolarHBondContact CB-OD2 3.35Å; S154-D157 PolarHBondContact N-OD2 2.83Å; S154-D157 PolarHBondContact O-N 2.78Å; S154-D157 PolarHBondContact OG-N 2.83Å; S154-D157 VanDerWaalsContact OG-N 3.14Å; S154-D157 PolarHBondContact OG-OD2 3.42Å; S154-M158 VanDerWaalsContact O-CG 3.27Å; S154-M158 WeakPolarHBondContact O-CG 3.35Å; S154-M158 PolarHBondContact O-N 3.34Å | ||
| 155 | N | 84.5 | Confident | 88.8 | Confident | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.053 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -50.9 | -40.9 | 173.7 | 167 | 83.7 | 0 | 0 | 0 | 112.3 | P123 F126 I129 M158 Y159 | P123-N155 PolarHBondContact O-ND2 3.15Å; F126-N155 HydrophobicContact CB-CB 4.24Å; F126-N155 WeakPolarHBondContact CB-OD1 3.34Å; F126-N155 PolarHBondContact N-OD1 3.19Å; I129-N155 HydrophobicContact CG2-CB 4.14Å; I129-N155 WeakPolarHBondContact O-CB 3.27Å; I129-N155 PolarHBondContact O-N 2.84Å; N155-M158 PolarHBondContact O-N 3.02Å; N155-Y159 PolarHBondContact O-N 2.84Å; N155-Y159 VanDerWaalsContact O-N 3.15Å |
| 156 | Y | 82.5 | Confident | 88.8 | Confident | 133 Ų | 133 | 49.9 Ų | 49.9 | 52% | 0.522 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 176.7 | -171.3 | -100.5 | 0 | 0 | 0 | 112 | S154 M158 Y159 M160 | S154-Y156 PolarHBondContact O-N 3Å; Y156-M158 VanDerWaalsContact C-N 3.34Å; Y156-M158 PolarHBondContact O-N 2.86Å; Y156-Y159 WeakPolarHBondContact O-CB 3.45Å; Y156-Y159 PolarHBondContact O-N 2.84Å; Y156-M160 HydrophobicContact CD1-CG 3.87Å; Y156-M160 HydrophobicContact CE1-CE 4.21Å; Y156-M160 HydrophobicContact CE1-CG 3.52Å; Y156-M160 HydrophobicContact CE1-SD 4.23Å; Y156-M160 HydrophobicContact CE2-CG 4.39Å; Y156-M160 HydrophobicContact CG-CG 4.45Å; Y156-M160 WeakPolarHBondContact O-CG 3.49Å; Y156-M160 PolarHBondContact O-N 3.19Å |
| 157 | D | 86.9 | Confident | 88.7 | Confident | 68 Ų | 68 | 49.9 Ų | 49.9 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.8 | -61.2 | -39.9 | 0 | 0 | 0 | 111.8 | M153 S154 Y159 M160 S161 | M153-D157 HydrophobicContact CB-CB 3.95Å; M153-D157 HydrophobicContact CE-CB 3.72Å; M153-D157 WeakPolarHBondContact CE-O 3.34Å; S154-D157 WeakPolarHBondContact CB-OD2 3.35Å; S154-D157 PolarHBondContact N-OD2 2.83Å; S154-D157 PolarHBondContact O-N 2.78Å; S154-D157 PolarHBondContact OG-N 2.83Å; S154-D157 VanDerWaalsContact OG-N 3.14Å; S154-D157 PolarHBondContact OG-OD2 3.42Å; D157-Y159 VanDerWaalsContact C-N 3.25Å; D157-Y159 PolarHBondContact O-N 2.81Å; D157-M160 PolarHBondContact O-N 2.83Å; D157-S161 WeakPolarHBondContact O-CB 3.46Å; D157-S161 PolarHBondContact O-N 2.94Å; D157-S161 PolarHBondContact O-OG 3.46Å |
| 158 | M | 86.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.1 | -39.1 | 176.4 | -70.7 | -163.8 | -173.9 | 0 | 0 | 111.5 | F94 L112 F126 T151 M153 S154 N155 Y156 S161 A167 | F94-M158 HydrophobicContact CE1-CE 4.05Å; F94-M158 HydrophobicContact CE1-SD 4.02Å; F94-M158 HydrophobicContact CZ-CE 3.87Å; F94-M158 HydrophobicContact CZ-SD 4.25Å; L112-M158 HydrophobicContact CD1-CB 4.19Å; L112-M158 HydrophobicContact CD1-CG 3.74Å; L112-M158 HydrophobicContact CD1-SD 4.13Å; L112-M158 HydrophobicContact CD2-CB 3.98Å; L112-M158 HydrophobicContact CD2-CG 4.43Å; L112-M158 VanDerWaalsContact CD2-O 3.31Å; L112-M158 WeakPolarHBondContact CD2-O 3.43Å; F126-M158 HydrophobicContact CD2-CB 4.17Å; F126-M158 HydrophobicContact CD2-SD 3.74Å; F126-M158 HydrophobicContact CE2-CB 3.95Å; F126-M158 HydrophobicContact CE2-SD 3.74Å; F126-M158 HydrophobicContact CG-SD 4.28Å; F126-M158 HydrophobicContact CZ-SD 4.29Å; T151-M158 HydrophobicContact CG2-CE 4.38Å; M153-M158 HydrophobicContact CB-CE 4.28Å; M153-M158 HydrophobicContact CB-CG 3.76Å; M153-M158 WeakPolarHBondContact O-CE 3.3Å; S154-M158 VanDerWaalsContact O-CG 3.27Å; S154-M158 WeakPolarHBondContact O-CG 3.35Å; S154-M158 PolarHBondContact O-N 3.34Å; N155-M158 PolarHBondContact O-N 3.02Å; Y156-M158 VanDerWaalsContact C-N 3.34Å; Y156-M158 PolarHBondContact O-N 2.86Å; M158-S161 PolarHBondContact O-OG 2.82Å; M158-A167 HydrophobicContact CE-CB 4.12Å; M158-A167 WeakPolarHBondContact CE-O 3.35Å |
| 159 | Y | 81.8 | Confident | 88.7 | Confident | 90 Ų | 90 | 51.7 Ų | 51.7 | 35% | 0.353 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.2 | -52.5 | 172.4 | 170.4 | -107.6 | 0 | 0 | 0 | 111.8 | I121 P123 N155 Y156 D157 S161 A162 | I121-Y159 VanDerWaalsContact O-CD2 3.31Å; I121-Y159 WeakPolarHBondContact O-CD2 3.47Å; P123-Y159 HydrophobicContact CG-CD1 3.92Å; P123-Y159 HydrophobicContact CG-CD2 4.22Å; P123-Y159 HydrophobicContact CG-CE1 3.78Å; P123-Y159 HydrophobicContact CG-CE2 4.08Å; P123-Y159 HydrophobicContact CG-CG 4.14Å; N155-Y159 PolarHBondContact O-N 2.84Å; N155-Y159 VanDerWaalsContact O-N 3.15Å; Y156-Y159 WeakPolarHBondContact O-CB 3.45Å; Y156-Y159 PolarHBondContact O-N 2.84Å; D157-Y159 VanDerWaalsContact C-N 3.25Å; D157-Y159 PolarHBondContact O-N 2.81Å; Y159-S161 PolarHBondContact O-N 3.47Å; Y159-A162 PolarHBondContact O-N 3.2Å; Y159-A162 VanDerWaalsContact O-N 3.08Å |
| 160 | M | 83.8 | Confident | 88.7 | Confident | 115 Ų | 115 | 52.5 Ų | 52.5 | 57% | 0.567 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.1 | -23 | -176 | -67.7 | -63 | -93.3 | 0 | 0 | 113.9 | Y156 D157 A162 | Y156-M160 HydrophobicContact CD1-CG 3.87Å; Y156-M160 HydrophobicContact CE1-CE 4.21Å; Y156-M160 HydrophobicContact CE1-CG 3.52Å; Y156-M160 HydrophobicContact CE1-SD 4.23Å; Y156-M160 HydrophobicContact CE2-CG 4.39Å; Y156-M160 HydrophobicContact CG-CG 4.45Å; Y156-M160 WeakPolarHBondContact O-CG 3.49Å; Y156-M160 PolarHBondContact O-N 3.19Å; D157-M160 PolarHBondContact O-N 2.83Å; M160-A162 PolarHBondContact O-N 3.41Å |
| 161 | S | 85 | Confident | 88.7 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 8.3 | 176.2 | 46.5 | 0 | 0 | 0 | 0 | 113.9 | M153 D157 M158 Y159 G163 R164 | M153-S161 WeakPolarHBondContact CE-OG 3.29Å; D157-S161 WeakPolarHBondContact O-CB 3.46Å; D157-S161 PolarHBondContact O-N 2.94Å; D157-S161 PolarHBondContact O-OG 3.46Å; M158-S161 PolarHBondContact O-OG 2.82Å; Y159-S161 PolarHBondContact O-N 3.47Å; S161-G163 PolarHBondContact O-N 2.69Å; S161-R164 WeakPolarHBondContact CB-O 3.35Å; S161-R164 WeakPolarHBondContact O-CB 3.46Å; S161-R164 PolarHBondContact O-N 3.38Å; S161-R164 PolarHBondContact OG-O 3.44Å |
| 162 | A | 76.7 | Confident | 88.6 | Confident | 86 Ų | 86 | 50.3 Ų | 50.3 | 71% | 0.711 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 43.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y159 M160 R164 | Y159-A162 PolarHBondContact O-N 3.2Å; Y159-A162 VanDerWaalsContact O-N 3.08Å; M160-A162 PolarHBondContact O-N 3.41Å; A162-R164 VanDerWaalsContact C-N 3.34Å; A162-R164 PolarHBondContact O-N 3.12Å |
| 163 | G | 72.1 | Confident | 88.5 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 19% | 0.186 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 13.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | L112 P113 S161 | L112-G163 WeakPolarHBondContact CB-O 3.44Å; P113-G163 WeakPolarHBondContact CD-O 3.23Å; P113-G163 WeakPolarHBondContact CG-O 3.23Å; S161-G163 PolarHBondContact O-N 2.69Å |
| 164 | R | 84.4 | Confident | 88.5 | Confident | 191 Ų | 191 | 48.8 Ų | 48.8 | 72% | 0.721 | 26% | 0.256 | S | S | * | . | trans | -113.4 | 159.6 | -179.9 | -62.1 | -173.3 | -179.7 | -179 | 1.4 | 112.1 | S161 A162 | S161-R164 WeakPolarHBondContact CB-O 3.35Å; S161-R164 WeakPolarHBondContact O-CB 3.46Å; S161-R164 PolarHBondContact O-N 3.38Å; S161-R164 PolarHBondContact OG-O 3.44Å; A162-R164 VanDerWaalsContact C-N 3.34Å; A162-R164 PolarHBondContact O-N 3.12Å | ||
| 165 | G | 90.6 | Very high | 88.2 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 97 | -174.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M111 L112 | M111-G165 CarbonylContact C-O 3.57Å; M111-G165 WeakPolarHBondContact CA-O 3.09Å; M111-G165 WeakPolarHBondContact CE-O 3.4Å; L112-G165 PolarHBondContact N-O 3.5Å |
| 166 | K | 95.2 | Very high | 88.6 | Confident | 83 Ų | 83 | 49 Ų | 49 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 119.8 | -176.6 | -172.7 | -175.5 | -59.5 | -168.8 | 0 | 109.1 | D109 M111 A152 M153 S169 | D109-K166 HydrophobicContact CB-CD 3.85Å; D109-K166 HydrophobicContact CB-CG 3.96Å; D109-K166 WeakPolarHBondContact OD2-CD 3.19Å; D109-K166 WeakPolarHBondContact OD2-CE 2.99Å; D109-K166 IonicContact OD2-NZ 2.65Å; D109-K166 PolarHBondContact OD2-NZ 3.36Å; M111-K166 HydrophobicContact SD-CB 4.11Å; M111-K166 HydrophobicContact SD-CG 4.42Å; A152-K166 HydrophobicContact CB-CB 4.19Å; A152-K166 HydrophobicContact CB-CD 3.96Å; A152-K166 HydrophobicContact CB-CG 3.95Å; A152-K166 WeakPolarHBondContact CB-O 3.47Å; M153-K166 WeakPolarHBondContact CG-O 3.33Å; K166-S169 WeakPolarHBondContact CD-OG 2.88Å |
| 167 | A | 94.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | -50.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L110 L112 V115 T151 A152 M158 | L110-A167 HydrophobicContact CG-CB 4.43Å; L110-A167 WeakPolarHBondContact O-CA 3.1Å; L110-A167 WeakPolarHBondContact O-CB 3.49Å; L110-A167 PolarHBondContact O-N 2.83Å; L112-A167 HydrophobicContact CD1-CB 3.6Å; L112-A167 HydrophobicContact CG-CB 4.12Å; V115-A167 HydrophobicContact CG2-CB 4Å; T151-A167 CarbonylContact C-O 3.56Å; T151-A167 WeakPolarHBondContact CA-O 3.48Å; A152-A167 PolarHBondContact N-O 3.26Å; M158-A167 HydrophobicContact CE-CB 4.12Å; M158-A167 WeakPolarHBondContact CE-O 3.35Å |
| 168 | V | 96.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.9 | -174.5 | -177.7 | 0 | 0 | 0 | 0 | 110.2 | F94 D109 L110 C135 I137 R150 | F94-V168 HydrophobicContact CD1-CG2 4.42Å; F94-V168 HydrophobicContact CD2-CG2 3.84Å; F94-V168 HydrophobicContact CE2-CG2 4.02Å; F94-V168 HydrophobicContact CG-CG2 4.06Å; F94-V168 HydrophobicContact CZ-CG2 4.39Å; D109-V168 WeakPolarHBondContact CB-O 3.05Å; L110-V168 HydrophobicContact CB-CB 4Å; L110-V168 HydrophobicContact CD2-CB 4.47Å; L110-V168 HydrophobicContact CD2-CG2 4.18Å; L110-V168 PolarHBondContact N-O 2.87Å; L110-V168 PolarHBondContact O-N 2.79Å; L110-V168 VanDerWaalsContact O-N 3.11Å; C135-V168 VanDerWaalsContact SG-CG1 3.55Å; I137-V168 HydrophobicContact CD1-CB 4.4Å; I137-V168 HydrophobicContact CD1-CG1 4.28Å; R150-V168 CarbonylContact O-C 3.58Å; R150-V168 WeakPolarHBondContact O-CA 3.43Å |
| 169 | S | 96.7 | Very high | 89.1 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 117.5 | 169.2 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | D109 G149 R150 K166 | D109-S169 VanDerWaalsContact OD1-CA 3.31Å; D109-S169 WeakPolarHBondContact OD1-CA 3.35Å; G149-S169 CarbonylContact C-O 3.52Å; G149-S169 WeakPolarHBondContact CA-O 3.43Å; R150-S169 PolarHBondContact N-O 3.47Å; R150-S169 PolarHBondContact O-N 3.3Å; K166-S169 WeakPolarHBondContact CD-OG 2.88Å |
| 170 | V | 96.3 | Very high | 89.2 | Confident | 17 Ų | 17 | 42.1 Ų | 42.1 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 125.7 | -170.3 | 175.3 | 0 | 0 | 0 | 0 | 111 | L104 A108 D109 I137 A147 V173 | L104-V170 HydrophobicContact CD2-CG2 4.35Å; A108-V170 WeakPolarHBondContact O-CG2 3.36Å; D109-V170 PolarHBondContact OD1-N 2.97Å; I137-V170 HydrophobicContact CD1-CG2 3.81Å; A147-V170 HydrophobicContact CB-CG1 4.13Å; V170-V173 HydrophobicContact CG1-CB 4.15Å |
| 171 | L | 94.4 | Very high | 89.1 | Confident | 44 Ų | 44 | 39.6 Ų | 39.6 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -50 | -179.8 | -62.6 | 174.7 | 0 | 0 | 0 | 111.2 | M1 L78 L134 I148 R150 | M1-L171 WeakPolarHBondContact CA-O 3.05Å; M1-L171 WeakPolarHBondContact CB-O 3.35Å; M1-L171 PolarHBondContact N-O 3.46Å; L78-L171 HydrophobicContact CD1-CD1 4.42Å; L78-L171 HydrophobicContact CD2-CD1 4.23Å; L134-L171 HydrophobicContact CD1-CD1 4.16Å; I148-L171 PolarHBondContact O-N 3.39Å; R150-L171 HydrophobicContact CG-CD1 4.17Å |
| 172 | H | 94.5 | Very high | 88.7 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 138 | -175.9 | 173.7 | 49.6 | 0 | 0 | 0 | 109.3 | F2 V81 A147 I148 D176 C179 | F2-H172 HydrophobicContact CD2-CB 4.32Å; F2-H172 HydrophobicContact CE2-CB 4.45Å; V81-H172 PolarHBondContact N-CD2 3.4Å; V81-H172 PolarHBondContact N-NE2 3.42Å; A147-H172 CarbonylContact C-O 3.54Å; A147-H172 VanDerWaalsContact CA-O 3.27Å; A147-H172 WeakPolarHBondContact CA-O 3.16Å; I148-H172 HydrophobicContact CB-CB 4.46Å; I148-H172 PolarHBondContact N-O 3.34Å; I148-H172 PolarHBondContact O-N 3.21Å; I148-H172 VanDerWaalsContact O-N 3.16Å; H172-D176 IonicContact CE1-OD1 3.46Å; H172-D176 PolarHBondContact CE1-OD1 3.48Å; H172-D176 IonicContact CE1-OD2 3.83Å; H172-D176 PolarHBondContact CE1-OD2 3.31Å; H172-D176 IonicContact CG-OD2 2.79Å; H172-D176 IonicContact ND1-OD1 3.67Å; H172-D176 PolarHBondContact ND1-OD1 2.93Å; H172-D176 IonicContact ND1-OD2 3.72Å; H172-D176 PolarHBondContact ND1-OD2 2.94Å; H172-C179 VanDerWaalsContact CE1-SG 3.51Å |
| 173 | V | 94.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 147.2 | -176.4 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | I146 A147 V170 G175 D176 C179 | I146-V173 WeakPolarHBondContact O-CG2 3.47Å; A147-V173 HydrophobicContact CB-CB 4.12Å; A147-V173 HydrophobicContact CB-CG2 3.93Å; V170-V173 HydrophobicContact CG1-CB 4.15Å; V173-G175 PolarHBondContact O-N 3.04Å; V173-D176 HydrophobicContact CG1-CB 4.09Å; V173-D176 PolarHBondContact N-OD2 3.19Å; V173-D176 VanDerWaalsContact N-OD2 3.15Å; V173-D176 WeakPolarHBondContact O-CB 3.33Å; V173-D176 PolarHBondContact O-N 3.16Å; V173-C179 PolarHBondContact O-SG 2.91Å |
| 174 | M | 90.3 | Very high | 87.6 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 13% | 0.133 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 120.6 | 168.8 | -170.9 | -177 | 87.9 | 0 | 0 | 109.8 | V101 M105 I146 F185 R187 | V101-M174 HydrophobicContact CG1-CE 4.15Å; M105-M174 HydrophobicContact CE-CE 3.89Å; M105-M174 WeakPolarHBondContact CE-O 3.33Å; M105-M174 HydrophobicContact CG-CE 4.26Å; M105-M174 WeakPolarHBondContact CG-O 3.32Å; M105-M174 HydrophobicContact SD-CE 3.45Å; M105-M174 WeakPolarHBondContact SD-CE 3.28Å; I146-M174 HydrophobicContact CB-CB 4.45Å; I146-M174 HydrophobicContact CG2-SD 4.29Å; I146-M174 VanDerWaalsContact O-CB 3.22Å; I146-M174 WeakPolarHBondContact O-CB 3.42Å; I146-M174 PolarHBondContact O-N 3.44Å; M174-F185 HydrophobicContact CB-CE1 4.05Å; M174-F185 HydrophobicContact CB-CZ 4.06Å; M174-F185 HydrophobicContact CG-CD1 4.29Å; M174-F185 HydrophobicContact CG-CE1 3.15Å; M174-F185 HydrophobicContact CG-CZ 3.43Å; M174-F185 VanDerWaalsContact CG-CZ 3.43Å; M174-F185 HydrophobicContact SD-CE1 4.45Å; M174-R187 HydrophobicContact SD-CB 3.89Å; M174-R187 HydrophobicContact SD-CG 4.28Å |
| 175 | G | 85.1 | Confident | 86.9 | Confident | 39 Ų | 39 | 35.1 Ų | 35.1 | 40% | 0.402 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 2.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | V173 | V173-G175 PolarHBondContact O-N 3.04Š|
| 176 | D | 91.4 | Very high | 86.2 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -75.3 | 178.1 | 171.4 | 74.4 | 11.9 | 0 | 0 | 0 | 113.4 | F2 H172 V173 V178 C179 S180 | F2-D176 HydrophobicContact CB-CB 4.26Å; H172-D176 IonicContact CE1-OD1 3.46Å; H172-D176 PolarHBondContact CE1-OD1 3.48Å; H172-D176 IonicContact CE1-OD2 3.83Å; H172-D176 PolarHBondContact CE1-OD2 3.31Å; H172-D176 IonicContact CG-OD2 2.79Å; H172-D176 IonicContact ND1-OD1 3.67Å; H172-D176 PolarHBondContact ND1-OD1 2.93Å; H172-D176 IonicContact ND1-OD2 3.72Å; H172-D176 PolarHBondContact ND1-OD2 2.94Å; V173-D176 HydrophobicContact CG1-CB 4.09Å; V173-D176 PolarHBondContact N-OD2 3.19Å; V173-D176 VanDerWaalsContact N-OD2 3.15Å; V173-D176 WeakPolarHBondContact O-CB 3.33Å; V173-D176 PolarHBondContact O-N 3.16Å; D176-V178 PolarHBondContact O-N 3.26Å; D176-V178 WeakPolarHBondContact OD1-CB 3.44Å; D176-V178 PolarHBondContact OD1-N 3.23Å; D176-C179 WeakPolarHBondContact O-CB 3.4Å; D176-C179 PolarHBondContact O-N 2.96Å; D176-C179 PolarHBondContact OD1-N 3.31Å; D176-C179 PolarHBondContact OD1-SG 3.44Å; D176-S180 PolarHBondContact O-N 3.13Å; D176-S180 PolarHBondContact O-OG 3Å |
| 177 | H | 90.6 | Very high | 85.8 | Confident | 64 Ų | 64 | 36.3 Ų | 36.3 | 30% | 0.296 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -17.9 | -176.7 | -74.8 | -76.3 | 0 | 0 | 0 | 113.8 | F2 L3 K4 P5 F6 | F2-H177 WeakPolarHBondContact O-CB 3.33Å; F2-H177 PolarHBondContact O-CD2 3.45Å; F2-H177 PolarHBondContact O-N 3.49Å; F2-H177 VanDerWaalsContact O-N 3.09Å; L3-H177 PolarHBondContact O-CD2 3.13Å; L3-H177 PolarHBondContact O-NE2 3.09Å; K4-H177 PolarHBondContact O-CD2 2.94Å; P5-H177 VanDerWaalsContact CD-NE2 3.35Å; P5-H177 WeakPolarHBondContact CD-NE2 3.49Å; P5-H177 VanDerWaalsContact N-CD2 3.29Å; F6-H177 HydrophobicContact CD1-CB 3.81Å; F6-H177 VanDerWaalsContact CE1-C 3.47Å; F6-H177 HydrophobicContact CE1-CB 3.36Å; F6-H177 HydrophobicContact CZ-CB 4.1Å; F6-H177 WeakPolarHBondContact CZ-O 3.08Å |
| 178 | V | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -43.6 | 172 | 176.7 | 0 | 0 | 0 | 0 | 109.2 | F2 F6 I61 P68 I71 D176 S180 L181 | F2-V178 HydrophobicContact CB-CG2 3.74Å; F2-V178 HydrophobicContact CD1-CG2 3.67Å; F2-V178 HydrophobicContact CD2-CG2 3.75Å; F2-V178 HydrophobicContact CE1-CG2 4.23Å; F2-V178 HydrophobicContact CE2-CG2 4.29Å; F2-V178 HydrophobicContact CG-CG2 3.42Å; F2-V178 VanDerWaalsContact CG-CG2 3.42Å; F6-V178 HydrophobicContact CE1-CG2 3.76Å; F6-V178 HydrophobicContact CZ-CG2 4.14Å; I61-V178 HydrophobicContact CD1-CG1 4.19Å; I61-V178 HydrophobicContact CD1-CG2 3.73Å; P68-V178 HydrophobicContact CB-CG1 4.29Å; P68-V178 HydrophobicContact CG-CG1 4.18Å; I71-V178 HydrophobicContact CD1-CG1 4.35Å; D176-V178 PolarHBondContact O-N 3.26Å; D176-V178 WeakPolarHBondContact OD1-CB 3.44Å; D176-V178 PolarHBondContact OD1-N 3.23Å; V178-S180 PolarHBondContact O-N 3.19Å; V178-L181 VanDerWaalsContact O-CB 3.3Å; V178-L181 WeakPolarHBondContact O-CB 3.5Å; V178-L181 WeakPolarHBondContact O-CG 3.5Å; V178-L181 PolarHBondContact O-N 3.31Å; V178-L181 VanDerWaalsContact O-N 3.15Å |
| 179 | C | 87 | Confident | 84.7 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -60.3 | -36.9 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | Y82 H172 V173 D176 L181 V182 F185 | Y82-C179 PolarHBondContact OH-O 3.16Å; Y82-C179 VanDerWaalsContact OH-O 3.04Å; H172-C179 VanDerWaalsContact CE1-SG 3.51Å; V173-C179 PolarHBondContact O-SG 2.91Å; D176-C179 WeakPolarHBondContact O-CB 3.4Å; D176-C179 PolarHBondContact O-N 2.96Å; D176-C179 PolarHBondContact OD1-N 3.31Å; D176-C179 PolarHBondContact OD1-SG 3.44Å; C179-L181 PolarHBondContact O-N 3.15Å; C179-L181 VanDerWaalsContact O-N 3.09Å; C179-V182 PolarHBondContact O-N 3.23Å; C179-V182 VanDerWaalsContact O-N 3.12Å; C179-V182 VanDerWaalsContact O-O 3.1Å; C179-F185 HydrophobicContact CB-CD1 4.19Å; C179-F185 HydrophobicContact CB-CD2 4.31Å; C179-F185 HydrophobicContact CB-CE1 3.82Å; C179-F185 HydrophobicContact CB-CE2 3.96Å; C179-F185 HydrophobicContact CB-CG 4.37Å; C179-F185 HydrophobicContact CB-CZ 3.7Å; C179-F185 WeakPolarHBondContact SG-CZ 3.29Å |
| 180 | S | 84.5 | Confident | 84 | Confident | 81 Ų | 81 | 40.3 Ų | 40.3 | 57% | 0.566 | 24% | 0.237 | S | C | * | . | G | 310 helix | trans | -62.6 | -14.2 | 178.6 | -56.2 | 0 | 0 | 0 | 0 | 114.4 | D176 V178 V182 | D176-S180 PolarHBondContact O-N 3.13Å; D176-S180 PolarHBondContact O-OG 3Å; V178-S180 PolarHBondContact O-N 3.19Å; S180-V182 PolarHBondContact O-N 3.04Å |
| 181 | L | 80.6 | Confident | 83.1 | Confident | 63 Ų | 63 | 41.7 Ų | 41.7 | 33% | 0.33 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -70.9 | -14.4 | 175.2 | -61.6 | 174.3 | 0 | 0 | 0 | 113 | F6 I61 V178 C179 | F6-L181 HydrophobicContact CZ-CD1 4.16Å; F6-L181 HydrophobicContact CZ-CD2 4.49Å; F6-L181 HydrophobicContact CZ-CG 4.42Å; I61-L181 HydrophobicContact CD1-CD1 4.34Å; V178-L181 VanDerWaalsContact O-CB 3.3Å; V178-L181 WeakPolarHBondContact O-CB 3.5Å; V178-L181 WeakPolarHBondContact O-CG 3.5Å; V178-L181 PolarHBondContact O-N 3.31Å; V178-L181 VanDerWaalsContact O-N 3.15Å; C179-L181 PolarHBondContact O-N 3.15Å; C179-L181 VanDerWaalsContact O-N 3.09Å |
| 182 | V | 77.2 | Confident | 82.5 | Confident | 27 Ų | 27 | 42.7 Ų | 42.7 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -124.9 | 133.1 | 179.1 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | N66 P68 Y82 C179 S180 | N66-V182 VanDerWaalsContact O-CG2 3.3Å; N66-V182 WeakPolarHBondContact O-CG2 3.31Å; P68-V182 HydrophobicContact CG-CG2 4.06Å; Y82-V182 HydrophobicContact CE2-CG2 4.37Å; Y82-V182 WeakPolarHBondContact OH-CB 3.42Å; C179-V182 PolarHBondContact O-N 3.23Å; C179-V182 VanDerWaalsContact O-N 3.12Å; C179-V182 VanDerWaalsContact O-O 3.1Å; S180-V182 PolarHBondContact O-N 3.04Å |
| 183 | S | 68 | Low | 81.5 | Confident | 97 Ų | 97 | 45.8 Ų | 45.8 | 68% | 0.678 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -136.1 | 132.5 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | ||
| 184 | P | 56.8 | Low | 79.5 | Confident | 61 Ų | 61 | 51.1 Ų | 51.1 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | S | Bend | cis | -77.8 | 155.7 | 1.1 | 32.2 | -33.7 | 0 | 0 | 0 | 113.3 | I538 | P184-I538 HydrophobicContact CB-CD1 4.49Š|
| 185 | F | 69.8 | Low | 77.7 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 22% | 0.219 | 32% | 0.323 | C | S | . | . | trans | -114.5 | 91.9 | 176.9 | 179.2 | -121.6 | 0 | 0 | 0 | 110 | V81 Y82 W85 M174 C179 | V81-F185 HydrophobicContact CG2-CE2 4.12Å; V81-F185 HydrophobicContact CG2-CZ 4.06Å; Y82-F185 HydrophobicContact CD1-CE2 4.4Å; Y82-F185 AromaticContact CE1-CD2 3.46Å; Y82-F185 HydrophobicContact CE1-CD2 3.46Å; Y82-F185 VanDerWaalsContact CE1-CD2 3.46Å; Y82-F185 AromaticContact CE1-CE2 3.59Å; Y82-F185 HydrophobicContact CE1-CE2 3.59Å; Y82-F185 HydrophobicContact CE2-CD2 4.42Å; Y82-F185 HydrophobicContact CE2-CE2 4.1Å; Y82-F185 AromaticContact CZ-CD2 3.35Å; Y82-F185 AromaticContact CZ-CE2 3.4Å; Y82-F185 VanDerWaalsContact CZ-CE2 3.4Å; Y82-F185 WeakPolarHBondContact OH-CD2 3.47Å; Y82-F185 WeakPolarHBondContact OH-CE2 3.44Å; W85-F185 AromaticContact CH2-CD2 3.84Å; W85-F185 HydrophobicContact CH2-CD2 3.84Å; W85-F185 AromaticContact CH2-CE2 3.24Å; W85-F185 HydrophobicContact CH2-CE2 3.24Å; W85-F185 AromaticContact CH2-CZ 3.72Å; W85-F185 HydrophobicContact CH2-CZ 3.72Å; W85-F185 HydrophobicContact CZ2-CE2 4.02Å; W85-F185 HydrophobicContact CZ2-CZ 4.13Å; W85-F185 HydrophobicContact CZ3-CD2 4.24Å; W85-F185 AromaticContact CZ3-CE2 3.9Å; W85-F185 HydrophobicContact CZ3-CE2 3.9Å; M174-F185 HydrophobicContact CB-CE1 4.05Å; M174-F185 HydrophobicContact CB-CZ 4.06Å; M174-F185 HydrophobicContact CG-CD1 4.29Å; M174-F185 HydrophobicContact CG-CE1 3.15Å; M174-F185 HydrophobicContact CG-CZ 3.43Å; M174-F185 VanDerWaalsContact CG-CZ 3.43Å; M174-F185 HydrophobicContact SD-CE1 4.45Å; C179-F185 HydrophobicContact CB-CD1 4.19Å; C179-F185 HydrophobicContact CB-CD2 4.31Å; C179-F185 HydrophobicContact CB-CE1 3.82Å; C179-F185 HydrophobicContact CB-CE2 3.96Å; C179-F185 HydrophobicContact CB-CG 4.37Å; C179-F185 HydrophobicContact CB-CZ 3.7Å; C179-F185 WeakPolarHBondContact SG-CZ 3.29Å | ||
| 186 | N | 77 | Confident | 75.1 | Confident | 94 Ų | 94 | 60.4 Ų | 60.4 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | trans | -116.5 | 120.3 | -179.5 | -71.8 | -23.5 | 0 | 0 | 0 | 109.5 | W85 P188 E505 | W85-N186 WeakPolarHBondContact CZ3-O 3.37Å; N186-P188 WeakPolarHBondContact O-CD 3.46Å; N186-E505 PolarHBondContact ND2-OE1 2.7Å | ||
| 187 | R | 86.9 | Confident | 72.2 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 16% | 0.162 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 119.8 | 175 | -179.1 | -175 | 177.3 | -147.7 | -0.8 | 108.8 | W85 T139 N142 A144 M174 | W85-R187 HydrophobicContact CH2-CB 4.08Å; W85-R187 HydrophobicContact CZ2-CB 3.9Å; W85-R187 HydrophobicContact CZ2-CG 3.93Å; T139-R187 PolarHBondContact OG1-NH1 2.73Å; T139-R187 PolarHBondContact OG1-NH2 3Å; N142-R187 PolarHBondContact ND2-NE 2.86Å; N142-R187 PolarHBondContact O-NH2 2.88Å; A144-R187 HydrophobicContact CB-CG 3.94Å; A144-R187 PolarHBondContact O-NE 3.12Å; A144-R187 PolarHBondContact O-NH2 3.2Å; M174-R187 HydrophobicContact SD-CB 3.89Å; M174-R187 HydrophobicContact SD-CG 4.28Å |
| 188 | P | 85.7 | Confident | 69.1 | Low | 48 Ų | 48 | 72.5 Ų | 72.5 | 31% | 0.312 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 160.7 | 174.8 | 28.5 | -31.7 | 0 | 0 | 0 | 109.8 | W85 N142 A144 N186 | W85-P188 HydrophobicContact CB-CG 3.75Å; W85-P188 HydrophobicContact CD2-CG 3.79Å; W85-P188 HydrophobicContact CE3-CG 3.92Å; W85-P188 HydrophobicContact CG-CG 3.71Å; N142-P188 PolarHBondContact ND2-O 2.91Å; N142-P188 PolarHBondContact OD1-O 3.09Å; A144-P188 HydrophobicContact CB-CG 4.21Å; A144-P188 WeakPolarHBondContact CB-O 3.01Å; N186-P188 WeakPolarHBondContact O-CD 3.46Å |
| 189 | I | 82.2 | Confident | 66.2 | Low | 36 Ų | 36 | 76.8 Ų | 76.8 | 19% | 0.185 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -98.6 | 116.5 | 173.8 | -63.3 | 148.6 | 0 | 0 | 0 | 107.6 | M472 V476 | I189-M472 HydrophobicContact CB-CE 3.47Å; I189-M472 VanDerWaalsContact CB-CE 3.47Å; I189-M472 HydrophobicContact CB-SD 3.65Å; I189-M472 HydrophobicContact CD1-SD 3.59Å; I189-M472 VanDerWaalsContact CD1-SD 3.59Å; I189-M472 HydrophobicContact CG1-SD 4.21Å; I189-M472 HydrophobicContact CG2-CE 3.86Å; I189-M472 HydrophobicContact CG2-SD 4.23Å; I189-M472 WeakPolarHBondContact O-CE 3.28Å; I189-V476 HydrophobicContact CD1-CG2 3.29Å; I189-V476 HydrophobicContact CG1-CG2 4.32Å |
| 190 | L | 80.4 | Confident | 63.3 | Low | 41 Ų | 41 | 82.5 Ų | 82.5 | 22% | 0.215 | 47% | 0.467 | C | S | . | . | trans | -113.5 | 126 | 175.9 | -62.2 | 176 | 0 | 0 | 0 | 108.2 | P88 N142 R143 A144 | P88-L190 HydrophobicContact CB-CD1 4.23Å; P88-L190 HydrophobicContact CG-CD1 4.38Å; N142-L190 PolarHBondContact OD1-N 3.04Å; N142-L190 PolarHBondContact OD1-O 3.12Å; R143-L190 HydrophobicContact CB-CB 3.9Å; R143-L190 WeakPolarHBondContact CB-O 3.36Å; R143-L190 PolarHBondContact N-O 2.83Å; A144-L190 HydrophobicContact CB-CB 4.31Å; A144-L190 HydrophobicContact CB-CD1 3.9Å; A144-L190 HydrophobicContact CB-CG 4Å | ||
| 191 | P | 77.9 | Confident | 60.6 | Low | 45 Ų | 45 | 87.9 Ų | 87.9 | 29% | 0.292 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 152.7 | 174.5 | -18.1 | 28.5 | 0 | 0 | 0 | 112.3 | R143 S473 T474 | R143-P191 WeakPolarHBondContact CB-O 3.27Å; R143-P191 VanDerWaalsContact CD-O 3.25Å; R143-P191 WeakPolarHBondContact CD-O 3.35Å; P191-S473 WeakPolarHBondContact CG-OG 3.25Å; P191-T474 HydrophobicContact CB-CG2 3.51Å; P191-T474 HydrophobicContact CG-CG2 3.71Å |
| 192 | W | 82.5 | Confident | 58.1 | Low | 65 Ų | 65 | 90.9 Ų | 90.9 | 25% | 0.246 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 136.5 | 158 | -71 | 101.2 | 0 | 0 | 0 | 109.5 | H93 K95 T139 T140 R143 I194 | H93-W192 HydrophobicContact CB-CH2 3.58Å; H93-W192 HydrophobicContact CB-CZ3 4.16Å; H93-W192 AromaticContact CG-CH2 3.58Å; H93-W192 AromaticContact ND1-CH2 3.5Å; K95-W192 HydrophobicContact CD-CH2 4.47Å; K95-W192 HydrophobicContact CD-CZ2 4.27Å; K95-W192 HydrophobicContact CG-CH2 3.92Å; K95-W192 HydrophobicContact CG-CZ2 3.73Å; T139-W192 PolarHBondContact O-NE1 3.15Å; T140-W192 VanDerWaalsContact O-CD1 3.32Å; T140-W192 PolarHBondContact O-NE1 2.78Å; R143-W192 HydrophobicContact CB-CD2 3.99Å; R143-W192 HydrophobicContact CB-CE3 4.36Å; R143-W192 HydrophobicContact CB-CG 4.35Å; R143-W192 HydrophobicContact CB-CZ2 4.28Å; R143-W192 HydrophobicContact CG-CD2 4.1Å; R143-W192 HydrophobicContact CG-CE3 3.94Å; R143-W192 HydrophobicContact CG-CH2 4.1Å; R143-W192 HydrophobicContact CG-CZ2 4.25Å; R143-W192 HydrophobicContact CG-CZ3 3.94Å; W192-I194 PolarHBondContact O-N 3.11Å |
| 193 | P | 72.7 | Confident | 55.7 | Low | 71 Ų | 71 | 96.1 Ų | 96.1 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 134.4 | 169.7 | 24.8 | -30.5 | 0 | 0 | 0 | 109.7 | I195 | P193-I195 PolarHBondContact O-N 3.49Š|
| 194 | I | 51.6 | Low | 53.8 | Low | 118 Ų | 118 | 100.2 Ų | 100.2 | 61% | 0.605 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 116.9 | 170.1 | -56.4 | 169.9 | 0 | 0 | 0 | 106.2 | W192 | W192-I194 PolarHBondContact O-N 3.11Š|
| 195 | I | 52.5 | Low | 52.5 | Low | 140 Ų | 140 | 105.9 Ų | 105.9 | 72% | 0.718 | 56% | 0.558 | S | S | * | * | trans | -93.3 | 108.8 | 173 | -56.9 | 172.3 | 0 | 0 | 0 | 105.3 | P193 E197 | P193-I195 PolarHBondContact O-N 3.49Å; I195-E197 PolarHBondContact O-N 3.02Å | ||
| 196 | D | 31.7 | Very low | 50.7 | Low | 121 Ų | 121 | 112 Ų | 112 | 65% | 0.647 | 59% | 0.589 | S | S | * | * | trans | -67.7 | 115.1 | 168 | -71.2 | -27.2 | 0 | 0 | 0 | 107.2 | V198 | D196-V198 PolarHBondContact O-N 2.97Š| ||
| 197 | E | 30.5 | Very low | 48.3 | Very low | 186 Ų | 186 | 114.5 Ų | 114.5 | 87% | 0.869 | 60% | 0.603 | S | S | * | * | trans | -64.2 | 94.7 | 177 | -74.2 | -177.1 | 175.2 | 0 | 0 | 109.5 | I195 S199 | I195-E197 PolarHBondContact O-N 3.02Å; E197-S199 VanDerWaalsContact C-N 3.32Å; E197-S199 PolarHBondContact O-N 2.78Å; E197-S199 VanDerWaalsContact O-N 3.09Å | ||
| 198 | V | 26.2 | Very low | 45.7 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 81% | 0.812 | 64% | 0.637 | S | S | * | * | trans | -73.1 | 96.8 | 157.8 | -175 | 0 | 0 | 0 | 0 | 106.2 | D196 | D196-V198 PolarHBondContact O-N 2.97Š| ||
| 199 | S | 27.7 | Very low | 43 | Very low | 91 Ų | 91 | 121.6 Ų | 121.6 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | trans | -45.6 | 124.3 | 169.8 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | E197 K201 | E197-S199 VanDerWaalsContact C-N 3.32Å; E197-S199 PolarHBondContact O-N 2.78Å; E197-S199 VanDerWaalsContact O-N 3.09Å; S199-K201 PolarHBondContact O-N 3.14Å | ||
| 200 | P | 27.8 | Very low | 40.5 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | trans | -68.8 | 118.9 | 174.7 | 25.1 | -25.5 | 0 | 0 | 0 | 107.6 | T202 | P200-T202 PolarHBondContact O-N 3.3Š| ||
| 201 | K | 27.6 | Very low | 38.1 | Very low | 194 Ų | 194 | 132 Ų | 132 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | -58.2 | 114.7 | 167 | -73.9 | -178 | 177.1 | 179.6 | 0 | 107.3 | S199 N203 | S199-K201 PolarHBondContact O-N 3.14Å; K201-N203 PolarHBondContact O-N 3.33Å | ||
| 202 | T | 26.5 | Very low | 35.7 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -55.5 | 105.3 | 166.9 | -9.8 | 0 | 0 | 0 | 0 | 107.7 | P200 E204 | P200-T202 PolarHBondContact O-N 3.3Å; T202-E204 PolarHBondContact O-N 3.14Å | ||
| 203 | N | 27.6 | Very low | 33.1 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -78.6 | 101.4 | 156.1 | -79.6 | -3.8 | 0 | 0 | 0 | 105.9 | K201 E205 | K201-N203 PolarHBondContact O-N 3.33Å; N203-E205 VanDerWaalsContact C-N 3.31Å; N203-E205 PolarHBondContact O-N 3Å; N203-E205 VanDerWaalsContact O-N 3.16Å | ||
| 204 | E | 28.8 | Very low | 31 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -71.2 | 93.5 | 158.8 | -69.9 | -178.6 | 173.5 | 0 | 0 | 107.2 | T202 | T202-E204 PolarHBondContact O-N 3.14Š| ||
| 205 | E | 29 | Very low | 29.7 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | trans | -88.3 | 104.6 | 157 | -77 | 179.5 | 178.7 | 0 | 0 | 106.8 | N203 | N203-E205 VanDerWaalsContact C-N 3.31Å; N203-E205 PolarHBondContact O-N 3Å; N203-E205 VanDerWaalsContact O-N 3.16Å | ||
| 206 | M | 31.4 | Very low | 28.9 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -91.6 | 117.6 | 166 | -136.3 | 167.3 | 74.8 | 0 | 0 | 107 | N208 | M206-N208 PolarHBondContact O-N 3.36Š| ||
| 207 | D | 27.2 | Very low | 28.6 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -44.1 | 132.1 | 167.8 | -75.1 | -45.9 | 0 | 0 | 0 | 111.7 | ||||
| 208 | N | 31.3 | Very low | 28.3 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | -155.3 | 127.1 | 126.6 | -91.6 | -38.2 | 0 | 0 | 0 | 109.8 | M206 | M206-N208 PolarHBondContact O-N 3.36Š| |||
| 209 | A | 30.6 | Very low | 28.5 | Very low | 76 Ų | 76 | 141 Ų | 141 | 63% | 0.628 | 77% | 0.768 | S | S | * | * | trans | -84 | 160.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 210 | D | 28.9 | Very low | 28.5 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | 65.4 | 140.8 | 154.5 | -48.6 | -27 | 0 | 0 | 0 | 116.5 | ||||
| 211 | D | 29.9 | Very low | 28.5 | Very low | 144 Ų | 144 | 141.8 Ų | 141.8 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | cis | -164.4 | 168.3 | 24.2 | -154.4 | -5.3 | 0 | 0 | 0 | 111.1 | ||||
| 212 | E | 28.1 | Very low | 28.7 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | -24.7 | 130.4 | 177.6 | -77.8 | 178.4 | 169.3 | 0 | 0 | 124.2 | ||||
| 213 | S | 26.9 | Very low | 28.7 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | 90.3 | 140.3 | 115.1 | 81.7 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 214 | K | 30.4 | Very low | 28.7 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 91.8 | 104.6 | 153.8 | -63.1 | 177.6 | -175.3 | 171.8 | 0 | 120.3 | ||||
| 215 | S | 24.2 | Very low | 28.7 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -42.7 | 170.6 | 147.8 | 59.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 216 | P | 34.2 | Very low | 28.5 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | cis | -158.7 | 162 | 35.5 | 38.7 | -13.4 | 0 | 0 | 0 | 121.4 | ||||
| 217 | V | 25 | Very low | 28.4 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | 66.9 | 132.6 | 128.4 | -179.1 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 218 | N | 24.7 | Very low | 28.5 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | 74.3 | 137.3 | 153.4 | -85.1 | -16.2 | 0 | 0 | 0 | 120 | ||||
| 219 | I | 30.6 | Very low | 28.3 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | -159.3 | 136.2 | 68.2 | -78.3 | 170.7 | 0 | 0 | 0 | 111.9 | |||||
| 220 | L | 28.1 | Very low | 28.2 | Very low | 142 Ų | 142 | 137.9 Ų | 137.9 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | trans | 27.6 | 150.9 | 140.8 | -83 | 64.4 | 0 | 0 | 0 | 121.2 | ||||
| 221 | S | 27.5 | Very low | 28 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 60% | 0.601 | 73% | 0.734 | S | S | * | * | cis | 175.4 | 170.1 | 5 | 45 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 222 | Q | 31.4 | Very low | 27.9 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | 93.4 | 105.9 | 159.4 | -61.8 | 175.2 | -9 | 0 | 0 | 116.1 | ||||
| 223 | Q | 26.4 | Very low | 27.9 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 84% | 0.836 | 73% | 0.728 | S | S | * | * | 77.9 | 139.9 | 56.1 | -80.1 | -164.4 | -21.2 | 0 | 0 | 116.6 | |||||
| 224 | T | 27.7 | Very low | 27.8 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | trans | 88.9 | 132.4 | 169.2 | 66.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 225 | S | 29.6 | Very low | 27.6 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | cis | -169.7 | 156.1 | 4.5 | 34.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 226 | D | 24.3 | Very low | 27.5 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | trans | -61.4 | 157.3 | 174.9 | -57.3 | -66.5 | 0 | 0 | 0 | 116 | ||||
| 227 | D | 30.2 | Very low | 27.1 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | -171 | 112.3 | 121.3 | -96.9 | -25.8 | 0 | 0 | 0 | 108.3 | |||||
| 228 | K | 28 | Very low | 27.1 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | 74.7 | 112.7 | 82.7 | -82.8 | -169.8 | -164 | 151.6 | 0 | 114.4 | |||||
| 229 | N | 28.2 | Very low | 27.1 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | 154.9 | 113.7 | 105.7 | -93.5 | -3.2 | 0 | 0 | 0 | 110.8 | |||||
| 230 | I | 28.5 | Very low | 26.9 | Very low | 131 Ų | 131 | 139.2 Ų | 139.2 | 67% | 0.672 | 73% | 0.726 | S | S | * | * | 91.8 | 101.1 | 86 | -80.2 | 178.4 | 0 | 0 | 0 | 108.1 | |||||
| 231 | S | 25.3 | Very low | 26.7 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 57% | 0.566 | 73% | 0.732 | S | S | * | * | 86.2 | 146.2 | 87.1 | 101.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 232 | E | 27.5 | Very low | 26.8 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 74% | 0.738 | 74% | 0.739 | S | S | * | * | cis | 173.7 | 166.3 | 23.2 | -118.3 | 157.7 | -173 | 0 | 0 | 103.1 | ||||
| 233 | E | 27.6 | Very low | 26.6 | Very low | 141 Ų | 141 | 142.6 Ų | 142.6 | 66% | 0.659 | 74% | 0.736 | S | S | * | * | cis | 173.9 | 139.5 | 42.5 | -125.1 | 178.7 | 171.9 | 0 | 0 | 107.4 | ||||
| 234 | L | 25.3 | Very low | 26.9 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | trans | 81.2 | 143 | 134 | -54.3 | 158.3 | 0 | 0 | 0 | 120 | ||||
| 235 | D | 24.5 | Very low | 27.1 | Very low | 127 Ų | 127 | 141.5 Ų | 141.5 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | cis | -163.6 | 146.4 | -0.1 | -122.2 | -13.2 | 0 | 0 | 0 | 110.1 | ||||
| 236 | D | 23.5 | Very low | 27 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | 40.7 | 122.7 | 135.2 | -115.2 | -4.7 | 0 | 0 | 0 | 122.9 | ||||
| 237 | L | 25.9 | Very low | 27.5 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | 167.7 | 120.7 | 112.1 | -86.2 | 162 | 0 | 0 | 0 | 113.5 | |||||
| 238 | H | 24.7 | Very low | 28.2 | Very low | 153 Ų | 153 | 142 Ų | 142 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | trans | 70.9 | 123.7 | 139.4 | -73 | -11.5 | 0 | 0 | 0 | 124.1 | ||||
| 239 | L | 24.1 | Very low | 29.9 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | 64.3 | 116.9 | 135.6 | -64 | 162.7 | 0 | 0 | 0 | 118.9 | ||||
| 240 | E | 25.8 | Very low | 32.5 | Very low | 194 Ų | 194 | 137.8 Ų | 137.8 | 91% | 0.907 | 71% | 0.714 | S | S | * | * | -176 | 139.9 | 113.5 | -97.7 | 178.1 | -167.7 | 0 | 0 | 111.9 | |||||
| 241 | E | 24.4 | Very low | 35.3 | Very low | 185 Ų | 185 | 133 Ų | 133 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | trans | -76 | -166.5 | 167.4 | -62.1 | -176.4 | 135.3 | 0 | 0 | 111.3 | ||||
| 242 | P | 29.1 | Very low | 38.3 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 67% | 0.671 | S | S | * | * | -92 | 140.3 | -112.3 | 27.9 | -7 | 0 | 0 | 0 | 113.9 | E244 | P242-E244 PolarHBondContact O-N 3.35Š| |||
| 243 | F | 28.8 | Very low | 41.1 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | trans | -82.4 | 87.9 | 176.9 | -161.1 | -98.5 | 0 | 0 | 0 | 111.3 | L245 | F243-L245 HydrophobicContact CD1-CB 3.83Å; F243-L245 HydrophobicContact CD1-CD1 3.6Å; F243-L245 HydrophobicContact CD1-CG 4.2Å; F243-L245 HydrophobicContact CD2-CD1 3.28Å; F243-L245 HydrophobicContact CD2-CG 4.5Å; F243-L245 HydrophobicContact CE1-CB 3.37Å; F243-L245 HydrophobicContact CE1-CD1 3.4Å; F243-L245 HydrophobicContact CE1-CD2 3.87Å; F243-L245 HydrophobicContact CE1-CG 3.65Å; F243-L245 HydrophobicContact CE2-CD1 3.07Å; F243-L245 HydrophobicContact CE2-CD2 4Å; F243-L245 HydrophobicContact CE2-CG 4Å; F243-L245 HydrophobicContact CG-CD1 3.57Å; F243-L245 HydrophobicContact CZ-CB 3.83Å; F243-L245 HydrophobicContact CZ-CD1 3.14Å; F243-L245 HydrophobicContact CZ-CD2 3.38Å; F243-L245 HydrophobicContact CZ-CG 3.55Å | ||
| 244 | E | 32.6 | Very low | 43.9 | Very low | 190 Ų | 190 | 121.7 Ų | 121.7 | 89% | 0.888 | 63% | 0.628 | S | S | * | * | trans | -87 | 109.1 | 160.7 | -146 | 176.9 | -137.2 | 0 | 0 | 107.5 | P242 | P242-E244 PolarHBondContact O-N 3.35Š| ||
| 245 | L | 31.2 | Very low | 47.1 | Very low | 99 Ų | 99 | 115.9 Ų | 115.9 | 52% | 0.518 | 60% | 0.598 | S | S | . | * | trans | -139.1 | 122.1 | 175.9 | -98.5 | 91.4 | 0 | 0 | 0 | 114.3 | F243 | F243-L245 HydrophobicContact CD1-CB 3.83Å; F243-L245 HydrophobicContact CD1-CD1 3.6Å; F243-L245 HydrophobicContact CD1-CG 4.2Å; F243-L245 HydrophobicContact CD2-CD1 3.28Å; F243-L245 HydrophobicContact CD2-CG 4.5Å; F243-L245 HydrophobicContact CE1-CB 3.37Å; F243-L245 HydrophobicContact CE1-CD1 3.4Å; F243-L245 HydrophobicContact CE1-CD2 3.87Å; F243-L245 HydrophobicContact CE1-CG 3.65Å; F243-L245 HydrophobicContact CE2-CD1 3.07Å; F243-L245 HydrophobicContact CE2-CD2 4Å; F243-L245 HydrophobicContact CE2-CG 4Å; F243-L245 HydrophobicContact CG-CD1 3.57Å; F243-L245 HydrophobicContact CZ-CB 3.83Å; F243-L245 HydrophobicContact CZ-CD1 3.14Å; F243-L245 HydrophobicContact CZ-CD2 3.38Å; F243-L245 HydrophobicContact CZ-CG 3.55Å | ||
| 246 | Q | 28.1 | Very low | 50.4 | Low | 161 Ų | 161 | 112.2 Ų | 112.2 | 75% | 0.752 | 58% | 0.575 | S | S | * | * | trans | 39.3 | 139.8 | 135.4 | -59.2 | -167.9 | -14.6 | 0 | 0 | 119 | S248 | Q246-S248 PolarHBondContact O-N 3.14Š| ||
| 247 | P | 34.1 | Very low | 53.4 | Low | 129 Ų | 129 | 110.1 Ų | 110.1 | 84% | 0.838 | 56% | 0.561 | S | S | * | * | trans | -59 | 110.3 | 177.8 | 26.4 | -32 | 0 | 0 | 0 | 108.9 | L249 | P247-L249 PolarHBondContact O-N 2.89Š| ||
| 248 | S | 45.8 | Very low | 56.4 | Low | 113 Ų | 113 | 103.9 Ų | 103.9 | 79% | 0.79 | 53% | 0.528 | S | S | * | . | trans | -63.7 | 124.8 | -172.4 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | Q246 D250 | Q246-S248 PolarHBondContact O-N 3.14Å; S248-D250 PolarHBondContact O-N 3.38Å; S248-D250 VanDerWaalsContact O-N 3.1Å | ||
| 249 | L | 62.4 | Low | 59.8 | Low | 111 Ų | 111 | 96.6 Ų | 96.6 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | trans | -62.5 | 112.8 | 170.2 | -166.6 | 77.5 | 0 | 0 | 0 | 107.6 | P247 L251 I254 V291 | P247-L249 PolarHBondContact O-N 2.89Å; L249-L251 HydrophobicContact CD2-CD2 4.32Å; L249-L251 PolarHBondContact O-N 2.64Å; L249-I254 HydrophobicContact CD1-CD1 4.13Å; L249-I254 HydrophobicContact CD2-CD1 3.64Å; L249-I254 HydrophobicContact CG-CD1 3.69Å; L249-V291 HydrophobicContact CD2-CG1 4.09Å; L249-V291 HydrophobicContact CD2-CG2 4.16Å | ||
| 250 | D | 83.4 | Confident | 62.9 | Low | 89 Ų | 89 | 90.3 Ų | 90.3 | 48% | 0.476 | 46% | 0.462 | S | S | . | . | trans | -71.1 | 91.4 | -178.5 | -174.2 | -8.4 | 0 | 0 | 0 | 110.5 | S248 D252 K253 I254 | S248-D250 PolarHBondContact O-N 3.38Å; S248-D250 VanDerWaalsContact O-N 3.1Å; D250-D252 PolarHBondContact O-N 3.22Å; D250-D252 WeakPolarHBondContact OD1-CB 3.47Å; D250-D252 PolarHBondContact OD1-N 2.78Å; D250-D252 VanDerWaalsContact OD1-N 3.09Å; D250-K253 HydrophobicContact CB-CB 4.05Å; D250-K253 PolarHBondContact O-N 3.04Å; D250-K253 PolarHBondContact OD1-N 2.76Å; D250-I254 PolarHBondContact O-N 3.42Å; D250-I254 VanDerWaalsContact O-N 3.16Å | ||
| 251 | L | 87.6 | Confident | 65.9 | Low | 30 Ų | 30 | 83.7 Ų | 83.7 | 16% | 0.157 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.5 | -27.4 | -179.9 | -67.1 | 176.7 | 0 | 0 | 0 | 112.4 | L249 L255 V291 L293 K297 T298 | L249-L251 HydrophobicContact CD2-CD2 4.32Å; L249-L251 PolarHBondContact O-N 2.64Å; L251-L255 VanDerWaalsContact O-CB 3.28Å; L251-L255 WeakPolarHBondContact O-CB 3.31Å; L251-L255 PolarHBondContact O-N 2.67Å; L251-V291 HydrophobicContact CD2-CG1 4.44Å; L251-L293 HydrophobicContact CB-CD1 4.45Å; L251-L293 HydrophobicContact CD2-CD1 4.21Å; L251-K297 HydrophobicContact CD1-CB 3.4Å; L251-K297 HydrophobicContact CD1-CD 4.18Å; L251-K297 HydrophobicContact CD1-CG 4.43Å; L251-T298 HydrophobicContact CB-CG2 4.15Å |
| 252 | D | 87.9 | Confident | 69.1 | Low | 34 Ų | 34 | 74.9 Ų | 74.9 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 176.8 | -66.2 | -14.1 | 0 | 0 | 0 | 109.8 | D250 L255 R256 T298 K299 | D250-D252 PolarHBondContact O-N 3.22Å; D250-D252 WeakPolarHBondContact OD1-CB 3.47Å; D250-D252 PolarHBondContact OD1-N 2.78Å; D250-D252 VanDerWaalsContact OD1-N 3.09Å; D252-L255 PolarHBondContact O-N 3.5Å; D252-R256 WeakPolarHBondContact O-CB 3.44Å; D252-R256 PolarHBondContact O-N 3.02Å; D252-T298 WeakPolarHBondContact OD1-CA 3.43Å; D252-T298 WeakPolarHBondContact OD1-CB 3.48Å; D252-K299 PolarHBondContact OD1-N 3.48Å; D252-K299 WeakPolarHBondContact OD2-CB 3.37Å; D252-K299 WeakPolarHBondContact OD2-CD 3.44Å; D252-K299 WeakPolarHBondContact OD2-CE 3.24Å; D252-K299 WeakPolarHBondContact OD2-CG 3.41Å; D252-K299 IonicContact OD2-NZ 3.1Å |
| 253 | K | 87.1 | Confident | 72.2 | Confident | 78 Ų | 78 | 69.5 Ų | 69.5 | 34% | 0.339 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.3 | -174.8 | 175.8 | 179.6 | 175.1 | 0 | 112.1 | D250 L255 R256 E257 | D250-K253 HydrophobicContact CB-CB 4.05Å; D250-K253 PolarHBondContact O-N 3.04Å; D250-K253 PolarHBondContact OD1-N 2.76Å; K253-L255 VanDerWaalsContact C-N 3.34Å; K253-L255 PolarHBondContact O-N 3.36Å; K253-R256 PolarHBondContact O-N 3.34Å; K253-E257 WeakPolarHBondContact O-CG 3.29Å; K253-E257 PolarHBondContact O-N 3.29Å |
| 254 | I | 86.3 | Confident | 74.9 | Confident | 31 Ų | 31 | 64 Ų | 64 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.6 | -64.1 | 175.6 | 0 | 0 | 0 | 110.8 | L249 D250 R256 E257 C258 V291 L293 | L249-I254 HydrophobicContact CD1-CD1 4.13Å; L249-I254 HydrophobicContact CD2-CD1 3.64Å; L249-I254 HydrophobicContact CG-CD1 3.69Å; D250-I254 PolarHBondContact O-N 3.42Å; D250-I254 VanDerWaalsContact O-N 3.16Å; I254-R256 VanDerWaalsContact C-N 3.3Å; I254-R256 PolarHBondContact O-N 3.15Å; I254-E257 PolarHBondContact O-N 2.95Å; I254-C258 WeakPolarHBondContact O-CB 3.36Å; I254-C258 PolarHBondContact O-N 3.14Å; I254-C258 PolarHBondContact O-SG 2.73Å; I254-V291 HydrophobicContact CD1-CG1 3.97Å; I254-V291 HydrophobicContact CD1-CG2 4.41Å; I254-V291 HydrophobicContact CG2-CG1 4.37Å; I254-L293 HydrophobicContact CB-CD1 4.31Å; I254-L293 HydrophobicContact CG2-CD1 4.07Å; I254-L293 HydrophobicContact CG2-CD2 4.42Å |
| 255 | L | 92.7 | Very high | 77.4 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.9 | -46 | 175.5 | 172.4 | 60.8 | 0 | 0 | 0 | 110.9 | L251 D252 K253 C258 F259 Y279 V283 L293 I295 T298 F300 F306 | L251-L255 VanDerWaalsContact O-CB 3.28Å; L251-L255 WeakPolarHBondContact O-CB 3.31Å; L251-L255 PolarHBondContact O-N 2.67Å; D252-L255 PolarHBondContact O-N 3.5Å; K253-L255 VanDerWaalsContact C-N 3.34Å; K253-L255 PolarHBondContact O-N 3.36Å; L255-C258 PolarHBondContact O-N 3.21Å; L255-F259 WeakPolarHBondContact O-CB 3.46Å; L255-F259 PolarHBondContact O-N 3.1Å; L255-Y279 HydrophobicContact CD1-CE2 3.74Å; L255-V283 HydrophobicContact CD1-CG1 4.01Å; L255-L293 HydrophobicContact CB-CD1 4.17Å; L255-L293 HydrophobicContact CB-CD2 4.45Å; L255-L293 HydrophobicContact CD1-CD2 4.28Å; L255-I295 HydrophobicContact CD2-CD1 3.39Å; L255-T298 HydrophobicContact CD2-CG2 4.06Å; L255-F300 HydrophobicContact CD2-CD2 4.06Å; L255-F300 HydrophobicContact CD2-CE2 4.36Å; L255-F306 HydrophobicContact CD1-CE1 4.21Å; L255-F306 HydrophobicContact CD1-CZ 4.44Å; L255-F306 HydrophobicContact CD2-CD1 4.19Å; L255-F306 HydrophobicContact CD2-CD2 3.86Å; L255-F306 HydrophobicContact CD2-CE1 4.34Å; L255-F306 HydrophobicContact CD2-CE2 4.02Å; L255-F306 HydrophobicContact CD2-CG 3.94Å; L255-F306 HydrophobicContact CD2-CZ 4.25Å; L255-F306 HydrophobicContact CG-CD2 4.46Å; L255-F306 HydrophobicContact CG-CE1 4.19Å; L255-F306 HydrophobicContact CG-CE2 4.13Å; L255-F306 HydrophobicContact CG-CZ 3.99Å |
| 256 | R | 92.4 | Very high | 80 | Confident | 51 Ų | 51 | 52.7 Ų | 52.7 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 180 | -161.8 | 159.5 | -171.5 | -96.3 | -4.4 | 111.7 | D252 K253 I254 C258 F259 L260 E313 E337 | D252-R256 WeakPolarHBondContact O-CB 3.44Å; D252-R256 PolarHBondContact O-N 3.02Å; K253-R256 PolarHBondContact O-N 3.34Å; I254-R256 VanDerWaalsContact C-N 3.3Å; I254-R256 PolarHBondContact O-N 3.15Å; R256-C258 VanDerWaalsContact C-N 3.35Å; R256-C258 PolarHBondContact O-N 3.19Å; R256-F259 WeakPolarHBondContact O-CB 3.45Å; R256-F259 PolarHBondContact O-N 2.88Å; R256-L260 VanDerWaalsContact O-CG 3.32Å; R256-L260 WeakPolarHBondContact O-CG 3.38Å; R256-L260 PolarHBondContact O-N 2.7Å; R256-E313 IonicContact CZ-OE2 2.79Å; R256-E313 IonicContact NE-OE2 3.95Å; R256-E313 IonicContact NH2-OE2 3.67Å; R256-E313 PolarHBondContact NH2-OE2 2.87Å; R256-E337 IonicContact CZ-OE1 2.68Å; R256-E337 IonicContact CZ-OE2 3.03Å; R256-E337 IonicContact NH1-OE1 3.65Å; R256-E337 IonicContact NH1-OE2 3.54Å; R256-E337 PolarHBondContact NH1-OE2 3.32Å; R256-E337 IonicContact NH2-OE1 3.56Å; R256-E337 PolarHBondContact NH2-OE1 3.26Å; R256-E337 IonicContact NH2-OE2 2.6Å; R256-E337 PolarHBondContact NH2-OE2 2.98Å |
| 257 | E | 87.2 | Confident | 82.8 | Confident | 87 Ų | 87 | 51.7 Ų | 51.7 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 174.3 | -74.3 | -177 | -171.3 | 0 | 0 | 112.6 | K253 I254 F259 L260 K261 | K253-E257 WeakPolarHBondContact O-CG 3.29Å; K253-E257 PolarHBondContact O-N 3.29Å; I254-E257 PolarHBondContact O-N 2.95Å; E257-F259 VanDerWaalsContact C-N 3.32Å; E257-F259 PolarHBondContact O-N 3.47Å; E257-L260 PolarHBondContact O-N 2.79Å; E257-K261 WeakPolarHBondContact O-CG 3.22Å; E257-K261 PolarHBondContact O-N 3.19Å; E257-K261 VanDerWaalsContact O-N 3.17Å |
| 258 | C | 89.6 | Confident | 85.2 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.027 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.9 | -68 | 0 | 0 | 0 | 0 | 111.6 | I254 L255 R256 K261 G262 V283 H286 | I254-C258 WeakPolarHBondContact O-CB 3.36Å; I254-C258 PolarHBondContact O-N 3.14Å; I254-C258 PolarHBondContact O-SG 2.73Å; L255-C258 PolarHBondContact O-N 3.21Å; R256-C258 VanDerWaalsContact C-N 3.35Å; R256-C258 PolarHBondContact O-N 3.19Å; C258-K261 PolarHBondContact O-N 2.8Å; C258-G262 PolarHBondContact O-N 3.46Å; C258-V283 HydrophobicContact CB-CG1 3.85Å; C258-V283 WeakPolarHBondContact CB-O 3.19Å; C258-H286 HydrophobicContact CB-CB 4.02Å; C258-H286 PolarHBondContact O-CD2 3.37Å; C258-H286 VanDerWaalsContact SG-C 3.58Å |
| 259 | F | 94.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -48 | 177.7 | 167.7 | -105.1 | 0 | 0 | 0 | 111.9 | L255 R256 E257 K261 G262 L263 F278 V283 F306 L307 M310 F315 V316 | L255-F259 WeakPolarHBondContact O-CB 3.46Å; L255-F259 PolarHBondContact O-N 3.1Å; R256-F259 WeakPolarHBondContact O-CB 3.45Å; R256-F259 PolarHBondContact O-N 2.88Å; E257-F259 VanDerWaalsContact C-N 3.32Å; E257-F259 PolarHBondContact O-N 3.47Å; F259-K261 VanDerWaalsContact C-N 3.31Å; F259-K261 PolarHBondContact O-N 3.48Å; F259-G262 PolarHBondContact O-N 2.96Å; F259-G262 VanDerWaalsContact O-N 3.12Å; F259-L263 HydrophobicContact CD1-CD1 4.19Å; F259-L263 HydrophobicContact CD1-CG 4.49Å; F259-L263 HydrophobicContact CD2-CG 4.29Å; F259-L263 HydrophobicContact CE1-CD1 3.52Å; F259-L263 HydrophobicContact CE1-CG 4.13Å; F259-L263 HydrophobicContact CE2-CD1 4.08Å; F259-L263 HydrophobicContact CE2-CD2 3.85Å; F259-L263 HydrophobicContact CE2-CG 3.91Å; F259-L263 HydrophobicContact CZ-CD1 3.46Å; F259-L263 VanDerWaalsContact CZ-CD1 3.46Å; F259-L263 HydrophobicContact CZ-CD2 4Å; F259-L263 HydrophobicContact CZ-CG 3.84Å; F259-L263 WeakPolarHBondContact O-CG 3.33Å; F259-L263 PolarHBondContact O-N 3.08Å; F259-F278 AromaticContact CD2-CE1 3.69Å; F259-F278 HydrophobicContact CD2-CE1 3.69Å; F259-F278 AromaticContact CD2-CZ 3.64Å; F259-F278 HydrophobicContact CD2-CZ 3.64Å; F259-F278 AromaticContact CE2-CE1 3.64Å; F259-F278 HydrophobicContact CE2-CE1 3.64Å; F259-F278 AromaticContact CE2-CZ 3.68Å; F259-F278 HydrophobicContact CE2-CZ 3.68Å; F259-V283 HydrophobicContact CB-CG1 4.32Å; F259-V283 HydrophobicContact CD2-CG2 4.33Å; F259-F306 HydrophobicContact CB-CE1 3.92Å; F259-F306 HydrophobicContact CB-CZ 3.63Å; F259-F306 AromaticContact CD1-CZ 3.98Å; F259-F306 HydrophobicContact CD1-CZ 3.98Å; F259-F306 AromaticContact CD2-CE1 3.7Å; F259-F306 HydrophobicContact CD2-CE1 3.7Å; F259-F306 AromaticContact CD2-CZ 3.96Å; F259-F306 HydrophobicContact CD2-CZ 3.96Å; F259-F306 HydrophobicContact CE2-CE1 4.33Å; F259-F306 AromaticContact CG-CE1 3.82Å; F259-F306 HydrophobicContact CG-CE1 3.82Å; F259-F306 AromaticContact CG-CZ 3.59Å; F259-F306 HydrophobicContact CG-CZ 3.59Å; F259-L307 HydrophobicContact CD2-CD2 4.1Å; F259-L307 HydrophobicContact CE2-CD2 3.58Å; F259-L307 HydrophobicContact CZ-CD2 4.36Å; F259-M310 HydrophobicContact CD1-CG 4.17Å; F259-M310 HydrophobicContact CD1-SD 3.93Å; F259-M310 HydrophobicContact CE1-CB 3.97Å; F259-M310 HydrophobicContact CE1-CG 3.63Å; F259-M310 HydrophobicContact CE1-SD 3.65Å; F259-M310 HydrophobicContact CE2-CG 4.32Å; F259-M310 HydrophobicContact CZ-CB 3.73Å; F259-M310 HydrophobicContact CZ-CG 3.7Å; F259-M310 HydrophobicContact CZ-SD 4.35Å; F259-F315 HydrophobicContact CE1-CB 4.06Å; F259-F315 HydrophobicContact CE1-CD1 4.09Å; F259-F315 HydrophobicContact CE1-CD2 4.48Å; F259-F315 AromaticContact CE1-CG 3.97Å; F259-F315 HydrophobicContact CE1-CG 3.97Å; F259-F315 HydrophobicContact CZ-CB 4.07Å; F259-F315 HydrophobicContact CZ-CG 4.48Å; F259-V316 HydrophobicContact CE2-CG1 4.39Å; F259-V316 HydrophobicContact CZ-CG1 3.99Å |
| 260 | L | 91 | Very high | 88.5 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.089 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.8 | -42.2 | 177.7 | -66.8 | 175.3 | 0 | 0 | 0 | 111.9 | R256 E257 L263 K264 F315 E337 L338 V341 | R256-L260 VanDerWaalsContact O-CG 3.32Å; R256-L260 WeakPolarHBondContact O-CG 3.38Å; R256-L260 PolarHBondContact O-N 2.7Å; E257-L260 PolarHBondContact O-N 2.79Å; L260-L263 PolarHBondContact O-N 2.93Å; L260-K264 PolarHBondContact O-N 3.23Å; L260-F315 HydrophobicContact CD2-CD1 4.07Å; L260-F315 HydrophobicContact CD2-CE1 3.31Å; L260-F315 HydrophobicContact CD2-CZ 3.95Å; L260-E337 HydrophobicContact CD2-CB 4.26Å; L260-L338 HydrophobicContact CB-CD2 4.15Å; L260-L338 HydrophobicContact CD2-CD2 3.78Å; L260-L338 HydrophobicContact CD2-CG 4.34Å; L260-L338 WeakPolarHBondContact O-CD2 3.4Å; L260-V341 HydrophobicContact CB-CG1 4.22Å; L260-V341 HydrophobicContact CB-CG2 4.14Å; L260-V341 HydrophobicContact CD1-CG2 4.4Å |
| 261 | K | 88.5 | Confident | 88.9 | Confident | 56 Ų | 56 | 48.5 Ų | 48.5 | 24% | 0.243 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.3 | -43.4 | 174.7 | -71.4 | 171.6 | 179.4 | 167.8 | 0 | 111.7 | E257 C258 F259 L263 K264 L265 H286 V341 V343 | E257-K261 WeakPolarHBondContact O-CG 3.22Å; E257-K261 PolarHBondContact O-N 3.19Å; E257-K261 VanDerWaalsContact O-N 3.17Å; C258-K261 PolarHBondContact O-N 2.8Å; F259-K261 VanDerWaalsContact C-N 3.31Å; F259-K261 PolarHBondContact O-N 3.48Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-L263 PolarHBondContact O-N 2.84Å; K261-K264 WeakPolarHBondContact O-CB 3.48Å; K261-K264 PolarHBondContact O-N 3.3Å; K261-K264 VanDerWaalsContact O-N 3.12Å; K261-L265 PolarHBondContact O-N 2.78Å; K261-H286 HydrophobicContact CB-CB 4.28Å; K261-H286 WeakPolarHBondContact CB-CD2 3.13Å; K261-H286 HydrophobicContact CD-CB 4.05Å; K261-V341 HydrophobicContact CB-CG1 4.49Å; K261-V341 HydrophobicContact CG-CG1 3.81Å; K261-V343 HydrophobicContact CB-CG2 4.2Å |
| 262 | G | 91.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C258 F259 K264 L265 Y282 H286 | C258-G262 PolarHBondContact O-N 3.46Å; F259-G262 PolarHBondContact O-N 2.96Å; F259-G262 VanDerWaalsContact O-N 3.12Å; G262-K264 VanDerWaalsContact C-N 3.28Å; G262-K264 PolarHBondContact O-N 3.13Å; G262-L265 PolarHBondContact O-N 2.85Å; G262-Y282 WeakPolarHBondContact CA-O 3.46Å; G262-H286 PolarHBondContact N-CD2 3.44Å; G262-H286 PolarHBondContact N-NE2 2.93Å |
| 263 | L | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -37.3 | 174.5 | -72.5 | -172.2 | 0 | 0 | 0 | 111.9 | F259 L260 K261 L265 F278 F315 V316 I331 K333 L338 | F259-L263 HydrophobicContact CD1-CD1 4.19Å; F259-L263 HydrophobicContact CD1-CG 4.49Å; F259-L263 HydrophobicContact CD2-CG 4.29Å; F259-L263 HydrophobicContact CE1-CD1 3.52Å; F259-L263 HydrophobicContact CE1-CG 4.13Å; F259-L263 HydrophobicContact CE2-CD1 4.08Å; F259-L263 HydrophobicContact CE2-CD2 3.85Å; F259-L263 HydrophobicContact CE2-CG 3.91Å; F259-L263 HydrophobicContact CZ-CD1 3.46Å; F259-L263 VanDerWaalsContact CZ-CD1 3.46Å; F259-L263 HydrophobicContact CZ-CD2 4Å; F259-L263 HydrophobicContact CZ-CG 3.84Å; F259-L263 WeakPolarHBondContact O-CG 3.33Å; F259-L263 PolarHBondContact O-N 3.08Å; L260-L263 PolarHBondContact O-N 2.93Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-L263 PolarHBondContact O-N 2.84Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 2.93Å; L263-F278 HydrophobicContact CD2-CE2 4.12Å; L263-F278 HydrophobicContact CD2-CZ 3.72Å; L263-F278 HydrophobicContact CG-CZ 4.39Å; L263-F315 HydrophobicContact CD1-CB 4.23Å; L263-F315 HydrophobicContact CD1-CD1 3.97Å; L263-V316 HydrophobicContact CD1-CG1 4.4Å; L263-V316 HydrophobicContact CD2-CG1 3.8Å; L263-I331 HydrophobicContact CB-CG2 4.36Å; L263-I331 HydrophobicContact CD1-CG2 4.39Å; L263-I331 HydrophobicContact CD2-CD1 3.91Å; L263-I331 HydrophobicContact CD2-CG1 3.98Å; L263-I331 HydrophobicContact CD2-CG2 3.91Å; L263-I331 HydrophobicContact CG-CG2 4.46Å; L263-K333 PolarHBondContact O-NZ 3.15Å; L263-L338 HydrophobicContact CB-CD1 4.42Å; L263-L338 HydrophobicContact CB-CD2 3.87Å; L263-L338 HydrophobicContact CD1-CD1 4.21Å; L263-L338 HydrophobicContact CD1-CD2 4.09Å |
| 264 | K | 86.6 | Confident | 89.7 | Confident | 63 Ų | 63 | 50.3 Ų | 50.3 | 27% | 0.274 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.6 | -35.5 | 177.8 | -80.6 | -76.4 | -170.4 | -179 | 0 | 112.7 | L260 K261 G262 K333 L338 V341 V343 E395 | L260-K264 PolarHBondContact O-N 3.23Å; K261-K264 WeakPolarHBondContact O-CB 3.48Å; K261-K264 PolarHBondContact O-N 3.3Å; K261-K264 VanDerWaalsContact O-N 3.12Å; G262-K264 VanDerWaalsContact C-N 3.28Å; G262-K264 PolarHBondContact O-N 3.13Å; K264-K333 PolarHBondContact O-NZ 3.48Å; K264-L338 WeakPolarHBondContact CE-O 3.46Å; K264-L338 PolarHBondContact NZ-O 3.35Å; K264-L338 VanDerWaalsContact NZ-O 3.08Å; K264-V341 HydrophobicContact CG-CB 4.37Å; K264-V341 HydrophobicContact CG-CG1 4.26Å; K264-V343 HydrophobicContact CB-CG2 3.83Å; K264-E395 IonicContact NZ-OE1 3.35Å; K264-E395 PolarHBondContact NZ-OE1 2.98Å; K264-E395 VanDerWaalsContact NZ-OE1 3.1Å |
| 265 | L | 83.9 | Confident | 90 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -70.5 | -31.4 | -176.8 | -75.3 | 179.6 | 0 | 0 | 0 | 114.2 | K261 G262 L263 K267 Y282 H286 V343 I347 T348 | K261-L265 PolarHBondContact O-N 2.78Å; G262-L265 PolarHBondContact O-N 2.85Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 2.93Å; L265-K267 PolarHBondContact O-N 2.97Å; L265-Y282 HydrophobicContact CB-CD1 4.03Å; L265-H286 WeakPolarHBondContact CD1-NE2 3.46Å; L265-V343 HydrophobicContact CD1-CG1 4.11Å; L265-V343 HydrophobicContact CD2-CB 4.35Å; L265-V343 HydrophobicContact CD2-CG1 3.78Å; L265-V343 HydrophobicContact CG-CG1 3.96Å; L265-V343 HydrophobicContact CG-CG2 4.34Å; L265-I347 HydrophobicContact CD1-CG2 4.49Å; L265-T348 HydrophobicContact CD2-CG2 3.7Å |
| 266 | I | 87.3 | Confident | 89.8 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | trans | -75 | 128.3 | -173.3 | -67.7 | 167.3 | 0 | 0 | 0 | 111.1 | Q270 L271 F278 Y282 I331 K333 | I266-Q270 HydrophobicContact CG2-CB 4.36Å; I266-L271 HydrophobicContact CG2-CD2 4.09Å; I266-L271 HydrophobicContact CG2-CG 4.41Å; I266-F278 HydrophobicContact CD1-CD2 3.17Å; I266-F278 HydrophobicContact CD1-CE2 3.27Å; I266-F278 HydrophobicContact CD1-CG 4.39Å; I266-Y282 HydrophobicContact CD1-CD1 3.95Å; I266-Y282 HydrophobicContact CD1-CD2 4.13Å; I266-Y282 HydrophobicContact CD1-CE1 4.35Å; I266-Y282 HydrophobicContact CD1-CG 3.81Å; I266-Y282 HydrophobicContact CG1-CD1 3.37Å; I266-Y282 HydrophobicContact CG1-CD2 4.28Å; I266-Y282 HydrophobicContact CG1-CE1 3.49Å; I266-Y282 VanDerWaalsContact CG1-CE1 3.49Å; I266-Y282 HydrophobicContact CG1-CE2 4.38Å; I266-Y282 HydrophobicContact CG1-CG 3.78Å; I266-I331 HydrophobicContact CB-CD1 3.88Å; I266-I331 HydrophobicContact CD1-CD1 4.13Å; I266-I331 HydrophobicContact CG2-CD1 3.67Å; I266-K333 WeakPolarHBondContact O-CE 3.39Å; I266-K333 PolarHBondContact O-NZ 3.36Å | ||
| 267 | K | 85.5 | Confident | 89.6 | Confident | 141 Ų | 141 | 54.2 Ų | 54.2 | 61% | 0.613 | 27% | 0.272 | S | S | * | . | trans | -84.4 | 146.8 | 171.3 | -61.1 | 178.1 | -177.8 | 175.6 | 0 | 109.8 | L265 N269 Q270 | L265-K267 PolarHBondContact O-N 2.97Å; K267-N269 WeakPolarHBondContact CB-OD1 3.26Å; K267-N269 PolarHBondContact O-N 3.46Å; K267-Q270 HydrophobicContact CB-CG 4.21Å; K267-Q270 WeakPolarHBondContact O-CB 3.46Å; K267-Q270 PolarHBondContact O-N 3.3Å | ||
| 268 | I | 85 | Confident | 89.8 | Confident | 128 Ų | 128 | 50 Ų | 50 | 66% | 0.656 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -58 | -35.1 | -177.2 | -62.5 | 168.9 | 0 | 0 | 0 | 111.4 | Q270 L271 | I268-Q270 PolarHBondContact O-N 3.31Å; I268-L271 WeakPolarHBondContact O-CB 3.16Å; I268-L271 PolarHBondContact O-N 3.3Å; I268-L271 VanDerWaalsContact O-N 3.14Å |
| 269 | N | 88.1 | Confident | 90 | Very high | 137 Ų | 137 | 50.9 Ų | 50.9 | 73% | 0.733 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -71 | -4.7 | 177.9 | 69.9 | -28.7 | 0 | 0 | 0 | 114.8 | K267 | K267-N269 WeakPolarHBondContact CB-OD1 3.26Å; K267-N269 PolarHBondContact O-N 3.46Å |
| 270 | Q | 90.2 | Very high | 89.7 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 36% | 0.36 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -91.9 | -2.9 | 173.1 | -59.1 | 177.4 | -76.9 | 0 | 0 | 112.2 | I266 K267 I268 Y282 | I266-Q270 HydrophobicContact CG2-CB 4.36Å; K267-Q270 HydrophobicContact CB-CG 4.21Å; K267-Q270 WeakPolarHBondContact O-CB 3.46Å; K267-Q270 PolarHBondContact O-N 3.3Å; I268-Q270 PolarHBondContact O-N 3.31Å; Q270-Y282 PolarHBondContact NE2-OH 2.84Å |
| 271 | L | 91.7 | Very high | 89.6 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | trans | -91.7 | 147.2 | 175.9 | -58.1 | 176.3 | 0 | 0 | 0 | 110.5 | I266 I268 I273 L328 N329 I331 | I266-L271 HydrophobicContact CG2-CD2 4.09Å; I266-L271 HydrophobicContact CG2-CG 4.41Å; I268-L271 WeakPolarHBondContact O-CB 3.16Å; I268-L271 PolarHBondContact O-N 3.3Å; I268-L271 VanDerWaalsContact O-N 3.14Å; L271-I273 HydrophobicContact CD2-CG2 3.88Å; L271-L328 HydrophobicContact CD2-CD2 4.32Å; L271-L328 HydrophobicContact CD2-CG 4.15Å; L271-N329 WeakPolarHBondContact CB-O 3.48Å; L271-I331 HydrophobicContact CD1-CB 4.41Å; L271-I331 HydrophobicContact CD1-CD1 4.16Å; L271-I331 HydrophobicContact CD1-CG1 3.99Å; L271-I331 HydrophobicContact CD2-CD1 4.14Å; L271-I331 HydrophobicContact CD2-CG1 4.45Å | ||
| 272 | P | 93.5 | Very high | 89.6 | Confident | 84 Ų | 84 | 57.2 Ų | 57.2 | 55% | 0.545 | 29% | 0.291 | S | S | . | . | S | Bend | cis | -78.4 | 143.4 | -1.2 | 33.8 | -36.3 | 0 | 0 | 0 | 112.6 | M327 L328 N329 | P272-M327 HydrophobicContact CB-CE 3.77Å; P272-M327 HydrophobicContact CG-CE 4.08Å; P272-L328 CarbonylContact C-O 3.54Å; P272-L328 VanDerWaalsContact CA-O 3.24Å; P272-L328 WeakPolarHBondContact CA-O 3.32Å; P272-N329 VanDerWaalsContact CB-OD1 3.27Å; P272-N329 WeakPolarHBondContact CB-OD1 3.28Å |
| 273 | I | 93.2 | Very high | 89.6 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.097 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 144.6 | 179.3 | -167.9 | 171.3 | 0 | 0 | 0 | 111 | L271 I277 F278 Y282 L328 | L271-I273 HydrophobicContact CD2-CG2 3.88Å; I273-I277 HydrophobicContact CD1-CB 4.29Å; I273-I277 HydrophobicContact CD1-CG2 3.79Å; I273-I277 HydrophobicContact CG1-CB 4.16Å; I273-I277 HydrophobicContact CG1-CG2 4.13Å; I273-F278 HydrophobicContact CG2-CB 4.21Å; I273-Y282 HydrophobicContact CD1-CE2 3.74Å; I273-L328 HydrophobicContact CG2-CB 3.93Å; I273-L328 HydrophobicContact CG2-CD2 4.01Å; I273-L328 HydrophobicContact CG2-CG 4.31Å; I273-L328 PolarHBondContact N-O 2.97Å; I273-L328 PolarHBondContact O-N 3.28Å |
| 274 | Q | 91.7 | Very high | 89.3 | Confident | 78 Ų | 78 | 59.6 Ų | 59.6 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 139.5 | 174.7 | -66.6 | -176.4 | -13.6 | 0 | 0 | 111.1 | N276 I277 F278 M327 | Q274-N276 VanDerWaalsContact C-N 3.3Å; Q274-N276 WeakPolarHBondContact CB-OD1 3.31Å; Q274-N276 PolarHBondContact O-N 3.26Å; Q274-N276 PolarHBondContact OE1-OD1 3.15Å; Q274-I277 HydrophobicContact CB-CD1 4.1Å; Q274-I277 HydrophobicContact CB-CG1 4.17Å; Q274-I277 PolarHBondContact O-N 2.97Å; Q274-I277 VanDerWaalsContact O-N 3.12Å; Q274-F278 PolarHBondContact O-N 2.78Å; Q274-M327 HydrophobicContact CB-SD 4.2Å; Q274-M327 HydrophobicContact CG-CE 4.41Å; Q274-M327 HydrophobicContact CG-SD 3.49Å; Q274-M327 WeakPolarHBondContact CG-SD 3.43Å |
| 275 | V | 92.6 | Very high | 89.2 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.8 | -35.6 | -176.7 | 160.5 | 0 | 0 | 0 | 0 | 113 | F278 Y279 V303 L307 V318 L326 L328 | V275-F278 PolarHBondContact O-N 2.84Å; V275-Y279 VanDerWaalsContact O-CB 3.27Å; V275-Y279 WeakPolarHBondContact O-CB 3.45Å; V275-Y279 PolarHBondContact O-N 3.17Å; V275-V303 HydrophobicContact CG1-CG1 3.56Å; V275-L307 HydrophobicContact CB-CD1 4.04Å; V275-L307 HydrophobicContact CG1-CD1 3.44Å; V275-L307 VanDerWaalsContact CG1-CD1 3.44Å; V275-L307 HydrophobicContact CG2-CD1 3.52Å; V275-V318 HydrophobicContact CG2-CG1 3.97Å; V275-L326 HydrophobicContact CB-CB 3.84Å; V275-L326 HydrophobicContact CG1-CB 4.46Å; V275-L326 HydrophobicContact CG2-CB 3.57Å; V275-L326 WeakPolarHBondContact CG2-O 3.2Å; V275-L326 PolarHBondContact N-O 3.16Å; V275-L328 HydrophobicContact CG2-CB 4.48Å |
| 276 | N | 87.9 | Confident | 89.1 | Confident | 99 Ų | 99 | 58 Ų | 58 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.4 | 60.2 | -17.1 | 0 | 0 | 0 | 112.2 | Q274 S280 | Q274-N276 VanDerWaalsContact C-N 3.3Å; Q274-N276 WeakPolarHBondContact CB-OD1 3.31Å; Q274-N276 PolarHBondContact O-N 3.26Å; Q274-N276 PolarHBondContact OE1-OD1 3.15Å; N276-S280 WeakPolarHBondContact O-CB 2.89Å; N276-S280 PolarHBondContact O-N 2.62Å; N276-S280 PolarHBondContact O-OG 3.35Å |
| 277 | I | 89.9 | Confident | 88.8 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 29% | 0.287 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.8 | -46.5 | 176.6 | -59.4 | 176.5 | 0 | 0 | 0 | 109.1 | I273 Q274 Y279 S280 Q281 | I273-I277 HydrophobicContact CD1-CB 4.29Å; I273-I277 HydrophobicContact CD1-CG2 3.79Å; I273-I277 HydrophobicContact CG1-CB 4.16Å; I273-I277 HydrophobicContact CG1-CG2 4.13Å; Q274-I277 HydrophobicContact CB-CD1 4.1Å; Q274-I277 HydrophobicContact CB-CG1 4.17Å; Q274-I277 PolarHBondContact O-N 2.97Å; Q274-I277 VanDerWaalsContact O-N 3.12Å; I277-Y279 PolarHBondContact O-N 3.09Å; I277-S280 PolarHBondContact O-N 2.9Å; I277-S280 PolarHBondContact O-OG 2.83Å; I277-Q281 HydrophobicContact CG2-CG 4.27Å; I277-Q281 WeakPolarHBondContact O-CB 3.19Å; I277-Q281 PolarHBondContact O-N 3.27Å |
| 278 | F | 91.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -53.4 | -54.6 | 174.8 | 170.9 | -119.4 | 0 | 0 | 0 | 111.8 | F259 L263 I266 I273 Q274 V275 S280 Y282 V283 L307 L328 | F259-F278 AromaticContact CD2-CE1 3.69Å; F259-F278 HydrophobicContact CD2-CE1 3.69Å; F259-F278 AromaticContact CD2-CZ 3.64Å; F259-F278 HydrophobicContact CD2-CZ 3.64Å; F259-F278 AromaticContact CE2-CE1 3.64Å; F259-F278 HydrophobicContact CE2-CE1 3.64Å; F259-F278 AromaticContact CE2-CZ 3.68Å; F259-F278 HydrophobicContact CE2-CZ 3.68Å; L263-F278 HydrophobicContact CD2-CE2 4.12Å; L263-F278 HydrophobicContact CD2-CZ 3.72Å; L263-F278 HydrophobicContact CG-CZ 4.39Å; I266-F278 HydrophobicContact CD1-CD2 3.17Å; I266-F278 HydrophobicContact CD1-CE2 3.27Å; I266-F278 HydrophobicContact CD1-CG 4.39Å; I273-F278 HydrophobicContact CG2-CB 4.21Å; Q274-F278 PolarHBondContact O-N 2.78Å; V275-F278 PolarHBondContact O-N 2.84Å; F278-S280 PolarHBondContact O-N 2.95Å; F278-Y282 HydrophobicContact CD2-CD2 4.28Å; F278-Y282 HydrophobicContact CD2-CG 4.32Å; F278-Y282 WeakPolarHBondContact O-CA 3.45Å; F278-Y282 VanDerWaalsContact O-CB 3.31Å; F278-Y282 WeakPolarHBondContact O-CB 3.4Å; F278-Y282 PolarHBondContact O-N 3.44Å; F278-V283 HydrophobicContact CD1-CG2 4.22Å; F278-V283 HydrophobicContact CE1-CG2 3.64Å; F278-V283 HydrophobicContact CE2-CG2 4Å; F278-V283 HydrophobicContact CZ-CG2 3.54Å; F278-V283 PolarHBondContact O-N 3.14Å; F278-L307 HydrophobicContact CD1-CD1 4.1Å; F278-L307 HydrophobicContact CD1-CD2 4.41Å; F278-L307 HydrophobicContact CE1-CD1 4.43Å; F278-L307 HydrophobicContact CE1-CD2 3.94Å; F278-L328 HydrophobicContact CB-CD2 4.4Å; F278-L328 HydrophobicContact CD1-CD2 4.05Å; F278-L328 HydrophobicContact CD2-CD2 3.99Å; F278-L328 HydrophobicContact CE1-CD2 4.34Å; F278-L328 HydrophobicContact CE2-CD2 4.29Å; F278-L328 HydrophobicContact CG-CD2 3.85Å; F278-L328 HydrophobicContact CZ-CD2 4.44Å |
| 279 | Y | 92.4 | Very high | 87.5 | Confident | 22 Ų | 22 | 57.4 Ų | 57.4 | 9% | 0.086 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -62.8 | -46.6 | -175.8 | -171.1 | -101.9 | 0 | 0 | 0 | 112.2 | L255 V275 I277 V283 L284 I295 V303 | L255-Y279 HydrophobicContact CD1-CE2 3.74Å; V275-Y279 VanDerWaalsContact O-CB 3.27Å; V275-Y279 WeakPolarHBondContact O-CB 3.45Å; V275-Y279 PolarHBondContact O-N 3.17Å; I277-Y279 PolarHBondContact O-N 3.09Å; Y279-V283 HydrophobicContact CD2-CB 4.14Å; Y279-V283 HydrophobicContact CD2-CG1 4.23Å; Y279-V283 HydrophobicContact CD2-CG2 4.37Å; Y279-V283 HydrophobicContact CE2-CG1 4.17Å; Y279-V283 WeakPolarHBondContact O-CB 3.26Å; Y279-V283 PolarHBondContact O-N 3.01Å; Y279-L284 HydrophobicContact CD1-CD1 3.95Å; Y279-L284 HydrophobicContact CD1-CD2 4.47Å; Y279-L284 HydrophobicContact CD1-CG 3.97Å; Y279-L284 HydrophobicContact CE1-CD1 3.71Å; Y279-L284 HydrophobicContact CE1-CD2 3.7Å; Y279-L284 HydrophobicContact CE1-CG 3.67Å; Y279-L284 PolarHBondContact O-N 2.85Å; Y279-I295 HydrophobicContact CE2-CD1 4.44Å; Y279-V303 HydrophobicContact CD1-CG2 3.75Å; Y279-V303 HydrophobicContact CD2-CB 4.39Å; Y279-V303 HydrophobicContact CD2-CG1 3.59Å; Y279-V303 HydrophobicContact CD2-CG2 3.88Å; Y279-V303 HydrophobicContact CE1-CG2 3.77Å; Y279-V303 HydrophobicContact CE2-CG1 4.23Å; Y279-V303 HydrophobicContact CE2-CG2 3.88Å; Y279-V303 HydrophobicContact CG-CB 4.48Å; Y279-V303 HydrophobicContact CG-CG1 3.77Å; Y279-V303 HydrophobicContact CG-CG2 3.81Å |
| 280 | S | 88.5 | Confident | 86.7 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | I | π-helix | trans | -71.7 | -43.7 | -177.5 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | N276 I277 F278 | N276-S280 WeakPolarHBondContact O-CB 2.89Å; N276-S280 PolarHBondContact O-N 2.62Å; N276-S280 PolarHBondContact O-OG 3.35Å; I277-S280 PolarHBondContact O-N 2.9Å; I277-S280 PolarHBondContact O-OG 2.83Å; F278-S280 PolarHBondContact O-N 2.95Å |
| 281 | Q | 88.4 | Confident | 86.1 | Confident | 114 Ų | 114 | 53.1 Ų | 53.1 | 53% | 0.533 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -93 | -20.4 | -171.1 | -61.9 | -176.1 | -6.6 | 0 | 0 | 114.1 | I277 V285 | I277-Q281 HydrophobicContact CG2-CG 4.27Å; I277-Q281 WeakPolarHBondContact O-CB 3.19Å; I277-Q281 PolarHBondContact O-N 3.27Å; Q281-V285 WeakPolarHBondContact O-CG1 3.3Å; Q281-V285 WeakPolarHBondContact O-CG2 3.37Å |
| 282 | Y | 89.5 | Confident | 85.5 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -120.8 | -31.2 | -175.5 | -58.5 | -93.9 | 0 | 0 | 0 | 113.3 | G262 L265 I266 Q270 I273 F278 V285 H286 | G262-Y282 WeakPolarHBondContact CA-O 3.46Å; L265-Y282 HydrophobicContact CB-CD1 4.03Å; I266-Y282 HydrophobicContact CD1-CD1 3.95Å; I266-Y282 HydrophobicContact CD1-CD2 4.13Å; I266-Y282 HydrophobicContact CD1-CE1 4.35Å; I266-Y282 HydrophobicContact CD1-CG 3.81Å; I266-Y282 HydrophobicContact CG1-CD1 3.37Å; I266-Y282 HydrophobicContact CG1-CD2 4.28Å; I266-Y282 HydrophobicContact CG1-CE1 3.49Å; I266-Y282 VanDerWaalsContact CG1-CE1 3.49Å; I266-Y282 HydrophobicContact CG1-CE2 4.38Å; I266-Y282 HydrophobicContact CG1-CG 3.78Å; Q270-Y282 PolarHBondContact NE2-OH 2.84Å; I273-Y282 HydrophobicContact CD1-CE2 3.74Å; F278-Y282 HydrophobicContact CD2-CD2 4.28Å; F278-Y282 HydrophobicContact CD2-CG 4.32Å; F278-Y282 WeakPolarHBondContact O-CA 3.45Å; F278-Y282 VanDerWaalsContact O-CB 3.31Å; F278-Y282 WeakPolarHBondContact O-CB 3.4Å; F278-Y282 PolarHBondContact O-N 3.44Å; Y282-V285 WeakPolarHBondContact O-CG2 3.38Å; Y282-H286 PolarHBondContact O-CD2 3.17Å; Y282-H286 PolarHBondContact O-NE2 3.49Å |
| 283 | V | 90.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -90.6 | -59.2 | 179.9 | -178.3 | 0 | 0 | 0 | 0 | 110.8 | L255 C258 F259 F278 Y279 V285 H286 | L255-V283 HydrophobicContact CD1-CG1 4.01Å; C258-V283 HydrophobicContact CB-CG1 3.85Å; C258-V283 WeakPolarHBondContact CB-O 3.19Å; F259-V283 HydrophobicContact CB-CG1 4.32Å; F259-V283 HydrophobicContact CD2-CG2 4.33Å; F278-V283 HydrophobicContact CD1-CG2 4.22Å; F278-V283 HydrophobicContact CE1-CG2 3.64Å; F278-V283 HydrophobicContact CE2-CG2 4Å; F278-V283 HydrophobicContact CZ-CG2 3.54Å; F278-V283 PolarHBondContact O-N 3.14Å; Y279-V283 HydrophobicContact CD2-CB 4.14Å; Y279-V283 HydrophobicContact CD2-CG1 4.23Å; Y279-V283 HydrophobicContact CD2-CG2 4.37Å; Y279-V283 HydrophobicContact CE2-CG1 4.17Å; Y279-V283 WeakPolarHBondContact O-CB 3.26Å; Y279-V283 PolarHBondContact O-N 3.01Å; V283-V285 PolarHBondContact O-N 3.12Å; V283-V285 VanDerWaalsContact O-N 3.13Å; V283-H286 PolarHBondContact O-N 2.63Å; V283-H286 VanDerWaalsContact O-N 3.09Å |
| 284 | L | 86.9 | Confident | 84.7 | Confident | 49 Ų | 49 | 54.6 Ų | 54.6 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -63.6 | -24 | -173.2 | -70.1 | -176.8 | 0 | 0 | 0 | 114 | Y279 H286 K287 L293 | Y279-L284 HydrophobicContact CD1-CD1 3.95Å; Y279-L284 HydrophobicContact CD1-CD2 4.47Å; Y279-L284 HydrophobicContact CD1-CG 3.97Å; Y279-L284 HydrophobicContact CE1-CD1 3.71Å; Y279-L284 HydrophobicContact CE1-CD2 3.7Å; Y279-L284 HydrophobicContact CE1-CG 3.67Å; Y279-L284 PolarHBondContact O-N 2.85Å; L284-H286 PolarHBondContact O-N 2.93Å; L284-H286 VanDerWaalsContact O-N 3.16Å; L284-K287 VanDerWaalsContact O-CG 3.29Å; L284-K287 WeakPolarHBondContact O-CG 3.25Å; L284-K287 PolarHBondContact O-N 3.18Å; L284-L293 HydrophobicContact CD2-CD2 4.12Å |
| 285 | V | 84.7 | Confident | 84.7 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 38% | 0.382 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -64 | -16.2 | 176.9 | -60.9 | 0 | 0 | 0 | 0 | 113.4 | Q281 Y282 V283 I347 | Q281-V285 WeakPolarHBondContact O-CG1 3.3Å; Q281-V285 WeakPolarHBondContact O-CG2 3.37Å; Y282-V285 WeakPolarHBondContact O-CG2 3.38Å; V283-V285 PolarHBondContact O-N 3.12Å; V283-V285 VanDerWaalsContact O-N 3.13Å; V285-I347 HydrophobicContact CB-CG2 4.25Å; V285-I347 HydrophobicContact CG2-CG2 3.99Å |
| 286 | H | 82 | Confident | 84.5 | Confident | 17 Ų | 17 | 59 Ų | 59 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -94.5 | -4.1 | 179.8 | -66.7 | -53.3 | 0 | 0 | 0 | 114.5 | C258 K261 G262 L265 Y282 V283 L284 I347 | C258-H286 HydrophobicContact CB-CB 4.02Å; C258-H286 PolarHBondContact O-CD2 3.37Å; C258-H286 VanDerWaalsContact SG-C 3.58Å; K261-H286 HydrophobicContact CB-CB 4.28Å; K261-H286 WeakPolarHBondContact CB-CD2 3.13Å; K261-H286 HydrophobicContact CD-CB 4.05Å; G262-H286 PolarHBondContact N-CD2 3.44Å; G262-H286 PolarHBondContact N-NE2 2.93Å; L265-H286 WeakPolarHBondContact CD1-NE2 3.46Å; Y282-H286 PolarHBondContact O-CD2 3.17Å; Y282-H286 PolarHBondContact O-NE2 3.49Å; V283-H286 PolarHBondContact O-N 2.63Å; V283-H286 VanDerWaalsContact O-N 3.09Å; L284-H286 PolarHBondContact O-N 2.93Å; L284-H286 VanDerWaalsContact O-N 3.16Å; H286-I347 WeakPolarHBondContact ND1-CD1 3.41Å |
| 287 | K | 82.2 | Confident | 84.6 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -71.1 | 143.5 | 177.7 | 82.7 | -167.4 | -172.4 | 92.2 | 0 | 110.2 | L284 V291 L293 | L284-K287 VanDerWaalsContact O-CG 3.29Å; L284-K287 WeakPolarHBondContact O-CG 3.25Å; L284-K287 PolarHBondContact O-N 3.18Å; K287-V291 PolarHBondContact NZ-O 2.86Å; K287-L293 HydrophobicContact CB-CB 4.23Å; K287-L293 HydrophobicContact CB-CD2 4.3Å; K287-L293 HydrophobicContact CD-CB 3.94Å |
| 288 | S | 73 | Confident | 84.6 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | trans | -61.8 | 143.4 | 172.8 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | S290 V291 | S288-S290 PolarHBondContact O-N 3.5Å; S288-S290 VanDerWaalsContact O-N 3.15Å; S288-S290 PolarHBondContact OG-N 2.96Å; S288-S290 PolarHBondContact OG-OG 3.38Å; S288-V291 PolarHBondContact O-N 3.42Å | ||
| 289 | P | 69.9 | Low | 84.6 | Confident | 136 Ų | 136 | 64.8 Ų | 64.8 | 88% | 0.883 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -28.8 | 171.6 | -24.2 | 33.5 | 0 | 0 | 0 | 113.3 | V291 | P289-V291 VanDerWaalsContact C-N 3.27Å; P289-V291 PolarHBondContact O-N 3.31Å |
| 290 | S | 70.6 | Confident | 84.5 | Confident | 106 Ų | 106 | 65 Ų | 65 | 74% | 0.741 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -5.6 | 176.9 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | S288 | S288-S290 PolarHBondContact O-N 3.5Å; S288-S290 VanDerWaalsContact O-N 3.15Å; S288-S290 PolarHBondContact OG-N 2.96Å; S288-S290 PolarHBondContact OG-OG 3.38Å |
| 291 | V | 76.9 | Confident | 84.6 | Confident | 19 Ų | 19 | 69.3 Ų | 69.3 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | trans | -115.4 | 119.9 | -175.4 | 179 | 0 | 0 | 0 | 0 | 110.8 | L249 L251 I254 K287 S288 P289 L293 | L249-V291 HydrophobicContact CD2-CG1 4.09Å; L249-V291 HydrophobicContact CD2-CG2 4.16Å; L251-V291 HydrophobicContact CD2-CG1 4.44Å; I254-V291 HydrophobicContact CD1-CG1 3.97Å; I254-V291 HydrophobicContact CD1-CG2 4.41Å; I254-V291 HydrophobicContact CG2-CG1 4.37Å; K287-V291 PolarHBondContact NZ-O 2.86Å; S288-V291 PolarHBondContact O-N 3.42Å; P289-V291 VanDerWaalsContact C-N 3.27Å; P289-V291 PolarHBondContact O-N 3.31Å; V291-L293 HydrophobicContact CG1-CB 4.49Å; V291-L293 PolarHBondContact O-N 3.4Å | ||
| 292 | D | 79.9 | Confident | 84.7 | Confident | 103 Ų | 103 | 70.8 Ų | 70.8 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | trans | -85.5 | 79.7 | 170.3 | -176.5 | 39.6 | 0 | 0 | 0 | 111 | D294 K297 | D292-D294 PolarHBondContact O-N 2.9Å; D292-D294 VanDerWaalsContact O-N 3.12Å; D292-K297 IonicContact OD2-NZ 3.58Å; D292-K297 PolarHBondContact OD2-NZ 3.41Å | ||
| 293 | L | 84.7 | Confident | 84.9 | Confident | 11 Ų | 11 | 70.6 Ų | 70.6 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | trans | -73.9 | 97.4 | 178.1 | -171.7 | 66.9 | 0 | 0 | 0 | 111.2 | L251 I254 L255 L284 K287 V291 | L251-L293 HydrophobicContact CB-CD1 4.45Å; L251-L293 HydrophobicContact CD2-CD1 4.21Å; I254-L293 HydrophobicContact CB-CD1 4.31Å; I254-L293 HydrophobicContact CG2-CD1 4.07Å; I254-L293 HydrophobicContact CG2-CD2 4.42Å; L255-L293 HydrophobicContact CB-CD1 4.17Å; L255-L293 HydrophobicContact CB-CD2 4.45Å; L255-L293 HydrophobicContact CD1-CD2 4.28Å; L284-L293 HydrophobicContact CD2-CD2 4.12Å; K287-L293 HydrophobicContact CB-CB 4.23Å; K287-L293 HydrophobicContact CB-CD2 4.3Å; K287-L293 HydrophobicContact CD-CB 3.94Å; V291-L293 HydrophobicContact CG1-CB 4.49Å; V291-L293 PolarHBondContact O-N 3.4Å | ||
| 294 | D | 86.2 | Confident | 84.9 | Confident | 52 Ų | 52 | 71.4 Ų | 71.4 | 28% | 0.278 | 37% | 0.37 | S | S | . | . | trans | -106.5 | 122.7 | 171.9 | -177 | -2.4 | 0 | 0 | 0 | 110.9 | D292 K296 K297 | D292-D294 PolarHBondContact O-N 2.9Å; D292-D294 VanDerWaalsContact O-N 3.12Å; D294-K296 PolarHBondContact O-N 3.49Å; D294-K296 VanDerWaalsContact O-N 3.13Å; D294-K296 WeakPolarHBondContact OD1-CB 3.45Å; D294-K296 PolarHBondContact OD1-N 2.91Å; D294-K297 HydrophobicContact CB-CD 4.02Å; D294-K297 HydrophobicContact CB-CG 4.08Å; D294-K297 WeakPolarHBondContact O-CB 3.48Å; D294-K297 PolarHBondContact O-N 3.47Å | ||
| 295 | I | 90.7 | Very high | 85.2 | Confident | 21 Ų | 21 | 73.6 Ų | 73.6 | 11% | 0.108 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -57.4 | -27.9 | 177.7 | -164.3 | 65.7 | 0 | 0 | 0 | 112.3 | L255 Y279 K297 T298 K301 V303 F306 | L255-I295 HydrophobicContact CD2-CD1 3.39Å; Y279-I295 HydrophobicContact CE2-CD1 4.44Å; I295-K297 PolarHBondContact O-N 3.01Å; I295-T298 HydrophobicContact CD1-CG2 4.42Å; I295-T298 WeakPolarHBondContact O-CB 3.33Å; I295-T298 PolarHBondContact O-N 2.97Å; I295-T298 PolarHBondContact O-OG1 3.46Å; I295-K301 VanDerWaalsContact O-CA 3.31Å; I295-K301 WeakPolarHBondContact O-CA 3.27Å; I295-K301 PolarHBondContact O-N 2.8Å; I295-V303 HydrophobicContact CB-CG2 4.47Å; I295-V303 HydrophobicContact CG1-CG2 4.07Å; I295-V303 HydrophobicContact CG2-CG2 4.39Å; I295-F306 HydrophobicContact CD1-CB 4.32Å |
| 296 | K | 88.3 | Confident | 85.7 | Confident | 158 Ų | 158 | 70.6 Ų | 70.6 | 69% | 0.687 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -69.2 | -24.6 | 178.4 | -66.5 | -179.8 | 179.2 | 178 | 0 | 113 | D294 T298 | D294-K296 PolarHBondContact O-N 3.49Å; D294-K296 VanDerWaalsContact O-N 3.13Å; D294-K296 WeakPolarHBondContact OD1-CB 3.45Å; D294-K296 PolarHBondContact OD1-N 2.91Å; K296-T298 VanDerWaalsContact C-N 3.33Å |
| 297 | K | 89.4 | Confident | 86.3 | Confident | 123 Ų | 123 | 69.8 Ų | 69.8 | 54% | 0.535 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -87.9 | -3.2 | 176.8 | -58.6 | 176.7 | -172.5 | 166.5 | 0 | 112.4 | L251 D292 D294 I295 | L251-K297 HydrophobicContact CD1-CB 3.4Å; L251-K297 HydrophobicContact CD1-CD 4.18Å; L251-K297 HydrophobicContact CD1-CG 4.43Å; D292-K297 IonicContact OD2-NZ 3.58Å; D292-K297 PolarHBondContact OD2-NZ 3.41Å; D294-K297 HydrophobicContact CB-CD 4.02Å; D294-K297 HydrophobicContact CB-CG 4.08Å; D294-K297 WeakPolarHBondContact O-CB 3.48Å; D294-K297 PolarHBondContact O-N 3.47Å; I295-K297 PolarHBondContact O-N 3.01Å |
| 298 | T | 89.9 | Confident | 86.8 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -91.2 | 161.9 | 174.1 | 73 | 0 | 0 | 0 | 0 | 111.2 | L251 D252 L255 I295 K296 F300 K301 | L251-T298 HydrophobicContact CB-CG2 4.15Å; D252-T298 WeakPolarHBondContact OD1-CA 3.43Å; D252-T298 WeakPolarHBondContact OD1-CB 3.48Å; L255-T298 HydrophobicContact CD2-CG2 4.06Å; I295-T298 HydrophobicContact CD1-CG2 4.42Å; I295-T298 WeakPolarHBondContact O-CB 3.33Å; I295-T298 PolarHBondContact O-N 2.97Å; I295-T298 PolarHBondContact O-OG1 3.46Å; K296-T298 VanDerWaalsContact C-N 3.33Å; T298-F300 PolarHBondContact O-N 3.31Å; T298-F300 VanDerWaalsContact O-N 3.1Å; T298-F300 PolarHBondContact OG1-N 2.94Å; T298-K301 PolarHBondContact O-N 3.38Å |
| 299 | K | 91.7 | Very high | 87.8 | Confident | 146 Ų | 146 | 69.9 Ų | 69.9 | 64% | 0.635 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.7 | 176.2 | 71.9 | -175.9 | 164.1 | -166.6 | 0 | 113.5 | D252 | D252-K299 PolarHBondContact OD1-N 3.48Å; D252-K299 WeakPolarHBondContact OD2-CB 3.37Å; D252-K299 WeakPolarHBondContact OD2-CD 3.44Å; D252-K299 WeakPolarHBondContact OD2-CE 3.24Å; D252-K299 WeakPolarHBondContact OD2-CG 3.41Å; D252-K299 IonicContact OD2-NZ 3.1Å |
| 300 | F | 91.5 | Very high | 89 | Confident | 28 Ų | 28 | 63.4 Ų | 63.4 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -28.1 | -176.6 | -53.7 | -73.8 | 0 | 0 | 0 | 113.1 | L255 T298 K302 L305 F306 A309 | L255-F300 HydrophobicContact CD2-CD2 4.06Å; L255-F300 HydrophobicContact CD2-CE2 4.36Å; T298-F300 PolarHBondContact O-N 3.31Å; T298-F300 VanDerWaalsContact O-N 3.1Å; T298-F300 PolarHBondContact OG1-N 2.94Å; F300-K302 PolarHBondContact O-N 3.48Å; F300-L305 VanDerWaalsContact O-CD1 3.27Å; F300-L305 WeakPolarHBondContact O-CD1 3.35Å; F300-F306 HydrophobicContact CB-CB 3.88Å; F300-F306 HydrophobicContact CD1-CB 4.19Å; F300-F306 HydrophobicContact CD1-CD2 4.31Å; F300-F306 HydrophobicContact CD2-CB 4.04Å; F300-F306 AromaticContact CD2-CD2 3.65Å; F300-F306 HydrophobicContact CD2-CD2 3.65Å; F300-F306 HydrophobicContact CD2-CG 4.23Å; F300-F306 HydrophobicContact CE1-CD2 4.14Å; F300-F306 AromaticContact CE2-CD2 3.47Å; F300-F306 HydrophobicContact CE2-CD2 3.47Å; F300-F306 VanDerWaalsContact CE2-CD2 3.47Å; F300-F306 HydrophobicContact CE2-CE2 4.05Å; F300-F306 HydrophobicContact CE2-CG 4.46Å; F300-F306 HydrophobicContact CG-CB 3.76Å; F300-F306 HydrophobicContact CG-CD2 4.07Å; F300-F306 HydrophobicContact CG-CG 4.4Å; F300-F306 AromaticContact CZ-CD2 3.71Å; F300-F306 HydrophobicContact CZ-CD2 3.71Å; F300-F306 HydrophobicContact CZ-CE2 4.27Å; F300-A309 HydrophobicContact CD1-CB 4.34Å; F300-A309 HydrophobicContact CE1-CB 3.75Å |
| 301 | K | 90.1 | Very high | 90.1 | Very high | 147 Ų | 147 | 61.6 Ų | 61.6 | 64% | 0.639 | 30% | 0.296 | S | S | * | . | trans | 59.8 | -22 | -177.9 | -54.6 | -179.1 | -180 | -179.4 | 0 | 116.6 | I295 T298 | I295-K301 VanDerWaalsContact O-CA 3.31Å; I295-K301 WeakPolarHBondContact O-CA 3.27Å; I295-K301 PolarHBondContact O-N 2.8Å; T298-K301 PolarHBondContact O-N 3.38Å | ||
| 302 | K | 91.5 | Very high | 90.9 | Very high | 145 Ų | 145 | 67.1 Ų | 67.1 | 63% | 0.63 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -142.2 | 142.3 | -179.5 | -64.6 | -177.2 | 179.6 | 178.9 | 0 | 110.7 | F300 G304 L305 F306 | F300-K302 PolarHBondContact O-N 3.48Å; K302-G304 VanDerWaalsContact C-N 3.29Å; K302-G304 PolarHBondContact O-N 3.41Å; K302-L305 HydrophobicContact CB-CB 4.47Å; K302-L305 HydrophobicContact CB-CD1 4.21Å; K302-L305 HydrophobicContact CB-CG 4.22Å; K302-L305 HydrophobicContact CD-CD1 4.44Å; K302-L305 PolarHBondContact O-N 2.92Å; K302-L305 VanDerWaalsContact O-N 3.11Å; K302-F306 PolarHBondContact O-N 3.3Å; K302-F306 VanDerWaalsContact O-N 3.11Å |
| 303 | V | 91.9 | Very high | 91.5 | Very high | 31 Ų | 31 | 66.2 Ų | 66.2 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.4 | -39.2 | 179 | -179 | 0 | 0 | 0 | 0 | 112 | V275 Y279 I295 L305 F306 L307 | V275-V303 HydrophobicContact CG1-CG1 3.56Å; Y279-V303 HydrophobicContact CD1-CG2 3.75Å; Y279-V303 HydrophobicContact CD2-CB 4.39Å; Y279-V303 HydrophobicContact CD2-CG1 3.59Å; Y279-V303 HydrophobicContact CD2-CG2 3.88Å; Y279-V303 HydrophobicContact CE1-CG2 3.77Å; Y279-V303 HydrophobicContact CE2-CG1 4.23Å; Y279-V303 HydrophobicContact CE2-CG2 3.88Å; Y279-V303 HydrophobicContact CG-CB 4.48Å; Y279-V303 HydrophobicContact CG-CG1 3.77Å; Y279-V303 HydrophobicContact CG-CG2 3.81Å; I295-V303 HydrophobicContact CB-CG2 4.47Å; I295-V303 HydrophobicContact CG1-CG2 4.07Å; I295-V303 HydrophobicContact CG2-CG2 4.39Å; V303-L305 VanDerWaalsContact C-N 3.32Å; V303-L305 PolarHBondContact O-N 3.44Å; V303-F306 WeakPolarHBondContact O-CB 3.36Å; V303-F306 PolarHBondContact O-N 3.16Å; V303-L307 HydrophobicContact CG1-CD1 4.42Å; V303-L307 HydrophobicContact CG1-CG 4.43Å; V303-L307 PolarHBondContact O-N 3.01Å |
| 304 | G | 90.8 | Very high | 91.9 | Very high | 17 Ų | 17 | 67.2 Ų | 67.2 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -34.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | K302 K308 L326 | K302-G304 VanDerWaalsContact C-N 3.29Å; K302-G304 PolarHBondContact O-N 3.41Å; G304-K308 WeakPolarHBondContact O-CB 3.45Å; G304-K308 VanDerWaalsContact O-CG 3.32Å; G304-K308 WeakPolarHBondContact O-CG 3.28Å; G304-K308 PolarHBondContact O-N 3.31Å; G304-K308 VanDerWaalsContact O-N 3.08Å; G304-L326 VanDerWaalsContact CA-CD1 3.48Å |
| 305 | L | 93 | Very high | 92.2 | Very high | 94 Ų | 94 | 64.8 Ų | 64.8 | 49% | 0.492 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.2 | -39.7 | 175.4 | -67.8 | 175.8 | 0 | 0 | 0 | 111 | F300 K302 V303 K308 A309 | F300-L305 VanDerWaalsContact O-CD1 3.27Å; F300-L305 WeakPolarHBondContact O-CD1 3.35Å; K302-L305 HydrophobicContact CB-CB 4.47Å; K302-L305 HydrophobicContact CB-CD1 4.21Å; K302-L305 HydrophobicContact CB-CG 4.22Å; K302-L305 HydrophobicContact CD-CD1 4.44Å; K302-L305 PolarHBondContact O-N 2.92Å; K302-L305 VanDerWaalsContact O-N 3.11Å; V303-L305 VanDerWaalsContact C-N 3.32Å; V303-L305 PolarHBondContact O-N 3.44Å; L305-K308 PolarHBondContact O-N 2.97Å; L305-A309 PolarHBondContact O-N 2.9Å; L305-A309 VanDerWaalsContact O-N 3.07Å |
| 306 | F | 95.2 | Very high | 92.4 | Very high | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.7 | -50.7 | 172.7 | 170.3 | -118.2 | 0 | 0 | 0 | 111.7 | L255 F259 I295 F300 K302 V303 K308 A309 M310 | L255-F306 HydrophobicContact CD1-CE1 4.21Å; L255-F306 HydrophobicContact CD1-CZ 4.44Å; L255-F306 HydrophobicContact CD2-CD1 4.19Å; L255-F306 HydrophobicContact CD2-CD2 3.86Å; L255-F306 HydrophobicContact CD2-CE1 4.34Å; L255-F306 HydrophobicContact CD2-CE2 4.02Å; L255-F306 HydrophobicContact CD2-CG 3.94Å; L255-F306 HydrophobicContact CD2-CZ 4.25Å; L255-F306 HydrophobicContact CG-CD2 4.46Å; L255-F306 HydrophobicContact CG-CE1 4.19Å; L255-F306 HydrophobicContact CG-CE2 4.13Å; L255-F306 HydrophobicContact CG-CZ 3.99Å; F259-F306 HydrophobicContact CB-CE1 3.92Å; F259-F306 HydrophobicContact CB-CZ 3.63Å; F259-F306 AromaticContact CD1-CZ 3.98Å; F259-F306 HydrophobicContact CD1-CZ 3.98Å; F259-F306 AromaticContact CD2-CE1 3.7Å; F259-F306 HydrophobicContact CD2-CE1 3.7Å; F259-F306 AromaticContact CD2-CZ 3.96Å; F259-F306 HydrophobicContact CD2-CZ 3.96Å; F259-F306 HydrophobicContact CE2-CE1 4.33Å; F259-F306 AromaticContact CG-CE1 3.82Å; F259-F306 HydrophobicContact CG-CE1 3.82Å; F259-F306 AromaticContact CG-CZ 3.59Å; F259-F306 HydrophobicContact CG-CZ 3.59Å; I295-F306 HydrophobicContact CD1-CB 4.32Å; F300-F306 HydrophobicContact CB-CB 3.88Å; F300-F306 HydrophobicContact CD1-CB 4.19Å; F300-F306 HydrophobicContact CD1-CD2 4.31Å; F300-F306 HydrophobicContact CD2-CB 4.04Å; F300-F306 AromaticContact CD2-CD2 3.65Å; F300-F306 HydrophobicContact CD2-CD2 3.65Å; F300-F306 HydrophobicContact CD2-CG 4.23Å; F300-F306 HydrophobicContact CE1-CD2 4.14Å; F300-F306 AromaticContact CE2-CD2 3.47Å; F300-F306 HydrophobicContact CE2-CD2 3.47Å; F300-F306 VanDerWaalsContact CE2-CD2 3.47Å; F300-F306 HydrophobicContact CE2-CE2 4.05Å; F300-F306 HydrophobicContact CE2-CG 4.46Å; F300-F306 HydrophobicContact CG-CB 3.76Å; F300-F306 HydrophobicContact CG-CD2 4.07Å; F300-F306 HydrophobicContact CG-CG 4.4Å; F300-F306 AromaticContact CZ-CD2 3.71Å; F300-F306 HydrophobicContact CZ-CD2 3.71Å; F300-F306 HydrophobicContact CZ-CE2 4.27Å; K302-F306 PolarHBondContact O-N 3.3Å; K302-F306 VanDerWaalsContact O-N 3.11Å; V303-F306 WeakPolarHBondContact O-CB 3.36Å; V303-F306 PolarHBondContact O-N 3.16Å; F306-K308 PolarHBondContact O-N 3.31Å; F306-A309 WeakPolarHBondContact O-CB 3.12Å; F306-A309 PolarHBondContact O-N 2.95Å; F306-M310 HydrophobicContact CD2-CE 4.31Å; F306-M310 HydrophobicContact CD2-CG 4.04Å; F306-M310 HydrophobicContact CD2-SD 4.46Å; F306-M310 HydrophobicContact CE1-CG 4.14Å; F306-M310 HydrophobicContact CE2-CE 3.86Å; F306-M310 HydrophobicContact CE2-CG 3.57Å; F306-M310 HydrophobicContact CE2-SD 3.61Å; F306-M310 HydrophobicContact CZ-CG 3.62Å; F306-M310 HydrophobicContact CZ-SD 3.87Å; F306-M310 WeakPolarHBondContact O-CG 3.38Å; F306-M310 PolarHBondContact O-N 2.99Å |
| 307 | L | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.8 | -27 | -178.2 | -64 | -174 | 0 | 0 | 0 | 114.1 | F259 V275 F278 V303 M310 Q311 V318 | F259-L307 HydrophobicContact CD2-CD2 4.1Å; F259-L307 HydrophobicContact CE2-CD2 3.58Å; F259-L307 HydrophobicContact CZ-CD2 4.36Å; V275-L307 HydrophobicContact CB-CD1 4.04Å; V275-L307 HydrophobicContact CG1-CD1 3.44Å; V275-L307 VanDerWaalsContact CG1-CD1 3.44Å; V275-L307 HydrophobicContact CG2-CD1 3.52Å; F278-L307 HydrophobicContact CD1-CD1 4.1Å; F278-L307 HydrophobicContact CD1-CD2 4.41Å; F278-L307 HydrophobicContact CE1-CD1 4.43Å; F278-L307 HydrophobicContact CE1-CD2 3.94Å; V303-L307 HydrophobicContact CG1-CD1 4.42Å; V303-L307 HydrophobicContact CG1-CG 4.43Å; V303-L307 PolarHBondContact O-N 3.01Å; L307-M310 PolarHBondContact O-N 2.93Å; L307-Q311 WeakPolarHBondContact O-CB 3.49Å; L307-Q311 PolarHBondContact O-N 3.26Å; L307-V318 HydrophobicContact CB-CG2 4.02Å |
| 308 | K | 92.5 | Very high | 93.1 | Very high | 100 Ų | 100 | 56.2 Ų | 56.2 | 44% | 0.435 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 168.7 | -77.8 | 179.1 | -179.2 | -174.6 | 0 | 110.8 | G304 L305 F306 M310 Q311 D312 | G304-K308 WeakPolarHBondContact O-CB 3.45Å; G304-K308 VanDerWaalsContact O-CG 3.32Å; G304-K308 WeakPolarHBondContact O-CG 3.28Å; G304-K308 PolarHBondContact O-N 3.31Å; G304-K308 VanDerWaalsContact O-N 3.08Å; L305-K308 PolarHBondContact O-N 2.97Å; F306-K308 PolarHBondContact O-N 3.31Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 2.85Å; K308-Q311 WeakPolarHBondContact O-CB 3.46Å; K308-Q311 PolarHBondContact O-N 2.65Å; K308-Q311 VanDerWaalsContact O-N 3.1Å; K308-D312 VanDerWaalsContact O-CG 3.26Å; K308-D312 PolarHBondContact O-N 2.9Å |
| 309 | A | 94.1 | Very high | 93.2 | Very high | 24 Ų | 24 | 59 Ų | 59 | 20% | 0.198 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F300 L305 F306 Q311 D312 E313 | F300-A309 HydrophobicContact CD1-CB 4.34Å; F300-A309 HydrophobicContact CE1-CB 3.75Å; L305-A309 PolarHBondContact O-N 2.9Å; L305-A309 VanDerWaalsContact O-N 3.07Å; F306-A309 WeakPolarHBondContact O-CB 3.12Å; F306-A309 PolarHBondContact O-N 2.95Å; A309-Q311 VanDerWaalsContact C-N 3.27Å; A309-Q311 PolarHBondContact O-N 3.17Å; A309-D312 PolarHBondContact O-N 3.13Å; A309-E313 WeakPolarHBondContact O-CG 3.27Å; A309-E313 PolarHBondContact O-N 2.66Å |
| 310 | M | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.7 | -27.8 | 175.8 | -61.3 | -61.3 | 93.7 | 0 | 0 | 112.9 | F259 F306 L307 K308 E313 G314 F315 V316 | F259-M310 HydrophobicContact CD1-CG 4.17Å; F259-M310 HydrophobicContact CD1-SD 3.93Å; F259-M310 HydrophobicContact CE1-CB 3.97Å; F259-M310 HydrophobicContact CE1-CG 3.63Å; F259-M310 HydrophobicContact CE1-SD 3.65Å; F259-M310 HydrophobicContact CE2-CG 4.32Å; F259-M310 HydrophobicContact CZ-CB 3.73Å; F259-M310 HydrophobicContact CZ-CG 3.7Å; F259-M310 HydrophobicContact CZ-SD 4.35Å; F306-M310 HydrophobicContact CD2-CE 4.31Å; F306-M310 HydrophobicContact CD2-CG 4.04Å; F306-M310 HydrophobicContact CD2-SD 4.46Å; F306-M310 HydrophobicContact CE1-CG 4.14Å; F306-M310 HydrophobicContact CE2-CE 3.86Å; F306-M310 HydrophobicContact CE2-CG 3.57Å; F306-M310 HydrophobicContact CE2-SD 3.61Å; F306-M310 HydrophobicContact CZ-CG 3.62Å; F306-M310 HydrophobicContact CZ-SD 3.87Å; F306-M310 WeakPolarHBondContact O-CG 3.38Å; F306-M310 PolarHBondContact O-N 2.99Å; L307-M310 PolarHBondContact O-N 2.93Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 2.85Å; M310-E313 VanDerWaalsContact CE-CD 3.48Å; M310-E313 WeakPolarHBondContact CE-OE1 3.48Å; M310-E313 WeakPolarHBondContact CE-OE2 3.48Å; M310-G314 PolarHBondContact O-N 2.7Å; M310-F315 HydrophobicContact CB-CB 4.31Å; M310-F315 HydrophobicContact CB-CD2 4.37Å; M310-F315 WeakPolarHBondContact O-CB 3.5Å; M310-F315 PolarHBondContact O-N 2.98Å; M310-F315 HydrophobicContact SD-CD2 4.19Å; M310-F315 HydrophobicContact SD-CE2 4.33Å; M310-V316 HydrophobicContact CB-CG2 4.01Å |
| 311 | Q | 95.2 | Very high | 93.1 | Very high | 68 Ų | 68 | 59.4 Ų | 59.4 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.5 | -43.4 | 171.3 | 170.8 | 178.8 | -62.9 | 0 | 0 | 111.4 | L307 K308 A309 E313 G314 V316 V318 | L307-Q311 WeakPolarHBondContact O-CB 3.49Å; L307-Q311 PolarHBondContact O-N 3.26Å; K308-Q311 WeakPolarHBondContact O-CB 3.46Å; K308-Q311 PolarHBondContact O-N 2.65Å; K308-Q311 VanDerWaalsContact O-N 3.1Å; A309-Q311 VanDerWaalsContact C-N 3.27Å; A309-Q311 PolarHBondContact O-N 3.17Å; Q311-E313 PolarHBondContact O-N 2.9Å; Q311-G314 WeakPolarHBondContact O-CA 3.45Å; Q311-G314 PolarHBondContact O-N 3.05Å; Q311-V316 VanDerWaalsContact CA-O 3.25Å; Q311-V316 WeakPolarHBondContact CA-O 3.5Å; Q311-V316 HydrophobicContact CB-CG2 4.25Å; Q311-V316 VanDerWaalsContact CB-O 3.28Å; Q311-V316 WeakPolarHBondContact CB-O 3.3Å; Q311-V316 VanDerWaalsContact CG-O 3.29Å; Q311-V316 WeakPolarHBondContact CG-O 3.43Å; Q311-V318 PolarHBondContact OE1-O 2.96Å |
| 312 | D | 93.2 | Very high | 92.8 | Very high | 134 Ų | 134 | 59.9 Ų | 59.9 | 72% | 0.717 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.3 | -32.7 | 176.8 | -61.4 | -24.8 | 0 | 0 | 0 | 111.3 | K308 A309 G314 | K308-D312 VanDerWaalsContact O-CG 3.26Å; K308-D312 PolarHBondContact O-N 2.9Å; A309-D312 PolarHBondContact O-N 3.13Å; D312-G314 VanDerWaalsContact C-N 3.26Å; D312-G314 PolarHBondContact O-N 3.18Å |
| 313 | E | 92.6 | Very high | 92.4 | Very high | 84 Ų | 84 | 58.9 Ų | 58.9 | 39% | 0.393 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -7.9 | 170.7 | -71.1 | 174.8 | -141.7 | 0 | 0 | 113.5 | R256 A309 M310 Q311 F315 H335 | R256-E313 IonicContact CZ-OE2 2.79Å; R256-E313 IonicContact NE-OE2 3.95Å; R256-E313 IonicContact NH2-OE2 3.67Å; R256-E313 PolarHBondContact NH2-OE2 2.87Å; A309-E313 WeakPolarHBondContact O-CG 3.27Å; A309-E313 PolarHBondContact O-N 2.66Å; M310-E313 VanDerWaalsContact CE-CD 3.48Å; M310-E313 WeakPolarHBondContact CE-OE1 3.48Å; M310-E313 WeakPolarHBondContact CE-OE2 3.48Å; Q311-E313 PolarHBondContact O-N 2.9Å; E313-F315 HydrophobicContact CB-CD2 3.74Å; E313-F315 HydrophobicContact CB-CE2 3.83Å; E313-F315 WeakPolarHBondContact OE2-CE2 2.88Å; E313-H335 PolarHBondContact O-NE2 3.33Å; E313-H335 VanDerWaalsContact O-NE2 3.16Å |
| 314 | G | 92.4 | Very high | 91.8 | Very high | 33 Ų | 33 | 60.5 Ų | 60.5 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 18.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | M310 Q311 D312 N332 | M310-G314 PolarHBondContact O-N 2.7Å; Q311-G314 WeakPolarHBondContact O-CA 3.45Å; Q311-G314 PolarHBondContact O-N 3.05Å; D312-G314 VanDerWaalsContact C-N 3.26Å; D312-G314 PolarHBondContact O-N 3.18Å; G314-N332 WeakPolarHBondContact O-CB 3.23Å; G314-N332 PolarHBondContact O-ND2 3.4Å |
| 315 | F | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -79 | -38.2 | 175.8 | -73.5 | -87.6 | 0 | 0 | 0 | 113.4 | F259 L260 L263 M310 E313 N332 H335 E337 | F259-F315 HydrophobicContact CE1-CB 4.06Å; F259-F315 HydrophobicContact CE1-CD1 4.09Å; F259-F315 HydrophobicContact CE1-CD2 4.48Å; F259-F315 AromaticContact CE1-CG 3.97Å; F259-F315 HydrophobicContact CE1-CG 3.97Å; F259-F315 HydrophobicContact CZ-CB 4.07Å; F259-F315 HydrophobicContact CZ-CG 4.48Å; L260-F315 HydrophobicContact CD2-CD1 4.07Å; L260-F315 HydrophobicContact CD2-CE1 3.31Å; L260-F315 HydrophobicContact CD2-CZ 3.95Å; L263-F315 HydrophobicContact CD1-CB 4.23Å; L263-F315 HydrophobicContact CD1-CD1 3.97Å; M310-F315 HydrophobicContact CB-CB 4.31Å; M310-F315 HydrophobicContact CB-CD2 4.37Å; M310-F315 WeakPolarHBondContact O-CB 3.5Å; M310-F315 PolarHBondContact O-N 2.98Å; M310-F315 HydrophobicContact SD-CD2 4.19Å; M310-F315 HydrophobicContact SD-CE2 4.33Å; E313-F315 HydrophobicContact CB-CD2 3.74Å; E313-F315 HydrophobicContact CB-CE2 3.83Å; E313-F315 WeakPolarHBondContact OE2-CE2 2.88Å; F315-N332 PolarHBondContact O-N 3.38Å; F315-H335 HydrophobicContact CD1-CB 4.12Å; F315-H335 AromaticContact CD1-CG 3.69Å; F315-H335 AromaticContact CD1-ND1 3.64Å; F315-H335 HydrophobicContact CE1-CB 4.29Å; F315-H335 AromaticContact CE1-CE1 3.5Å; F315-H335 VanDerWaalsContact CE1-CE1 3.5Å; F315-H335 WeakPolarHBondContact CE1-CE1 3.37Å; F315-H335 AromaticContact CE1-CG 3.64Å; F315-H335 AromaticContact CE1-ND1 3.07Å; F315-H335 WeakPolarHBondContact CE1-ND1 3.48Å; F315-H335 AromaticContact CE2-CE1 3.5Å; F315-H335 VanDerWaalsContact CE2-CE1 3.5Å; F315-H335 WeakPolarHBondContact CE2-CE1 3.16Å; F315-H335 AromaticContact CE2-ND1 3.97Å; F315-H335 AromaticContact CE2-NE2 3.89Å; F315-H335 AromaticContact CZ-CE1 3.17Å; F315-H335 WeakPolarHBondContact CZ-CE1 3.45Å; F315-H335 AromaticContact CZ-ND1 3.28Å; F315-H335 VanDerWaalsContact CZ-ND1 3.28Å; F315-H335 WeakPolarHBondContact CZ-ND1 3.5Å; F315-H335 AromaticContact CZ-NE2 3.98Å; F315-E337 HydrophobicContact CE1-CB 3.9Å; F315-E337 HydrophobicContact CZ-CB 3.79Å; F315-E337 HydrophobicContact CZ-CG 4.17Å |
| 316 | V | 95.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.024 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 160.1 | -165.8 | -69.5 | 0 | 0 | 0 | 0 | 111.5 | F259 L263 M310 Q311 V318 L328 H330 I331 | F259-V316 HydrophobicContact CE2-CG1 4.39Å; F259-V316 HydrophobicContact CZ-CG1 3.99Å; L263-V316 HydrophobicContact CD1-CG1 4.4Å; L263-V316 HydrophobicContact CD2-CG1 3.8Å; M310-V316 HydrophobicContact CB-CG2 4.01Å; Q311-V316 VanDerWaalsContact CA-O 3.25Å; Q311-V316 WeakPolarHBondContact CA-O 3.5Å; Q311-V316 HydrophobicContact CB-CG2 4.25Å; Q311-V316 VanDerWaalsContact CB-O 3.28Å; Q311-V316 WeakPolarHBondContact CB-O 3.3Å; Q311-V316 VanDerWaalsContact CG-O 3.29Å; Q311-V316 WeakPolarHBondContact CG-O 3.43Å; V316-V318 HydrophobicContact CG2-CG2 4.07Å; V316-L328 HydrophobicContact CB-CD1 3.45Å; V316-L328 VanDerWaalsContact CB-CD1 3.45Å; V316-L328 HydrophobicContact CG1-CD1 3.54Å; V316-L328 HydrophobicContact CG2-CD1 4.27Å; V316-H330 CarbonylContact C-O 3.55Å; V316-H330 VanDerWaalsContact CA-O 3.28Å; V316-H330 WeakPolarHBondContact CA-O 3.43Å; V316-I331 HydrophobicContact CG1-CG1 4.29Å |
| 317 | E | 96 | Very high | 91.5 | Very high | 101 Ų | 101 | 61 Ų | 61 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.8 | 165.5 | -62.1 | 163.5 | -151.5 | 0 | 0 | 109.1 | N329 H330 | E317-N329 PolarHBondContact O-N 2.93Å; E317-H330 HydrophobicContact CB-CB 3.9Å; E317-H330 HydrophobicContact CG-CB 4.02Å; E317-H330 PolarHBondContact N-O 3.32Å; E317-H330 PolarHBondContact O-N 3.3Å; E317-H330 IonicContact OE1-CE1 3.36Å; E317-H330 IonicContact OE1-CG 3.68Å; E317-H330 IonicContact OE1-ND1 3.34Å; E317-H330 PolarHBondContact OE1-ND1 3.37Å |
| 318 | V | 94.9 | Very high | 91.5 | Very high | 18 Ų | 18 | 61 Ų | 61 | 11% | 0.109 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 134.1 | -176.5 | -170.6 | 0 | 0 | 0 | 0 | 109.1 | V275 L307 Q311 V316 L326 M327 L328 | V275-V318 HydrophobicContact CG2-CG1 3.97Å; L307-V318 HydrophobicContact CB-CG2 4.02Å; Q311-V318 PolarHBondContact OE1-O 2.96Å; V316-V318 HydrophobicContact CG2-CG2 4.07Å; V318-L326 HydrophobicContact CG1-CB 4.13Å; V318-L326 HydrophobicContact CG1-CD2 4.11Å; V318-M327 CarbonylContact C-O 3.49Å; V318-M327 VanDerWaalsContact CA-O 3.22Å; V318-M327 WeakPolarHBondContact CA-O 3.31Å; V318-M327 WeakPolarHBondContact CG1-O 3.34Å; V318-L328 HydrophobicContact CG2-CD1 4.21Å |
| 319 | T | 93.7 | Very high | 91.6 | Very high | 63 Ų | 63 | 59 Ų | 59 | 39% | 0.387 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 160.2 | 175.4 | 57.4 | 0 | 0 | 0 | 0 | 111.2 | P321 L326 M327 N329 | T319-P321 VanDerWaalsContact C-CD 3.48Å; T319-P321 WeakPolarHBondContact O-CD 3.46Å; T319-L326 WeakPolarHBondContact O-CA 3.24Å; T319-M327 PolarHBondContact N-O 3.46Å; T319-M327 PolarHBondContact O-N 3.45Å; T319-N329 WeakPolarHBondContact CG2-ND2 3.4Å; T319-N329 PolarHBondContact OG1-ND2 3.4Å |
| 320 | E | 93 | Very high | 91.6 | Very high | 95 Ų | 95 | 61.7 Ų | 61.7 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 75.9 | 176.1 | -166.5 | 172.4 | 169.3 | 0 | 0 | 109.6 | K322 G324 L326 | E320-K322 WeakPolarHBondContact CG-O 3.24Å; E320-K322 PolarHBondContact O-N 3.07Å; E320-G324 PolarHBondContact OE1-N 3.46Å; E320-L326 HydrophobicContact CB-CD2 3.9Å; E320-L326 HydrophobicContact CG-CD2 4.12Å |
| 321 | P | 86.4 | Confident | 91.5 | Very high | 88 Ų | 88 | 62 Ų | 62 | 57% | 0.571 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | -22.7 | -176.1 | 24.9 | -35.5 | 0 | 0 | 0 | 113.6 | T319 V325 M327 | T319-P321 VanDerWaalsContact C-CD 3.48Å; T319-P321 WeakPolarHBondContact O-CD 3.46Å; P321-V325 WeakPolarHBondContact CD-O 3.35Å; P321-M327 HydrophobicContact CG-CB 4.5Å; P321-M327 HydrophobicContact CG-CG 3.66Å |
| 322 | K | 85.5 | Confident | 91.3 | Very high | 158 Ų | 158 | 61.2 Ų | 61.2 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 141.9 | 172.3 | -65.2 | -177.9 | -179.2 | 179.9 | 0 | 108 | E320 G324 V325 | E320-K322 WeakPolarHBondContact CG-O 3.24Å; E320-K322 PolarHBondContact O-N 3.07Å; K322-G324 PolarHBondContact O-N 3.4Å; K322-G324 VanDerWaalsContact O-N 3.15Å; K322-V325 HydrophobicContact CB-CB 4.36Å; K322-V325 HydrophobicContact CB-CG2 4.36Å; K322-V325 PolarHBondContact O-N 2.84Å |
| 323 | S | 82.7 | Confident | 90.9 | Very high | 123 Ų | 123 | 57 Ų | 57 | 86% | 0.86 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 121.9 | 178.7 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | ||
| 324 | G | 78.9 | Confident | 90.3 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 68% | 0.68 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -6.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | E320 K322 | E320-G324 PolarHBondContact OE1-N 3.46Å; K322-G324 PolarHBondContact O-N 3.4Å; K322-G324 VanDerWaalsContact O-N 3.15Å |
| 325 | V | 86.2 | Confident | 90 | Very high | 55 Ų | 55 | 56 Ų | 56 | 33% | 0.333 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 100 | 179.9 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | P321 K322 | P321-V325 WeakPolarHBondContact CD-O 3.35Å; K322-V325 HydrophobicContact CB-CB 4.36Å; K322-V325 HydrophobicContact CB-CG2 4.36Å; K322-V325 PolarHBondContact O-N 2.84Å |
| 326 | L | 92.2 | Very high | 89.4 | Confident | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.2 | 175.5 | -66.5 | 169.2 | 0 | 0 | 0 | 111.5 | V275 G304 V318 T319 E320 | V275-L326 HydrophobicContact CB-CB 3.84Å; V275-L326 HydrophobicContact CG1-CB 4.46Å; V275-L326 HydrophobicContact CG2-CB 3.57Å; V275-L326 WeakPolarHBondContact CG2-O 3.2Å; V275-L326 PolarHBondContact N-O 3.16Å; G304-L326 VanDerWaalsContact CA-CD1 3.48Å; V318-L326 HydrophobicContact CG1-CB 4.13Å; V318-L326 HydrophobicContact CG1-CD2 4.11Å; T319-L326 WeakPolarHBondContact O-CA 3.24Å; E320-L326 HydrophobicContact CB-CD2 3.9Å; E320-L326 HydrophobicContact CG-CD2 4.12Å |
| 327 | M | 94.8 | Very high | 88.9 | Confident | 31 Ų | 31 | 63.5 Ų | 63.5 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.1 | 178.2 | -65.6 | -64.3 | -62.7 | 0 | 0 | 110.4 | P272 Q274 V318 T319 P321 | P272-M327 HydrophobicContact CB-CE 3.77Å; P272-M327 HydrophobicContact CG-CE 4.08Å; Q274-M327 HydrophobicContact CB-SD 4.2Å; Q274-M327 HydrophobicContact CG-CE 4.41Å; Q274-M327 HydrophobicContact CG-SD 3.49Å; Q274-M327 WeakPolarHBondContact CG-SD 3.43Å; V318-M327 CarbonylContact C-O 3.49Å; V318-M327 VanDerWaalsContact CA-O 3.22Å; V318-M327 WeakPolarHBondContact CA-O 3.31Å; V318-M327 WeakPolarHBondContact CG1-O 3.34Å; T319-M327 PolarHBondContact N-O 3.46Å; T319-M327 PolarHBondContact O-N 3.45Å; P321-M327 HydrophobicContact CG-CB 4.5Å; P321-M327 HydrophobicContact CG-CG 3.66Å |
| 328 | L | 94.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 113.5 | 168.6 | 174.8 | 65.7 | 0 | 0 | 0 | 108.8 | L271 P272 I273 V275 F278 V316 V318 I331 | L271-L328 HydrophobicContact CD2-CD2 4.32Å; L271-L328 HydrophobicContact CD2-CG 4.15Å; P272-L328 CarbonylContact C-O 3.54Å; P272-L328 VanDerWaalsContact CA-O 3.24Å; P272-L328 WeakPolarHBondContact CA-O 3.32Å; I273-L328 HydrophobicContact CG2-CB 3.93Å; I273-L328 HydrophobicContact CG2-CD2 4.01Å; I273-L328 HydrophobicContact CG2-CG 4.31Å; I273-L328 PolarHBondContact N-O 2.97Å; I273-L328 PolarHBondContact O-N 3.28Å; V275-L328 HydrophobicContact CG2-CB 4.48Å; F278-L328 HydrophobicContact CB-CD2 4.4Å; F278-L328 HydrophobicContact CD1-CD2 4.05Å; F278-L328 HydrophobicContact CD2-CD2 3.99Å; F278-L328 HydrophobicContact CE1-CD2 4.34Å; F278-L328 HydrophobicContact CE2-CD2 4.29Å; F278-L328 HydrophobicContact CG-CD2 3.85Å; F278-L328 HydrophobicContact CZ-CD2 4.44Å; V316-L328 HydrophobicContact CB-CD1 3.45Å; V316-L328 VanDerWaalsContact CB-CD1 3.45Å; V316-L328 HydrophobicContact CG1-CD1 3.54Å; V316-L328 HydrophobicContact CG2-CD1 4.27Å; V318-L328 HydrophobicContact CG2-CD1 4.21Å; L328-I331 HydrophobicContact CD1-CG1 4.43Å; L328-I331 HydrophobicContact CD2-CD1 4.12Å; L328-I331 HydrophobicContact CD2-CG1 4.16Å; L328-I331 HydrophobicContact CG-CG1 4.44Å |
| 329 | N | 94 | Very high | 87.3 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -36.1 | -171.3 | -67.2 | -16.8 | 0 | 0 | 0 | 113.6 | L271 P272 E317 T319 | L271-N329 WeakPolarHBondContact CB-O 3.48Å; P272-N329 VanDerWaalsContact CB-OD1 3.27Å; P272-N329 WeakPolarHBondContact CB-OD1 3.28Å; E317-N329 PolarHBondContact O-N 2.93Å; T319-N329 WeakPolarHBondContact CG2-ND2 3.4Å; T319-N329 PolarHBondContact OG1-ND2 3.4Å |
| 330 | H | 94.8 | Very high | 86.1 | Confident | 81 Ų | 81 | 59 Ų | 59 | 38% | 0.375 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148 | -176.6 | -179.8 | -121.3 | 0 | 0 | 0 | 110.2 | V316 E317 | V316-H330 CarbonylContact C-O 3.55Å; V316-H330 VanDerWaalsContact CA-O 3.28Å; V316-H330 WeakPolarHBondContact CA-O 3.43Å; E317-H330 HydrophobicContact CB-CB 3.9Å; E317-H330 HydrophobicContact CG-CB 4.02Å; E317-H330 PolarHBondContact N-O 3.32Å; E317-H330 PolarHBondContact O-N 3.3Å; E317-H330 IonicContact OE1-CE1 3.36Å; E317-H330 IonicContact OE1-CG 3.68Å; E317-H330 IonicContact OE1-ND1 3.34Å; E317-H330 PolarHBondContact OE1-ND1 3.37Å |
| 331 | I | 93.1 | Very high | 85.3 | Confident | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 120 | 174.6 | -63.5 | 171.3 | 0 | 0 | 0 | 107 | L263 I266 L271 V316 L328 K333 | L263-I331 HydrophobicContact CB-CG2 4.36Å; L263-I331 HydrophobicContact CD1-CG2 4.39Å; L263-I331 HydrophobicContact CD2-CD1 3.91Å; L263-I331 HydrophobicContact CD2-CG1 3.98Å; L263-I331 HydrophobicContact CD2-CG2 3.91Å; L263-I331 HydrophobicContact CG-CG2 4.46Å; I266-I331 HydrophobicContact CB-CD1 3.88Å; I266-I331 HydrophobicContact CD1-CD1 4.13Å; I266-I331 HydrophobicContact CG2-CD1 3.67Å; L271-I331 HydrophobicContact CD1-CB 4.41Å; L271-I331 HydrophobicContact CD1-CD1 4.16Å; L271-I331 HydrophobicContact CD1-CG1 3.99Å; L271-I331 HydrophobicContact CD2-CD1 4.14Å; L271-I331 HydrophobicContact CD2-CG1 4.45Å; V316-I331 HydrophobicContact CG1-CG1 4.29Å; L328-I331 HydrophobicContact CD1-CG1 4.43Å; L328-I331 HydrophobicContact CD2-CD1 4.12Å; L328-I331 HydrophobicContact CD2-CG1 4.16Å; L328-I331 HydrophobicContact CG-CG1 4.44Å; I331-K333 VanDerWaalsContact C-N 3.34Å; I331-K333 HydrophobicContact CG2-CD 4Å; I331-K333 HydrophobicContact CG2-CG 4.28Å; I331-K333 PolarHBondContact O-N 2.94Å |
| 332 | N | 89.8 | Confident | 84.6 | Confident | 52 Ų | 52 | 53.6 Ų | 53.6 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | trans | -73.1 | 88 | 171.4 | -177.9 | 2.3 | 0 | 0 | 0 | 110 | G314 F315 D334 H335 L338 | G314-N332 WeakPolarHBondContact O-CB 3.23Å; G314-N332 PolarHBondContact O-ND2 3.4Å; F315-N332 PolarHBondContact O-N 3.38Å; N332-D334 PolarHBondContact O-N 3.41Å; N332-D334 VanDerWaalsContact O-N 3.16Å; N332-D334 PolarHBondContact OD1-N 3.41Å; N332-D334 VanDerWaalsContact OD1-N 3.15Å; N332-H335 HydrophobicContact CB-CB 4.41Å; N332-H335 WeakPolarHBondContact O-CB 3.33Å; N332-H335 PolarHBondContact O-N 3.22Å; N332-H335 PolarHBondContact OD1-N 2.73Å; N332-L338 VanDerWaalsContact O-CD1 3.3Å; N332-L338 WeakPolarHBondContact O-CD1 3.36Å | ||
| 333 | K | 86 | Confident | 83.9 | Confident | 44 Ų | 44 | 47.4 Ų | 47.4 | 19% | 0.191 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.4 | 178.9 | -69 | -69.7 | -172 | 165.2 | 0 | 114 | L263 K264 I266 I331 | L263-K333 PolarHBondContact O-NZ 3.15Å; K264-K333 PolarHBondContact O-NZ 3.48Å; I266-K333 WeakPolarHBondContact O-CE 3.39Å; I266-K333 PolarHBondContact O-NZ 3.36Å; I331-K333 VanDerWaalsContact C-N 3.34Å; I331-K333 HydrophobicContact CG2-CD 4Å; I331-K333 HydrophobicContact CG2-CG 4.28Å; I331-K333 PolarHBondContact O-N 2.94Å |
| 334 | D | 79.6 | Confident | 83 | Confident | 72 Ų | 72 | 43.8 Ų | 43.8 | 39% | 0.385 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 3.8 | -178 | -62.9 | -19.8 | 0 | 0 | 0 | 112.1 | N332 I336 R398 N402 | N332-D334 PolarHBondContact O-N 3.41Å; N332-D334 VanDerWaalsContact O-N 3.16Å; N332-D334 PolarHBondContact OD1-N 3.41Å; N332-D334 VanDerWaalsContact OD1-N 3.15Å; D334-I336 PolarHBondContact O-N 3.41Å; D334-R398 WeakPolarHBondContact OD1-CD 3.48Å; D334-R398 IonicContact OD1-CZ 3.97Å; D334-R398 IonicContact OD1-NE 3.72Å; D334-R398 IonicContact OD1-NH1 2.78Å; D334-R398 PolarHBondContact OD1-NH1 2.87Å; D334-N402 PolarHBondContact OD2-ND2 3.1Å |
| 335 | H | 86.2 | Confident | 81.9 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 12% | 0.116 | 24% | 0.238 | C | C | . | . | trans | -55.4 | 137.4 | 176.5 | -165.1 | -86.2 | 0 | 0 | 0 | 111.5 | E313 F315 N332 E337 L338 | E313-H335 PolarHBondContact O-NE2 3.33Å; E313-H335 VanDerWaalsContact O-NE2 3.16Å; F315-H335 HydrophobicContact CD1-CB 4.12Å; F315-H335 AromaticContact CD1-CG 3.69Å; F315-H335 AromaticContact CD1-ND1 3.64Å; F315-H335 HydrophobicContact CE1-CB 4.29Å; F315-H335 AromaticContact CE1-CE1 3.5Å; F315-H335 VanDerWaalsContact CE1-CE1 3.5Å; F315-H335 WeakPolarHBondContact CE1-CE1 3.37Å; F315-H335 AromaticContact CE1-CG 3.64Å; F315-H335 AromaticContact CE1-ND1 3.07Å; F315-H335 WeakPolarHBondContact CE1-ND1 3.48Å; F315-H335 AromaticContact CE2-CE1 3.5Å; F315-H335 VanDerWaalsContact CE2-CE1 3.5Å; F315-H335 WeakPolarHBondContact CE2-CE1 3.16Å; F315-H335 AromaticContact CE2-ND1 3.97Å; F315-H335 AromaticContact CE2-NE2 3.89Å; F315-H335 AromaticContact CZ-CE1 3.17Å; F315-H335 WeakPolarHBondContact CZ-CE1 3.45Å; F315-H335 AromaticContact CZ-ND1 3.28Å; F315-H335 VanDerWaalsContact CZ-ND1 3.28Å; F315-H335 WeakPolarHBondContact CZ-ND1 3.5Å; F315-H335 AromaticContact CZ-NE2 3.98Å; N332-H335 HydrophobicContact CB-CB 4.41Å; N332-H335 WeakPolarHBondContact O-CB 3.33Å; N332-H335 PolarHBondContact O-N 3.22Å; N332-H335 PolarHBondContact OD1-N 2.73Å; H335-E337 PolarHBondContact ND1-N 3.2Å; H335-E337 PolarHBondContact O-N 3.14Å; H335-L338 HydrophobicContact CB-CD1 4.25Å; H335-L338 HydrophobicContact CB-CG 4.41Å; H335-L338 PolarHBondContact O-N 2.92Å | ||
| 336 | I | 80.2 | Confident | 80.5 | Confident | 92 Ų | 92 | 43.9 Ų | 43.9 | 47% | 0.472 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -57.3 | -37 | -172.5 | -171.8 | 163.1 | 0 | 0 | 0 | 112.6 | D334 L338 R339 | D334-I336 PolarHBondContact O-N 3.41Å; I336-L338 VanDerWaalsContact C-N 3.32Å; I336-L338 PolarHBondContact O-N 3.24Å; I336-R339 WeakPolarHBondContact O-CB 3.31Å; I336-R339 VanDerWaalsContact O-CD 3.27Å; I336-R339 WeakPolarHBondContact O-CD 3.45Å; I336-R339 WeakPolarHBondContact O-CG 3.29Å; I336-R339 PolarHBondContact O-N 3.11Å |
| 337 | E | 83.6 | Confident | 78.8 | Confident | 70 Ų | 70 | 44.6 Ų | 44.6 | 33% | 0.327 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -79.3 | -10.9 | -178.5 | -61.9 | -165.4 | -131.2 | 0 | 0 | 115 | R256 L260 F315 H335 V341 | R256-E337 IonicContact CZ-OE1 2.68Å; R256-E337 IonicContact CZ-OE2 3.03Å; R256-E337 IonicContact NH1-OE1 3.65Å; R256-E337 IonicContact NH1-OE2 3.54Å; R256-E337 PolarHBondContact NH1-OE2 3.32Å; R256-E337 IonicContact NH2-OE1 3.56Å; R256-E337 PolarHBondContact NH2-OE1 3.26Å; R256-E337 IonicContact NH2-OE2 2.6Å; R256-E337 PolarHBondContact NH2-OE2 2.98Å; L260-E337 HydrophobicContact CD2-CB 4.26Å; F315-E337 HydrophobicContact CE1-CB 3.9Å; F315-E337 HydrophobicContact CZ-CB 3.79Å; F315-E337 HydrophobicContact CZ-CG 4.17Å; H335-E337 PolarHBondContact ND1-N 3.2Å; H335-E337 PolarHBondContact O-N 3.14Å; E337-V341 VanDerWaalsContact O-CG2 3.26Å; E337-V341 WeakPolarHBondContact O-CG2 3.1Å |
| 338 | L | 83.7 | Confident | 76.9 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -80.5 | -7.8 | 169.4 | -70.7 | 174.7 | 0 | 0 | 0 | 112.1 | L260 L263 K264 N332 H335 I336 G340 V341 | L260-L338 HydrophobicContact CB-CD2 4.15Å; L260-L338 HydrophobicContact CD2-CD2 3.78Å; L260-L338 HydrophobicContact CD2-CG 4.34Å; L260-L338 WeakPolarHBondContact O-CD2 3.4Å; L263-L338 HydrophobicContact CB-CD1 4.42Å; L263-L338 HydrophobicContact CB-CD2 3.87Å; L263-L338 HydrophobicContact CD1-CD1 4.21Å; L263-L338 HydrophobicContact CD1-CD2 4.09Å; K264-L338 WeakPolarHBondContact CE-O 3.46Å; K264-L338 PolarHBondContact NZ-O 3.35Å; K264-L338 VanDerWaalsContact NZ-O 3.08Å; N332-L338 VanDerWaalsContact O-CD1 3.3Å; N332-L338 WeakPolarHBondContact O-CD1 3.36Å; H335-L338 HydrophobicContact CB-CD1 4.25Å; H335-L338 HydrophobicContact CB-CG 4.41Å; H335-L338 PolarHBondContact O-N 2.92Å; I336-L338 VanDerWaalsContact C-N 3.32Å; I336-L338 PolarHBondContact O-N 3.24Å; L338-G340 PolarHBondContact O-N 3.04Å; L338-V341 PolarHBondContact O-N 2.88Å |
| 339 | R | 75.2 | Confident | 74.9 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 22% | 0.219 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 130.1 | 178.7 | -64.3 | 171.1 | -172.5 | -179.7 | 6.2 | 109.8 | I336 V341 F383 Y385 | I336-R339 WeakPolarHBondContact O-CB 3.31Å; I336-R339 VanDerWaalsContact O-CD 3.27Å; I336-R339 WeakPolarHBondContact O-CD 3.45Å; I336-R339 WeakPolarHBondContact O-CG 3.29Å; I336-R339 PolarHBondContact O-N 3.11Å; R339-V341 PolarHBondContact O-N 3.19Å; R339-V341 VanDerWaalsContact O-N 3.13Å; R339-F383 PolarHBondContact NH1-O 3.49Å; R339-F383 PolarHBondContact NH2-O 2.82Å; R339-Y385 HydrophobicContact CG-CE1 4.3Å; R339-Y385 PolarHBondContact NE-OH 2.72Å |
| 340 | G | 68.8 | Low | 72.8 | Confident | 26 Ų | 26 | 55 Ų | 55 | 27% | 0.268 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | -1.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L338 T342 | L338-G340 PolarHBondContact O-N 3.04Å; G340-T342 PolarHBondContact O-N 3.19Å |
| 341 | V | 76.2 | Confident | 70.5 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | trans | -67.1 | 115.9 | 171.8 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | L260 K261 K264 E337 L338 R339 | L260-V341 HydrophobicContact CB-CG1 4.22Å; L260-V341 HydrophobicContact CB-CG2 4.14Å; L260-V341 HydrophobicContact CD1-CG2 4.4Å; K261-V341 HydrophobicContact CB-CG1 4.49Å; K261-V341 HydrophobicContact CG-CG1 3.81Å; K264-V341 HydrophobicContact CG-CB 4.37Å; K264-V341 HydrophobicContact CG-CG1 4.26Å; E337-V341 VanDerWaalsContact O-CG2 3.26Å; E337-V341 WeakPolarHBondContact O-CG2 3.1Å; L338-V341 PolarHBondContact O-N 2.88Å; R339-V341 PolarHBondContact O-N 3.19Å; R339-V341 VanDerWaalsContact O-N 3.13Å | ||
| 342 | T | 70.3 | Confident | 68.4 | Low | 36 Ų | 36 | 64.2 Ų | 64.2 | 22% | 0.221 | 36% | 0.359 | C | S | . | . | trans | -103.2 | 144 | 177 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | G340 | G340-T342 PolarHBondContact O-N 3.19Š| ||
| 343 | V | 72 | Confident | 66.6 | Low | 27 Ų | 27 | 70 Ų | 70 | 16% | 0.164 | 39% | 0.385 | C | S | . | . | trans | -112.7 | 121.5 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 109 | K261 K264 L265 | K261-V343 HydrophobicContact CB-CG2 4.2Å; K264-V343 HydrophobicContact CB-CG2 3.83Å; L265-V343 HydrophobicContact CD1-CG1 4.11Å; L265-V343 HydrophobicContact CD2-CB 4.35Å; L265-V343 HydrophobicContact CD2-CG1 3.78Å; L265-V343 HydrophobicContact CG-CG1 3.96Å; L265-V343 HydrophobicContact CG-CG2 4.34Å | ||
| 344 | P | 63.2 | Low | 65.5 | Low | 48 Ų | 48 | 72.5 Ų | 72.5 | 31% | 0.312 | 40% | 0.396 | S | S | . | . | trans | -58.7 | 138.7 | 178.2 | -23.4 | 32.3 | 0 | 0 | 0 | 112.3 | S346 I347 | P344-S346 PolarHBondContact O-N 2.81Å; P344-I347 PolarHBondContact O-N 2.93Å | ||
| 345 | A | 56.7 | Low | 65 | Low | 52 Ų | 52 | 77.2 Ų | 77.2 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64 | -25.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I347 T348 N349 | A345-I347 PolarHBondContact O-N 3Å; A345-T348 WeakPolarHBondContact CA-OG1 3.33Å; A345-T348 PolarHBondContact O-N 2.69Å; A345-T348 VanDerWaalsContact O-N 3.11Å; A345-T348 PolarHBondContact O-OG1 3.06Å; A345-N349 PolarHBondContact O-N 2.82Å |
| 346 | S | 55.7 | Low | 64.9 | Low | 70 Ų | 70 | 79 Ų | 79 | 49% | 0.49 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.9 | -31.5 | 177.4 | 44.6 | 0 | 0 | 0 | 0 | 113 | P344 N349 | P344-S346 PolarHBondContact O-N 2.81Å; S346-N349 CarbonylContact O-C 3.59Å |
| 347 | I | 56.4 | Low | 64.8 | Low | 52 Ų | 52 | 75.3 Ų | 75.3 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -81.1 | -29.4 | 179.8 | -58 | 175.2 | 0 | 0 | 0 | 111.1 | L265 V285 H286 P344 A345 N349 | L265-I347 HydrophobicContact CD1-CG2 4.49Å; V285-I347 HydrophobicContact CB-CG2 4.25Å; V285-I347 HydrophobicContact CG2-CG2 3.99Å; H286-I347 WeakPolarHBondContact ND1-CD1 3.41Å; P344-I347 PolarHBondContact O-N 2.93Å; A345-I347 PolarHBondContact O-N 3Å; I347-N349 VanDerWaalsContact C-N 3.28Å; I347-N349 PolarHBondContact O-N 3.29Å |
| 348 | T | 54.8 | Low | 64.3 | Low | 78 Ų | 78 | 75.3 Ų | 75.3 | 48% | 0.479 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -72.7 | -19.3 | 175 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | L265 A345 | L265-T348 HydrophobicContact CD2-CG2 3.7Å; A345-T348 WeakPolarHBondContact CA-OG1 3.33Å; A345-T348 PolarHBondContact O-N 2.69Å; A345-T348 VanDerWaalsContact O-N 3.11Å; A345-T348 PolarHBondContact O-OG1 3.06Å |
| 349 | N | 52.1 | Low | 64.4 | Low | 117 Ų | 117 | 79 Ų | 79 | 63% | 0.626 | 44% | 0.441 | S | S | * | . | trans | -140.7 | 80.2 | 178.2 | -94.3 | -26.7 | 0 | 0 | 0 | 111.3 | A345 S346 I347 K351 | A345-N349 PolarHBondContact O-N 2.82Å; S346-N349 CarbonylContact O-C 3.59Å; I347-N349 VanDerWaalsContact C-N 3.28Å; I347-N349 PolarHBondContact O-N 3.29Å; N349-K351 PolarHBondContact O-N 3.46Å | ||
| 350 | P | 50.4 | Low | 65 | Low | 112 Ų | 112 | 76.4 Ų | 76.4 | 73% | 0.727 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 1.4 | -173.5 | 27 | -34.8 | 0 | 0 | 0 | 115.3 | ||
| 351 | K | 45.6 | Very low | 65.6 | Low | 202 Ų | 202 | 80 Ų | 80 | 88% | 0.878 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 6.2 | -174.1 | -70.7 | -170.5 | 177.9 | -176.5 | 0 | 115.1 | N349 | N349-K351 PolarHBondContact O-N 3.46Š|
| 352 | V | 49.5 | Very low | 66 | Low | 78 Ų | 78 | 78.4 Ų | 78.4 | 47% | 0.473 | 43% | 0.434 | S | S | . | . | trans | -124.2 | 98.2 | -176.4 | -166.9 | 0 | 0 | 0 | 0 | 109.4 | F354 | V352-F354 HydrophobicContact CB-CD2 4.38Å; V352-F354 HydrophobicContact CB-CE1 4.17Å; V352-F354 HydrophobicContact CB-CE2 3.77Å; V352-F354 HydrophobicContact CB-CZ 3.65Å; V352-F354 HydrophobicContact CG1-CD1 3.78Å; V352-F354 HydrophobicContact CG1-CD2 4.2Å; V352-F354 HydrophobicContact CG1-CE1 3.37Å; V352-F354 HydrophobicContact CG1-CE2 3.82Å; V352-F354 HydrophobicContact CG1-CG 4.18Å; V352-F354 HydrophobicContact CG1-CZ 3.4Å; V352-F354 HydrophobicContact CG2-CZ 4.46Å; V352-F354 WeakPolarHBondContact O-CD2 3.05Å; V352-F354 WeakPolarHBondContact O-CE2 3.33Å; V352-F354 PolarHBondContact O-N 2.94Å | ||
| 353 | E | 52.4 | Low | 66.9 | Low | 175 Ų | 175 | 78.3 Ų | 78.3 | 82% | 0.818 | 43% | 0.434 | S | S | * | . | trans | -70.2 | 115.7 | 161.9 | -85.3 | -176.3 | 155.7 | 0 | 0 | 108 | ||||
| 354 | F | 62.3 | Low | 67.6 | Low | 96 Ų | 96 | 77.7 Ų | 77.7 | 42% | 0.421 | 43% | 0.43 | S | S | . | . | trans | -94.2 | 115.3 | 177.5 | -61.9 | -83.4 | 0 | 0 | 0 | 109.4 | V352 W356 | V352-F354 HydrophobicContact CB-CD2 4.38Å; V352-F354 HydrophobicContact CB-CE1 4.17Å; V352-F354 HydrophobicContact CB-CE2 3.77Å; V352-F354 HydrophobicContact CB-CZ 3.65Å; V352-F354 HydrophobicContact CG1-CD1 3.78Å; V352-F354 HydrophobicContact CG1-CD2 4.2Å; V352-F354 HydrophobicContact CG1-CE1 3.37Å; V352-F354 HydrophobicContact CG1-CE2 3.82Å; V352-F354 HydrophobicContact CG1-CG 4.18Å; V352-F354 HydrophobicContact CG1-CZ 3.4Å; V352-F354 HydrophobicContact CG2-CZ 4.46Å; V352-F354 WeakPolarHBondContact O-CD2 3.05Å; V352-F354 WeakPolarHBondContact O-CE2 3.33Å; V352-F354 PolarHBondContact O-N 2.94Å; F354-W356 HydrophobicContact CB-CD2 4.08Å; F354-W356 VanDerWaalsContact CB-CE2 3.43Å; F354-W356 HydrophobicContact CB-CH2 3.8Å; F354-W356 HydrophobicContact CB-CZ2 3.3Å; F354-W356 HydrophobicContact CB-CZ3 4.37Å; F354-W356 AromaticContact CD1-CH2 3.41Å; F354-W356 HydrophobicContact CD1-CH2 3.41Å; F354-W356 VanDerWaalsContact CD1-CH2 3.41Å; F354-W356 AromaticContact CD1-CZ2 3.63Å; F354-W356 HydrophobicContact CD1-CZ2 3.63Å; F354-W356 HydrophobicContact CD1-CZ3 4.24Å; F354-W356 HydrophobicContact CD2-CZ2 4.17Å; F354-W356 HydrophobicContact CE1-CH2 4.14Å; F354-W356 HydrophobicContact CE1-CZ2 4.47Å; F354-W356 AromaticContact CG-CH2 3.76Å; F354-W356 HydrophobicContact CG-CH2 3.76Å; F354-W356 AromaticContact CG-CZ2 3.44Å; F354-W356 HydrophobicContact CG-CZ2 3.44Å; F354-W356 VanDerWaalsContact CG-CZ2 3.44Å; F354-W356 PolarHBondContact O-N 3.3Å | ||
| 355 | H | 70.5 | Confident | 68.7 | Low | 170 Ų | 170 | 78.8 Ų | 78.8 | 79% | 0.787 | 43% | 0.431 | S | S | * | . | trans | -92 | 95 | 168.9 | -74.2 | -43.4 | 0 | 0 | 0 | 110 | ||||
| 356 | W | 82.9 | Confident | 70.2 | Confident | 62 Ų | 62 | 77.2 Ų | 77.2 | 24% | 0.235 | 42% | 0.415 | C | S | . | . | trans | -76.2 | 151.1 | 175.8 | -57.4 | 129.2 | 0 | 0 | 0 | 111.9 | F354 G358 Y360 M361 G362 P363 S559 | F354-W356 HydrophobicContact CB-CD2 4.08Å; F354-W356 VanDerWaalsContact CB-CE2 3.43Å; F354-W356 HydrophobicContact CB-CH2 3.8Å; F354-W356 HydrophobicContact CB-CZ2 3.3Å; F354-W356 HydrophobicContact CB-CZ3 4.37Å; F354-W356 AromaticContact CD1-CH2 3.41Å; F354-W356 HydrophobicContact CD1-CH2 3.41Å; F354-W356 VanDerWaalsContact CD1-CH2 3.41Å; F354-W356 AromaticContact CD1-CZ2 3.63Å; F354-W356 HydrophobicContact CD1-CZ2 3.63Å; F354-W356 HydrophobicContact CD1-CZ3 4.24Å; F354-W356 HydrophobicContact CD2-CZ2 4.17Å; F354-W356 HydrophobicContact CE1-CH2 4.14Å; F354-W356 HydrophobicContact CE1-CZ2 4.47Å; F354-W356 AromaticContact CG-CH2 3.76Å; F354-W356 HydrophobicContact CG-CH2 3.76Å; F354-W356 AromaticContact CG-CZ2 3.44Å; F354-W356 HydrophobicContact CG-CZ2 3.44Å; F354-W356 VanDerWaalsContact CG-CZ2 3.44Å; F354-W356 PolarHBondContact O-N 3.3Å; W356-G358 PolarHBondContact O-N 3.5Å; W356-Y360 HydrophobicContact CB-CD1 3.92Å; W356-Y360 WeakPolarHBondContact CB-O 3.27Å; W356-Y360 HydrophobicContact CD2-CD1 4.27Å; W356-Y360 HydrophobicContact CD2-CE1 4.41Å; W356-Y360 HydrophobicContact CE3-CD1 4.31Å; W356-Y360 HydrophobicContact CE3-CE1 4.26Å; W356-Y360 HydrophobicContact CG-CD1 4.12Å; W356-M361 PolarHBondContact NE1-O 3.37Å; W356-G362 VanDerWaalsContact CE2-CA 3.48Å; W356-P363 HydrophobicContact CH2-CG 4.18Å; W356-P363 VanDerWaalsContact CZ2-CD 3.42Å; W356-P363 HydrophobicContact CZ2-CG 4.33Å; W356-S559 WeakPolarHBondContact CH2-OG 3.29Å; W356-S559 VanDerWaalsContact CZ3-OG 3.29Å; W356-S559 WeakPolarHBondContact CZ3-OG 3.33Å | ||
| 357 | P | 78.2 | Confident | 71.7 | Confident | 16 Ų | 16 | 77.1 Ų | 77.1 | 10% | 0.104 | 41% | 0.407 | C | S | . | . | trans | -65.1 | 118.7 | 174.6 | -20 | 32.7 | 0 | 0 | 0 | 111.7 | D359 Y360 S557 Y558 | P357-D359 PolarHBondContact O-N 2.84Å; P357-Y360 WeakPolarHBondContact O-CB 3.34Å; P357-Y360 PolarHBondContact O-N 3.16Å; P357-S557 WeakPolarHBondContact CD-O 3.46Å; P357-Y558 HydrophobicContact CB-CE1 4.24Å; P357-Y558 HydrophobicContact CG-CD1 4.4Å; P357-Y558 HydrophobicContact CG-CD2 4.38Å; P357-Y558 HydrophobicContact CG-CE1 3.98Å; P357-Y558 HydrophobicContact CG-CE2 3.96Å | ||
| 358 | G | 74.5 | Confident | 73.3 | Confident | 70 Ų | 70 | 78.8 Ų | 78.8 | 72% | 0.722 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | -117.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115 | W356 Y360 | W356-G358 PolarHBondContact O-N 3.5Å; G358-Y360 PolarHBondContact O-N 3.39Å |
| 359 | D | 84 | Confident | 74.9 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 42% | 0.422 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 6.6 | -177 | 59.1 | -31.5 | 0 | 0 | 0 | 114.4 | P357 N510 S513 | P357-D359 PolarHBondContact O-N 2.84Å; D359-N510 WeakPolarHBondContact OD2-CB 3.2Å; D359-N510 VanDerWaalsContact OD2-CG 3.3Å; D359-N510 PolarHBondContact OD2-ND2 2.65Å; D359-S513 VanDerWaalsContact OD1-CB 3.23Å; D359-S513 WeakPolarHBondContact OD1-CB 3.47Å; D359-S513 PolarHBondContact OD1-OG 3.48Å |
| 360 | Y | 87.8 | Confident | 76.8 | Confident | 5 Ų | 5 | 71.5 Ų | 71.5 | 2% | 0.02 | 37% | 0.372 | C | S | . | . | trans | -88.5 | 124.4 | 179.9 | -174.2 | -128 | 0 | 0 | 0 | 112.4 | W356 P357 G358 G362 P363 F507 I509 Y558 I560 | W356-Y360 HydrophobicContact CB-CD1 3.92Å; W356-Y360 WeakPolarHBondContact CB-O 3.27Å; W356-Y360 HydrophobicContact CD2-CD1 4.27Å; W356-Y360 HydrophobicContact CD2-CE1 4.41Å; W356-Y360 HydrophobicContact CE3-CD1 4.31Å; W356-Y360 HydrophobicContact CE3-CE1 4.26Å; W356-Y360 HydrophobicContact CG-CD1 4.12Å; P357-Y360 WeakPolarHBondContact O-CB 3.34Å; P357-Y360 PolarHBondContact O-N 3.16Å; G358-Y360 PolarHBondContact O-N 3.39Å; Y360-G362 VanDerWaalsContact CE1-CA 3.46Å; Y360-G362 WeakPolarHBondContact CE2-O 3.31Å; Y360-G362 VanDerWaalsContact CZ-O 3.25Å; Y360-G362 PolarHBondContact OH-O 3.08Å; Y360-P363 WeakPolarHBondContact OH-CA 3.46Å; Y360-P363 VanDerWaalsContact OH-N 3.15Å; Y360-F507 VanDerWaalsContact CE2-O 3.31Å; Y360-F507 WeakPolarHBondContact CE2-O 3.38Å; Y360-I509 HydrophobicContact CD2-CG1 4.02Å; Y360-I509 HydrophobicContact CE2-CG1 3.67Å; Y360-Y558 AromaticContact CD1-CD1 3.43Å; Y360-Y558 HydrophobicContact CD1-CD1 3.43Å; Y360-Y558 VanDerWaalsContact CD1-CD1 3.43Å; Y360-Y558 HydrophobicContact CD1-CE1 4Å; Y360-Y558 HydrophobicContact CD1-CG 4.35Å; Y360-Y558 HydrophobicContact CD2-CD1 4.3Å; Y360-Y558 AromaticContact CE1-CD1 3.56Å; Y360-Y558 HydrophobicContact CE1-CD1 3.56Å; Y360-Y558 HydrophobicContact CE1-CG 4.21Å; Y360-Y558 WeakPolarHBondContact CE1-O 3.39Å; Y360-Y558 HydrophobicContact CE2-CD1 4.43Å; Y360-Y558 AromaticContact CG-CD1 3.8Å; Y360-Y558 HydrophobicContact CG-CD1 3.8Å; Y360-Y558 AromaticContact CG-CE1 4Å; Y360-Y558 HydrophobicContact CG-CE1 4Å; Y360-Y558 PolarHBondContact OH-O 3.18Å; Y360-I560 WeakPolarHBondContact OH-CD1 3.37Å | ||
| 361 | M | 81.5 | Confident | 78.7 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 49% | 0.493 | 34% | 0.339 | S | S | . | . | trans | -89.1 | -4 | -177.6 | -63.6 | -66.6 | 99.7 | 0 | 0 | 113.7 | W356 P470 D471 | W356-M361 PolarHBondContact NE1-O 3.37Å; M361-P470 WeakPolarHBondContact O-CB 3.28Å; M361-P470 WeakPolarHBondContact O-CG 3.07Å; M361-D471 HydrophobicContact CB-CB 4.17Å; M361-D471 HydrophobicContact CG-CB 4Å | ||
| 362 | G | 85.2 | Confident | 80.9 | Confident | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | 113.7 | 170 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | W356 Y360 | W356-G362 VanDerWaalsContact CE2-CA 3.48Å; Y360-G362 VanDerWaalsContact CE1-CA 3.46Å; Y360-G362 WeakPolarHBondContact CE2-O 3.31Å; Y360-G362 VanDerWaalsContact CZ-O 3.25Å; Y360-G362 PolarHBondContact OH-O 3.08Å | ||
| 363 | P | 88.3 | Confident | 82.8 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 22% | 0.221 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 139.5 | -175.5 | 28.2 | -35.1 | 0 | 0 | 0 | 111.9 | W356 Y360 I560 | W356-P363 HydrophobicContact CH2-CG 4.18Å; W356-P363 VanDerWaalsContact CZ2-CD 3.42Å; W356-P363 HydrophobicContact CZ2-CG 4.33Å; Y360-P363 WeakPolarHBondContact OH-CA 3.46Å; Y360-P363 VanDerWaalsContact OH-N 3.15Å; P363-I560 HydrophobicContact CB-CD1 4.21Å |
| 364 | P | 87 | Confident | 84.4 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 147.6 | 171.4 | 27.1 | -32.5 | 0 | 0 | 0 | 111.4 | I366 I467 T468 Y469 F507 | P364-I366 HydrophobicContact CG-CG1 4.47Å; P364-I467 HydrophobicContact CB-CG2 3.58Å; P364-I467 HydrophobicContact CG-CG2 4.25Å; P364-T468 CarbonylContact C-O 3.56Å; P364-T468 VanDerWaalsContact CA-O 3.3Å; P364-T468 WeakPolarHBondContact CA-O 3.14Å; P364-Y469 HydrophobicContact CB-CD1 3.65Å; P364-Y469 HydrophobicContact CB-CE1 3.73Å; P364-Y469 HydrophobicContact CB-CG 4.27Å; P364-Y469 HydrophobicContact CG-CD1 4.21Å; P364-Y469 HydrophobicContact CG-CE1 3.93Å; P364-F507 HydrophobicContact CG-CD1 3.73Å; P364-F507 HydrophobicContact CG-CE1 4.33Å |
| 365 | Q | 86.1 | Confident | 85.5 | Confident | 70 Ų | 70 | 50.6 Ų | 50.6 | 33% | 0.327 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 122.3 | 163.3 | -66.1 | -169 | -40.4 | 0 | 0 | 109.2 | I467 T468 | Q365-I467 CarbonylContact O-C 3.47Å; Q365-I467 WeakPolarHBondContact O-CA 3.2Å; Q365-T468 PolarHBondContact N-O 2.96Å; Q365-T468 PolarHBondContact O-N 2.82Å |
| 366 | I | 89.2 | Confident | 86.5 | Confident | 19 Ų | 19 | 42.5 Ų | 42.5 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 112 | 178.8 | -56.9 | 173.6 | 0 | 0 | 0 | 108.1 | P364 Y465 R466 I467 P484 F507 F564 | P364-I366 HydrophobicContact CG-CG1 4.47Å; I366-Y465 HydrophobicContact CG2-CD1 4.14Å; I366-Y465 HydrophobicContact CG2-CG 4.44Å; I366-R466 WeakPolarHBondContact CA-O 3.42Å; I366-I467 HydrophobicContact CG1-CG1 4.35Å; I366-I467 HydrophobicContact CG1-CG2 4.26Å; I366-P484 HydrophobicContact CD1-CG 3.85Å; I366-F507 HydrophobicContact CD1-CE1 3.87Å; I366-F507 HydrophobicContact CD1-CZ 4.32Å; I366-F564 HydrophobicContact CB-CE1 4.36Å; I366-F564 HydrophobicContact CB-CE2 4.29Å; I366-F564 HydrophobicContact CB-CZ 3.75Å; I366-F564 HydrophobicContact CD1-CD1 4.08Å; I366-F564 HydrophobicContact CD1-CD2 4.11Å; I366-F564 HydrophobicContact CD1-CE1 3.83Å; I366-F564 HydrophobicContact CD1-CE2 3.85Å; I366-F564 HydrophobicContact CD1-CG 4.22Å; I366-F564 HydrophobicContact CD1-CZ 3.7Å; I366-F564 HydrophobicContact CG1-CE2 4.46Å; I366-F564 HydrophobicContact CG1-CZ 4.24Å; I366-F564 HydrophobicContact CG2-CE1 4.19Å; I366-F564 HydrophobicContact CG2-CZ 4.01Å |
| 367 | E | 86.3 | Confident | 87 | Confident | 69 Ų | 69 | 40.6 Ų | 40.6 | 32% | 0.322 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.3 | 179.2 | -179.4 | -171.6 | -164 | 0 | 0 | 110.5 | I369 Y465 R466 | E367-I369 HydrophobicContact CG-CG2 4.13Å; E367-I369 PolarHBondContact O-N 3.36Å; E367-Y465 CarbonylContact O-C 3.56Å; E367-Y465 VanDerWaalsContact O-CA 3.3Å; E367-Y465 WeakPolarHBondContact O-CA 3.17Å; E367-R466 HydrophobicContact CB-CB 4.33Å; E367-R466 PolarHBondContact N-O 2.77Å; E367-R466 PolarHBondContact O-N 3.12Å; E367-R466 IonicContact OE1-NH1 3.96Å; E367-R466 IonicContact OE2-CZ 3.92Å; E367-R466 IonicContact OE2-NH1 3.06Å; E367-R466 PolarHBondContact OE2-NH1 3.09Å |
| 368 | D | 89.9 | Confident | 87.6 | Confident | 87 Ų | 87 | 42 Ų | 42 | 47% | 0.465 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 123.1 | 172.7 | -61.9 | -16.9 | 0 | 0 | 0 | 109.9 | Y465 | D368-Y465 WeakPolarHBondContact OD1-CD1 3.19Å; D368-Y465 WeakPolarHBondContact OD1-CE1 3.17Å |
| 369 | I | 90.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 169.7 | -178.8 | 57.4 | 159.3 | 0 | 0 | 0 | 111.1 | E367 C390 A464 R466 I477 | E367-I369 HydrophobicContact CG-CG2 4.13Å; E367-I369 PolarHBondContact O-N 3.36Å; I369-C390 HydrophobicContact CD1-CB 3.71Å; I369-A464 HydrophobicContact CD1-CB 4.23Å; I369-A464 HydrophobicContact CG1-CB 4.07Å; I369-A464 WeakPolarHBondContact CG1-O 3.22Å; I369-A464 PolarHBondContact N-O 3.1Å; I369-A464 PolarHBondContact O-N 3.17Å; I369-R466 HydrophobicContact CD1-CB 3.96Å; I369-R466 HydrophobicContact CG1-CB 4.25Å; I369-R466 HydrophobicContact CG2-CB 3.9Å; I369-I477 HydrophobicContact CD1-CD1 3.8Å; I369-I477 HydrophobicContact CD1-CG2 4.25Å |
| 370 | R | 91.7 | Very high | 89 | Confident | 41 Ų | 41 | 35 Ų | 35 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.2 | 178.1 | -64.5 | -62.4 | 176.9 | 157.6 | -3.9 | 109.1 | C390 I391 L458 L461 T462 T463 | R370-C390 CarbonylContact O-C 3.5Å; R370-C390 VanDerWaalsContact O-CA 3.31Å; R370-C390 WeakPolarHBondContact O-CA 3.11Å; R370-I391 HydrophobicContact CB-CG2 3.88Å; R370-I391 PolarHBondContact N-O 3.35Å; R370-I391 PolarHBondContact O-N 3.46Å; R370-L458 PolarHBondContact NH1-O 3.37Å; R370-L461 HydrophobicContact CB-CB 3.83Å; R370-L461 HydrophobicContact CB-CD1 3.84Å; R370-L461 HydrophobicContact CB-CG 4.42Å; R370-L461 HydrophobicContact CG-CB 4.21Å; R370-L461 HydrophobicContact CG-CD1 4.14Å; R370-T462 CarbonylContact C-O 3.52Å; R370-T462 VanDerWaalsContact CA-O 3.31Å; R370-T462 WeakPolarHBondContact CA-O 3.41Å; R370-T463 PolarHBondContact NH1-OG1 3.22Å |
| 371 | I | 90.3 | Very high | 89.2 | Confident | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.5 | 173.7 | -50.8 | 176.6 | 0 | 0 | 0 | 108.2 | K373 G388 E389 T462 A464 I477 N479 | I371-K373 HydrophobicContact CG2-CD 4.33Å; I371-K373 HydrophobicContact CG2-CG 4.16Å; I371-K373 PolarHBondContact O-N 3.41Å; I371-G388 WeakPolarHBondContact CG2-O 3.33Å; I371-E389 WeakPolarHBondContact CA-O 2.92Å; I371-T462 PolarHBondContact N-O 3.49Å; I371-T462 PolarHBondContact O-N 3.31Å; I371-T462 VanDerWaalsContact O-N 3.14Å; I371-A464 HydrophobicContact CD1-CB 3.74Å; I371-A464 HydrophobicContact CG1-CB 3.9Å; I371-I477 HydrophobicContact CD1-CG2 4.42Å; I371-N479 HydrophobicContact CD1-CB 4.2Å |
| 372 | I | 91.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -74.9 | 112.6 | -177.7 | -59.7 | 168.1 | 0 | 0 | 0 | 109 | T377 F380 Y385 G388 E389 I391 L461 | I372-T377 HydrophobicContact CG2-CG2 4.07Å; I372-F380 HydrophobicContact CD1-CB 4.01Å; I372-F380 HydrophobicContact CD1-CD1 4Å; I372-F380 HydrophobicContact CD1-CG 3.97Å; I372-F380 HydrophobicContact CG1-CD1 4.5Å; I372-F380 HydrophobicContact CG1-CD2 4.43Å; I372-F380 HydrophobicContact CG1-CG 4.26Å; I372-F380 HydrophobicContact CG2-CB 3.9Å; I372-F380 HydrophobicContact CG2-CD2 4.01Å; I372-F380 HydrophobicContact CG2-CG 4.11Å; I372-Y385 HydrophobicContact CD1-CD1 3.63Å; I372-Y385 HydrophobicContact CD1-CE1 4.44Å; I372-Y385 HydrophobicContact CD1-CG 3.68Å; I372-G388 PolarHBondContact O-N 3.2Å; I372-E389 PolarHBondContact N-O 3.15Å; I372-I391 HydrophobicContact CD1-CB 4.19Å; I372-I391 HydrophobicContact CD1-CG2 4Å; I372-I391 HydrophobicContact CG1-CG2 3.83Å; I372-L461 HydrophobicContact CB-CD2 4.26Å; I372-L461 HydrophobicContact CG1-CD2 4.04Å; I372-L461 HydrophobicContact CG2-CD2 4.47Å | ||
| 373 | K | 88.5 | Confident | 89.9 | Confident | 89 Ų | 89 | 39.9 Ų | 39.9 | 39% | 0.387 | 23% | 0.226 | S | C | . | . | trans | -149.4 | 161.8 | 178.8 | -68.3 | -171.9 | 176.1 | 179.4 | 0 | 110.9 | I371 T377 | I371-K373 HydrophobicContact CG2-CD 4.33Å; I371-K373 HydrophobicContact CG2-CG 4.16Å; I371-K373 PolarHBondContact O-N 3.41Å; K373-T377 VanDerWaalsContact C-OG1 3.23Å; K373-T377 WeakPolarHBondContact CA-OG1 3.3Å | ||
| 374 | G | 86.2 | Confident | 89.7 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 49% | 0.485 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 73.3 | -158.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V376 T377 | G374-V376 VanDerWaalsContact C-N 3.26Å; G374-V376 PolarHBondContact O-N 2.84Å; G374-T377 PolarHBondContact N-OG1 3.1Å; G374-T377 WeakPolarHBondContact O-CB 3.38Å; G374-T377 PolarHBondContact O-N 2.81Å; G374-T377 PolarHBondContact O-OG1 3.18Å |
| 375 | P | 85.6 | Confident | 89.6 | Confident | 80 Ų | 80 | 40.1 Ų | 40.1 | 52% | 0.519 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -34.1 | -172.8 | -25.6 | 34.5 | 0 | 0 | 0 | 114.1 | T377 A378 | P375-T377 PolarHBondContact O-N 2.99Å; P375-T377 VanDerWaalsContact O-N 3.13Å; P375-A378 PolarHBondContact O-N 2.93Å |
| 376 | V | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19 | -179.8 | 81 | 0 | 0 | 0 | 0 | 112.7 | G374 A378 L379 F380 I427 A457 N460 L461 | G374-V376 VanDerWaalsContact C-N 3.26Å; G374-V376 PolarHBondContact O-N 2.84Å; V376-A378 PolarHBondContact O-N 3.47Å; V376-L379 WeakPolarHBondContact O-CB 3.25Å; V376-L379 PolarHBondContact O-N 2.81Å; V376-F380 HydrophobicContact CB-CE2 4.42Å; V376-F380 HydrophobicContact CG1-CD2 4.18Å; V376-F380 HydrophobicContact CG1-CE2 4.08Å; V376-F380 HydrophobicContact CG2-CD2 4.01Å; V376-F380 HydrophobicContact CG2-CE2 3.59Å; V376-F380 VanDerWaalsContact O-CD2 3.3Å; V376-F380 WeakPolarHBondContact O-CD2 3.07Å; V376-F380 PolarHBondContact O-N 2.81Å; V376-I427 HydrophobicContact CB-CD1 4.5Å; V376-I427 HydrophobicContact CB-CG2 4.31Å; V376-I427 HydrophobicContact CG2-CD1 4.15Å; V376-I427 HydrophobicContact CG2-CG2 3.97Å; V376-A457 HydrophobicContact CG2-CB 4.27Å; V376-N460 HydrophobicContact CB-CB 4.21Å; V376-N460 HydrophobicContact CG1-CB 4.23Å; V376-L461 HydrophobicContact CG1-CD2 3.5Å; V376-L461 HydrophobicContact CG1-CG 4.21Å |
| 377 | T | 93 | Very high | 89.5 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 14% | 0.135 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -54.7 | -36.6 | 178.2 | -50.9 | 0 | 0 | 0 | 0 | 112.1 | I372 K373 G374 P375 L379 F380 S381 | I372-T377 HydrophobicContact CG2-CG2 4.07Å; K373-T377 VanDerWaalsContact C-OG1 3.23Å; K373-T377 WeakPolarHBondContact CA-OG1 3.3Å; G374-T377 PolarHBondContact N-OG1 3.1Å; G374-T377 WeakPolarHBondContact O-CB 3.38Å; G374-T377 PolarHBondContact O-N 2.81Å; G374-T377 PolarHBondContact O-OG1 3.18Å; P375-T377 PolarHBondContact O-N 2.99Å; P375-T377 VanDerWaalsContact O-N 3.13Å; T377-L379 PolarHBondContact O-N 3.16Å; T377-F380 PolarHBondContact O-N 3.16Å; T377-F380 VanDerWaalsContact O-N 3.14Å; T377-S381 WeakPolarHBondContact O-CB 3.28Å; T377-S381 PolarHBondContact O-N 3.18Å; T377-S381 PolarHBondContact O-OG 3.03Å |
| 378 | A | 92.8 | Very high | 89.5 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.7 | -27.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P375 V376 S381 L423 | P375-A378 PolarHBondContact O-N 2.93Å; V376-A378 PolarHBondContact O-N 3.47Å; A378-S381 WeakPolarHBondContact CA-OG 3.3Å; A378-S381 PolarHBondContact O-OG 3.06Å; A378-L423 HydrophobicContact CB-CD1 3.68Å |
| 379 | L | 94.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.6 | -47.7 | 172 | 179.7 | 153 | 0 | 0 | 0 | 110.1 | V376 T377 S381 Q382 F383 T399 I400 Y403 L423 L424 I427 | V376-L379 WeakPolarHBondContact O-CB 3.25Å; V376-L379 PolarHBondContact O-N 2.81Å; T377-L379 PolarHBondContact O-N 3.16Å; L379-S381 VanDerWaalsContact C-N 3.34Å; L379-S381 PolarHBondContact O-N 2.79Å; L379-Q382 PolarHBondContact O-N 3.15Å; L379-F383 WeakPolarHBondContact O-CD2 3.32Å; L379-T399 HydrophobicContact CD2-CG2 4.36Å; L379-I400 HydrophobicContact CD2-CG1 4.2Å; L379-Y403 HydrophobicContact CD1-CD1 3.96Å; L379-Y403 HydrophobicContact CD1-CD2 4.23Å; L379-Y403 HydrophobicContact CD1-CE1 4.43Å; L379-Y403 HydrophobicContact CD1-CG 3.87Å; L379-Y403 HydrophobicContact CG-CD1 4.44Å; L379-Y403 HydrophobicContact CG-CD2 3.81Å; L379-Y403 HydrophobicContact CG-CE2 4.31Å; L379-Y403 HydrophobicContact CG-CG 3.88Å; L379-L423 HydrophobicContact CB-CD2 4.02Å; L379-L424 HydrophobicContact CD1-CD2 3.76Å; L379-I427 HydrophobicContact CB-CD1 4.07Å; L379-I427 HydrophobicContact CD1-CD1 4.3Å |
| 380 | F | 93.1 | Very high | 89 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.5 | -29.8 | -177.8 | -73 | -79.4 | 0 | 0 | 0 | 113.1 | I372 V376 T377 Q382 F383 Y385 I391 A396 T399 I400 L461 | I372-F380 HydrophobicContact CD1-CB 4.01Å; I372-F380 HydrophobicContact CD1-CD1 4Å; I372-F380 HydrophobicContact CD1-CG 3.97Å; I372-F380 HydrophobicContact CG1-CD1 4.5Å; I372-F380 HydrophobicContact CG1-CD2 4.43Å; I372-F380 HydrophobicContact CG1-CG 4.26Å; I372-F380 HydrophobicContact CG2-CB 3.9Å; I372-F380 HydrophobicContact CG2-CD2 4.01Å; I372-F380 HydrophobicContact CG2-CG 4.11Å; V376-F380 HydrophobicContact CB-CE2 4.42Å; V376-F380 HydrophobicContact CG1-CD2 4.18Å; V376-F380 HydrophobicContact CG1-CE2 4.08Å; V376-F380 HydrophobicContact CG2-CD2 4.01Å; V376-F380 HydrophobicContact CG2-CE2 3.59Å; V376-F380 VanDerWaalsContact O-CD2 3.3Å; V376-F380 WeakPolarHBondContact O-CD2 3.07Å; V376-F380 PolarHBondContact O-N 2.81Å; T377-F380 PolarHBondContact O-N 3.16Å; T377-F380 VanDerWaalsContact O-N 3.14Å; F380-Q382 VanDerWaalsContact C-N 3.26Å; F380-Q382 PolarHBondContact O-N 3.3Å; F380-F383 CarbonylContact O-C 3.31Å; F380-F383 PolarHBondContact O-N 3.2Å; F380-Y385 HydrophobicContact CB-CD2 4.35Å; F380-Y385 HydrophobicContact CB-CG 4.43Å; F380-Y385 HydrophobicContact CD1-CD2 4.24Å; F380-Y385 PolarHBondContact O-N 3.44Å; F380-I391 HydrophobicContact CD1-CD1 4.1Å; F380-I391 HydrophobicContact CE1-CD1 3.86Å; F380-A396 HydrophobicContact CE1-CB 4.26Å; F380-A396 HydrophobicContact CZ-CB 4.26Å; F380-T399 HydrophobicContact CD1-CG2 3.66Å; F380-T399 HydrophobicContact CE1-CG2 3.88Å; F380-I400 HydrophobicContact CZ-CD1 4.39Å; F380-I400 HydrophobicContact CZ-CG1 4.22Å; F380-L461 HydrophobicContact CD2-CD2 4.32Å; F380-L461 HydrophobicContact CE2-CD1 4.06Å; F380-L461 HydrophobicContact CE2-CD2 3.8Å; F380-L461 HydrophobicContact CE2-CG 4.32Å; F380-L461 HydrophobicContact CZ-CD1 3.88Å; F380-L461 HydrophobicContact CZ-CD2 4.38Å |
| 381 | S | 92 | Very high | 88.9 | Confident | 62 Ų | 62 | 44.1 Ų | 44.1 | 43% | 0.434 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.8 | -26.6 | 178.6 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | T377 A378 L379 F383 G384 Y385 | T377-S381 WeakPolarHBondContact O-CB 3.28Å; T377-S381 PolarHBondContact O-N 3.18Å; T377-S381 PolarHBondContact O-OG 3.03Å; A378-S381 WeakPolarHBondContact CA-OG 3.3Å; A378-S381 PolarHBondContact O-OG 3.06Å; L379-S381 VanDerWaalsContact C-N 3.34Å; L379-S381 PolarHBondContact O-N 2.79Å; S381-F383 PolarHBondContact O-N 3.49Å; S381-G384 PolarHBondContact O-N 2.98Å; S381-Y385 WeakPolarHBondContact CA-O 3.46Å |
| 382 | Q | 91.8 | Very high | 88.8 | Confident | 108 Ų | 108 | 43.9 Ų | 43.9 | 51% | 0.505 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18.7 | 172.8 | -62.8 | -173.2 | 13.9 | 0 | 0 | 112.7 | L379 F380 Y403 | L379-Q382 PolarHBondContact O-N 3.15Å; F380-Q382 VanDerWaalsContact C-N 3.26Å; F380-Q382 PolarHBondContact O-N 3.3Å; Q382-Y403 VanDerWaalsContact OE1-CE2 3.24Å |
| 383 | F | 89.1 | Confident | 88.7 | Confident | 40 Ų | 40 | 46.7 Ų | 46.7 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 18.5 | 174.4 | -59 | -88.3 | 0 | 0 | 0 | 111.5 | R339 L379 F380 S381 Y385 T399 N402 Y403 | R339-F383 PolarHBondContact NH1-O 3.49Å; R339-F383 PolarHBondContact NH2-O 2.82Å; L379-F383 WeakPolarHBondContact O-CD2 3.32Å; F380-F383 CarbonylContact O-C 3.31Å; F380-F383 PolarHBondContact O-N 3.2Å; S381-F383 PolarHBondContact O-N 3.49Å; F383-Y385 VanDerWaalsContact C-N 3.32Å; F383-Y385 HydrophobicContact CB-CD2 4.03Å; F383-Y385 HydrophobicContact CB-CE2 4.18Å; F383-Y385 PolarHBondContact O-N 3.32Å; F383-T399 HydrophobicContact CB-CG2 3.98Å; F383-T399 HydrophobicContact CD1-CG2 4.4Å; F383-T399 HydrophobicContact CD2-CG2 3.34Å; F383-T399 HydrophobicContact CE2-CG2 3.89Å; F383-T399 HydrophobicContact CG-CG2 3.64Å; F383-N402 HydrophobicContact CE1-CB 3.72Å; F383-N402 HydrophobicContact CZ-CB 3.92Å; F383-Y403 HydrophobicContact CE2-CD2 4.14Å |
| 384 | G | 84.4 | Confident | 88.6 | Confident | 39 Ų | 39 | 46.3 Ų | 46.3 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 12.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S381 | S381-G384 PolarHBondContact O-N 2.98Š|
| 385 | Y | 85 | Confident | 88.7 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 142.9 | 171.4 | -69.3 | -85.4 | 0 | 0 | 0 | 111.4 | R339 I372 F380 S381 F383 E389 I391 T399 | R339-Y385 HydrophobicContact CG-CE1 4.3Å; R339-Y385 PolarHBondContact NE-OH 2.72Å; I372-Y385 HydrophobicContact CD1-CD1 3.63Å; I372-Y385 HydrophobicContact CD1-CE1 4.44Å; I372-Y385 HydrophobicContact CD1-CG 3.68Å; F380-Y385 HydrophobicContact CB-CD2 4.35Å; F380-Y385 HydrophobicContact CB-CG 4.43Å; F380-Y385 HydrophobicContact CD1-CD2 4.24Å; F380-Y385 PolarHBondContact O-N 3.44Å; S381-Y385 WeakPolarHBondContact CA-O 3.46Å; F383-Y385 VanDerWaalsContact C-N 3.32Å; F383-Y385 HydrophobicContact CB-CD2 4.03Å; F383-Y385 HydrophobicContact CB-CE2 4.18Å; F383-Y385 PolarHBondContact O-N 3.32Å; Y385-E389 VanDerWaalsContact CA-OE2 3.3Å; Y385-E389 WeakPolarHBondContact CA-OE2 3.35Å; Y385-E389 WeakPolarHBondContact CD1-OE2 3.42Å; Y385-I391 HydrophobicContact CD1-CD1 4.43Å; Y385-I391 HydrophobicContact CE1-CB 4.32Å; Y385-I391 HydrophobicContact CE1-CD1 3.73Å; Y385-I391 HydrophobicContact CE1-CG1 4.05Å; Y385-I391 HydrophobicContact CE2-CD1 3.95Å; Y385-I391 VanDerWaalsContact CZ-CD1 3.47Å; Y385-T399 HydrophobicContact CE2-CG2 4.32Å |
| 386 | K | 85.5 | Confident | 89 | Confident | 148 Ų | 148 | 41.6 Ų | 41.6 | 64% | 0.643 | 25% | 0.25 | S | C | * | . | P | Polyproline II helix | trans | -99.7 | 156.8 | 176.5 | -60.7 | 178.8 | -177.5 | 178.4 | 0 | 112.1 | G388 E389 | K386-G388 PolarHBondContact O-N 2.93Å; K386-E389 HydrophobicContact CB-CG 4.07Å; K386-E389 VanDerWaalsContact N-CD 3.29Å; K386-E389 PolarHBondContact N-OE2 2.94Å; K386-E389 WeakPolarHBondContact O-CB 3.36Å; K386-E389 PolarHBondContact O-N 2.82Å; K386-E389 VanDerWaalsContact O-N 3.14Å |
| 387 | S | 87.3 | Confident | 89.1 | Confident | 83 Ų | 83 | 47 Ų | 47 | 58% | 0.58 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 129.8 | 170 | -168 | 0 | 0 | 0 | 0 | 110.1 | ||
| 388 | G | 85.2 | Confident | 89 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 38% | 0.381 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -8.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I371 I372 K386 | I371-G388 WeakPolarHBondContact CG2-O 3.33Å; I372-G388 PolarHBondContact O-N 3.2Å; K386-G388 PolarHBondContact O-N 2.93Å |
| 389 | E | 84.8 | Confident | 89 | Confident | 67 Ų | 67 | 49.5 Ų | 49.5 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | trans | -70.7 | 153.2 | 176.2 | -77.4 | -179.2 | -177.5 | 0 | 0 | 112.8 | I371 I372 Y385 K386 | I371-E389 WeakPolarHBondContact CA-O 2.92Å; I372-E389 PolarHBondContact N-O 3.15Å; Y385-E389 VanDerWaalsContact CA-OE2 3.3Å; Y385-E389 WeakPolarHBondContact CA-OE2 3.35Å; Y385-E389 WeakPolarHBondContact CD1-OE2 3.42Å; K386-E389 HydrophobicContact CB-CG 4.07Å; K386-E389 VanDerWaalsContact N-CD 3.29Å; K386-E389 PolarHBondContact N-OE2 2.94Å; K386-E389 WeakPolarHBondContact O-CB 3.36Å; K386-E389 PolarHBondContact O-N 2.82Å; K386-E389 VanDerWaalsContact O-N 3.14Å | ||
| 390 | C | 86.9 | Confident | 89 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.8 | -179.8 | -63.7 | 0 | 0 | 0 | 0 | 110.7 | I369 R370 | I369-C390 HydrophobicContact CD1-CB 3.71Å; R370-C390 CarbonylContact O-C 3.5Å; R370-C390 VanDerWaalsContact O-CA 3.31Å; R370-C390 WeakPolarHBondContact O-CA 3.11Å |
| 391 | I | 88.7 | Confident | 89 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140.9 | 179.5 | -169 | 171.6 | 0 | 0 | 0 | 109.9 | R370 I372 F380 Y385 E395 A396 | R370-I391 HydrophobicContact CB-CG2 3.88Å; R370-I391 PolarHBondContact N-O 3.35Å; R370-I391 PolarHBondContact O-N 3.46Å; I372-I391 HydrophobicContact CD1-CB 4.19Å; I372-I391 HydrophobicContact CD1-CG2 4Å; I372-I391 HydrophobicContact CG1-CG2 3.83Å; F380-I391 HydrophobicContact CD1-CD1 4.1Å; F380-I391 HydrophobicContact CE1-CD1 3.86Å; Y385-I391 HydrophobicContact CD1-CD1 4.43Å; Y385-I391 HydrophobicContact CE1-CB 4.32Å; Y385-I391 HydrophobicContact CE1-CD1 3.73Å; Y385-I391 HydrophobicContact CE1-CG1 4.05Å; Y385-I391 HydrophobicContact CE2-CD1 3.95Å; Y385-I391 VanDerWaalsContact CZ-CD1 3.47Å; I391-E395 HydrophobicContact CD1-CB 3.98Å; I391-E395 HydrophobicContact CG1-CB 3.57Å; I391-A396 HydrophobicContact CD1-CB 4.08Å; I391-A396 HydrophobicContact CG1-CB 4.32Å; I391-A396 HydrophobicContact CG2-CB 4.06Å |
| 392 | S | 88.2 | Confident | 89 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.028 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 158.4 | 172.9 | 65.8 | 0 | 0 | 0 | 0 | 110.6 | S394 E395 A396 | S392-S394 VanDerWaalsContact C-N 3.26Å; S392-S394 PolarHBondContact O-N 3.23Å; S392-S394 PolarHBondContact OG-OG 2.79Å; S392-E395 WeakPolarHBondContact CB-OE2 3.37Å; S392-E395 PolarHBondContact N-OE2 2.63Å; S392-E395 PolarHBondContact O-N 3.17Å; S392-E395 VanDerWaalsContact OG-CB 3.26Å; S392-E395 WeakPolarHBondContact OG-CB 3.4Å; S392-E395 WeakPolarHBondContact OG-CG 3.37Å; S392-E395 PolarHBondContact OG-N 3.21Å; S392-E395 PolarHBondContact OG-OE2 3.31Å; S392-A396 WeakPolarHBondContact O-CB 3.22Å; S392-A396 PolarHBondContact O-N 3.43Å |
| 393 | Q | 88.1 | Confident | 89.2 | Confident | 58 Ų | 58 | 45 Ų | 45 | 27% | 0.271 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.4 | -31.3 | 179.4 | -173 | 168.3 | -28.4 | 0 | 0 | 112.8 | R397 L458 | Q393-R397 WeakPolarHBondContact O-CG 3.37Å; Q393-R397 PolarHBondContact O-N 3.34Å; Q393-R397 VanDerWaalsContact O-N 3.14Å; Q393-L458 HydrophobicContact CG-CD1 4.16Å |
| 394 | S | 87.2 | Confident | 89.5 | Confident | 82 Ų | 82 | 43.1 Ų | 43.1 | 57% | 0.573 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -70.3 | -45.5 | 175.8 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | S392 A396 R397 R398 | S392-S394 VanDerWaalsContact C-N 3.26Å; S392-S394 PolarHBondContact O-N 3.23Å; S392-S394 PolarHBondContact OG-OG 2.79Å; S394-A396 VanDerWaalsContact C-N 3.34Å; S394-R397 PolarHBondContact O-N 3.31Å; S394-R398 PolarHBondContact O-N 2.89Å |
| 395 | E | 88.3 | Confident | 90 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 13% | 0.131 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 174.5 | -72.5 | 162.4 | 161.5 | 0 | 0 | 110.7 | K264 I391 S392 R397 R398 T399 | K264-E395 IonicContact NZ-OE1 3.35Å; K264-E395 PolarHBondContact NZ-OE1 2.98Å; K264-E395 VanDerWaalsContact NZ-OE1 3.1Å; I391-E395 HydrophobicContact CD1-CB 3.98Å; I391-E395 HydrophobicContact CG1-CB 3.57Å; S392-E395 WeakPolarHBondContact CB-OE2 3.37Å; S392-E395 PolarHBondContact N-OE2 2.63Å; S392-E395 PolarHBondContact O-N 3.17Å; S392-E395 VanDerWaalsContact OG-CB 3.26Å; S392-E395 WeakPolarHBondContact OG-CB 3.4Å; S392-E395 WeakPolarHBondContact OG-CG 3.37Å; S392-E395 PolarHBondContact OG-N 3.21Å; S392-E395 PolarHBondContact OG-OE2 3.31Å; E395-R397 VanDerWaalsContact C-N 3.34Å; E395-R397 PolarHBondContact O-N 3.23Å; E395-R398 PolarHBondContact O-N 3.07Å; E395-R398 VanDerWaalsContact O-N 3.16Å; E395-T399 PolarHBondContact O-N 2.92Å; E395-T399 PolarHBondContact O-OG1 3.46Å |
| 396 | A | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F380 I391 S392 S394 T399 I400 L458 L461 | F380-A396 HydrophobicContact CE1-CB 4.26Å; F380-A396 HydrophobicContact CZ-CB 4.26Å; I391-A396 HydrophobicContact CD1-CB 4.08Å; I391-A396 HydrophobicContact CG1-CB 4.32Å; I391-A396 HydrophobicContact CG2-CB 4.06Å; S392-A396 WeakPolarHBondContact O-CB 3.22Å; S392-A396 PolarHBondContact O-N 3.43Å; S394-A396 VanDerWaalsContact C-N 3.34Å; A396-T399 PolarHBondContact O-N 3.22Å; A396-I400 WeakPolarHBondContact O-CD1 3.38Å; A396-I400 VanDerWaalsContact O-CG1 3.26Å; A396-I400 WeakPolarHBondContact O-CG1 3.38Å; A396-I400 PolarHBondContact O-N 2.83Å; A396-I400 VanDerWaalsContact O-N 3.08Å; A396-L458 HydrophobicContact CB-CD2 3.65Å; A396-L461 HydrophobicContact CB-CD1 4.1Å |
| 397 | R | 93 | Very high | 90.9 | Very high | 113 Ų | 113 | 48.1 Ų | 48.1 | 43% | 0.426 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.6 | -77 | -173.2 | 168.9 | 114.1 | -2.6 | 112.2 | Q393 S394 E395 T399 I400 D401 I454 L458 | Q393-R397 WeakPolarHBondContact O-CG 3.37Å; Q393-R397 PolarHBondContact O-N 3.34Å; Q393-R397 VanDerWaalsContact O-N 3.14Å; S394-R397 PolarHBondContact O-N 3.31Å; E395-R397 VanDerWaalsContact C-N 3.34Å; E395-R397 PolarHBondContact O-N 3.23Å; R397-T399 VanDerWaalsContact C-N 3.34Å; R397-T399 PolarHBondContact O-N 3.34Å; R397-I400 PolarHBondContact O-N 3.45Å; R397-D401 WeakPolarHBondContact O-CB 3.43Å; R397-D401 PolarHBondContact O-N 3.21Å; R397-I454 HydrophobicContact CB-CD1 4.48Å; R397-I454 HydrophobicContact CG-CD1 4.37Å; R397-I454 HydrophobicContact CG-CG2 3.87Å; R397-L458 HydrophobicContact CG-CD1 4.07Å |
| 398 | R | 91.1 | Very high | 91.3 | Very high | 111 Ų | 111 | 53 Ų | 53 | 42% | 0.419 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 178.4 | -170.9 | -177.1 | -64.2 | 175.7 | -0.5 | 111.6 | D334 S394 E395 I400 D401 N402 | D334-R398 WeakPolarHBondContact OD1-CD 3.48Å; D334-R398 IonicContact OD1-CZ 3.97Å; D334-R398 IonicContact OD1-NE 3.72Å; D334-R398 IonicContact OD1-NH1 2.78Å; D334-R398 PolarHBondContact OD1-NH1 2.87Å; S394-R398 PolarHBondContact O-N 2.89Å; E395-R398 PolarHBondContact O-N 3.07Å; E395-R398 VanDerWaalsContact O-N 3.16Å; R398-I400 VanDerWaalsContact C-N 3.33Å; R398-I400 PolarHBondContact O-N 3.28Å; R398-D401 PolarHBondContact O-N 2.79Å; R398-N402 WeakPolarHBondContact O-CB 3.43Å; R398-N402 VanDerWaalsContact O-CG 3.24Å; R398-N402 PolarHBondContact O-N 2.79Å |
| 399 | T | 92.4 | Very high | 91.8 | Very high | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.055 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 176.8 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | L379 F380 F383 Y385 E395 A396 R397 N402 Y403 | L379-T399 HydrophobicContact CD2-CG2 4.36Å; F380-T399 HydrophobicContact CD1-CG2 3.66Å; F380-T399 HydrophobicContact CE1-CG2 3.88Å; F383-T399 HydrophobicContact CB-CG2 3.98Å; F383-T399 HydrophobicContact CD1-CG2 4.4Å; F383-T399 HydrophobicContact CD2-CG2 3.34Å; F383-T399 HydrophobicContact CE2-CG2 3.89Å; F383-T399 HydrophobicContact CG-CG2 3.64Å; Y385-T399 HydrophobicContact CE2-CG2 4.32Å; E395-T399 PolarHBondContact O-N 2.92Å; E395-T399 PolarHBondContact O-OG1 3.46Å; A396-T399 PolarHBondContact O-N 3.22Å; R397-T399 VanDerWaalsContact C-N 3.34Å; R397-T399 PolarHBondContact O-N 3.34Å; T399-N402 PolarHBondContact O-N 3.09Å; T399-Y403 PolarHBondContact O-N 3.27Å |
| 400 | I | 94.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -42.9 | 176.2 | -62.2 | 156 | 0 | 0 | 0 | 111 | L379 F380 A396 R397 R398 Y403 V404 L453 I454 A457 L458 | L379-I400 HydrophobicContact CD2-CG1 4.2Å; F380-I400 HydrophobicContact CZ-CD1 4.39Å; F380-I400 HydrophobicContact CZ-CG1 4.22Å; A396-I400 WeakPolarHBondContact O-CD1 3.38Å; A396-I400 VanDerWaalsContact O-CG1 3.26Å; A396-I400 WeakPolarHBondContact O-CG1 3.38Å; A396-I400 PolarHBondContact O-N 2.83Å; A396-I400 VanDerWaalsContact O-N 3.08Å; R397-I400 PolarHBondContact O-N 3.45Å; R398-I400 VanDerWaalsContact C-N 3.33Å; R398-I400 PolarHBondContact O-N 3.28Å; I400-Y403 WeakPolarHBondContact O-CB 3.36Å; I400-Y403 PolarHBondContact O-N 3.14Å; I400-V404 WeakPolarHBondContact O-CG2 3.35Å; I400-V404 PolarHBondContact O-N 2.82Å; I400-V404 VanDerWaalsContact O-N 3.09Å; I400-L453 HydrophobicContact CG2-CD2 4.29Å; I400-L453 HydrophobicContact CG2-CG 4.18Å; I400-I454 HydrophobicContact CB-CD1 3.81Å; I400-I454 HydrophobicContact CD1-CD1 4.1Å; I400-I454 HydrophobicContact CG2-CD1 3.64Å; I400-A457 HydrophobicContact CD1-CB 3.52Å; I400-A457 HydrophobicContact CG1-CB 4.12Å; I400-L458 HydrophobicContact CD1-CD2 4.42Å |
| 401 | D | 93.8 | Very high | 92.6 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 25% | 0.246 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 175.2 | 177.7 | 34.4 | 0 | 0 | 0 | 111.8 | R397 R398 Y403 V404 R405 F450 | R397-D401 WeakPolarHBondContact O-CB 3.43Å; R397-D401 PolarHBondContact O-N 3.21Å; R398-D401 PolarHBondContact O-N 2.79Å; D401-Y403 VanDerWaalsContact C-N 3.26Å; D401-Y403 PolarHBondContact O-N 2.92Å; D401-V404 PolarHBondContact O-N 2.94Å; D401-R405 PolarHBondContact O-N 3.42Å; D401-R405 IonicContact OD1-CZ 3.71Å; D401-R405 IonicContact OD1-NH2 2.63Å; D401-R405 PolarHBondContact OD1-NH2 3.2Å; D401-R405 IonicContact OD2-CZ 3.43Å; D401-R405 IonicContact OD2-NH1 3.48Å; D401-R405 IonicContact OD2-NH2 3.63Å; D401-R405 PolarHBondContact OD2-NH2 3.23Å; D401-F450 HydrophobicContact CB-CZ 4.05Å |
| 402 | N | 93 | Very high | 92.8 | Very high | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.134 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -35.6 | 175.1 | -72.2 | -9 | 0 | 0 | 0 | 111.8 | D334 F383 R398 T399 R405 N406 | D334-N402 PolarHBondContact OD2-ND2 3.1Å; F383-N402 HydrophobicContact CE1-CB 3.72Å; F383-N402 HydrophobicContact CZ-CB 3.92Å; R398-N402 WeakPolarHBondContact O-CB 3.43Å; R398-N402 VanDerWaalsContact O-CG 3.24Å; R398-N402 PolarHBondContact O-N 2.79Å; T399-N402 PolarHBondContact O-N 3.09Å; N402-R405 PolarHBondContact O-N 3.28Å; N402-R405 PolarHBondContact OD1-NH1 2.62Å; N402-N406 VanDerWaalsContact O-CB 3.24Å; N402-N406 WeakPolarHBondContact O-CB 3.45Å; N402-N406 PolarHBondContact O-N 2.88Å; N402-N406 PolarHBondContact O-OD1 3.34Å |
| 403 | Y | 95.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.6 | -49.2 | 173.8 | -177.9 | -90.2 | 0 | 0 | 0 | 111.8 | L379 Q382 F383 T399 I400 D401 R405 N406 N407 L409 D421 L423 L424 | L379-Y403 HydrophobicContact CD1-CD1 3.96Å; L379-Y403 HydrophobicContact CD1-CD2 4.23Å; L379-Y403 HydrophobicContact CD1-CE1 4.43Å; L379-Y403 HydrophobicContact CD1-CG 3.87Å; L379-Y403 HydrophobicContact CG-CD1 4.44Å; L379-Y403 HydrophobicContact CG-CD2 3.81Å; L379-Y403 HydrophobicContact CG-CE2 4.31Å; L379-Y403 HydrophobicContact CG-CG 3.88Å; Q382-Y403 VanDerWaalsContact OE1-CE2 3.24Å; F383-Y403 HydrophobicContact CE2-CD2 4.14Å; T399-Y403 PolarHBondContact O-N 3.27Å; I400-Y403 WeakPolarHBondContact O-CB 3.36Å; I400-Y403 PolarHBondContact O-N 3.14Å; D401-Y403 VanDerWaalsContact C-N 3.26Å; D401-Y403 PolarHBondContact O-N 2.92Å; Y403-R405 VanDerWaalsContact C-N 3.29Å; Y403-R405 PolarHBondContact O-N 3.46Å; Y403-N406 PolarHBondContact O-N 2.89Å; Y403-N407 WeakPolarHBondContact CD2-ND2 3.31Å; Y403-N407 WeakPolarHBondContact CE2-ND2 3.07Å; Y403-N407 WeakPolarHBondContact O-CB 3.49Å; Y403-N407 PolarHBondContact O-N 3.27Å; Y403-N407 VanDerWaalsContact O-N 3.12Å; Y403-N407 PolarHBondContact O-ND2 3.24Å; Y403-L409 HydrophobicContact CD1-CD1 4.11Å; Y403-L409 HydrophobicContact CE1-CD1 3.61Å; Y403-D421 PolarHBondContact OH-OD2 3.47Å; Y403-L423 HydrophobicContact CE2-CD2 3.83Å; Y403-L423 WeakPolarHBondContact OH-CD2 3.19Å; Y403-L424 HydrophobicContact CD1-CD2 4.06Å; Y403-L424 HydrophobicContact CD1-CG 4.46Å; Y403-L424 HydrophobicContact CE1-CD1 4.17Å; Y403-L424 HydrophobicContact CE1-CD2 3.79Å; Y403-L424 HydrophobicContact CE1-CG 3.85Å |
| 404 | V | 95.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 178.8 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | I400 D401 K408 L409 Q410 V418 F450 L453 | I400-V404 WeakPolarHBondContact O-CG2 3.35Å; I400-V404 PolarHBondContact O-N 2.82Å; I400-V404 VanDerWaalsContact O-N 3.09Å; D401-V404 PolarHBondContact O-N 2.94Å; V404-K408 PolarHBondContact O-N 2.89Å; V404-K408 VanDerWaalsContact O-N 3.15Å; V404-L409 HydrophobicContact CG1-CB 4.25Å; V404-L409 PolarHBondContact O-N 3.3Å; V404-Q410 HydrophobicContact CG1-CB 3.98Å; V404-V418 HydrophobicContact CG1-CG1 3.96Å; V404-V418 HydrophobicContact CG1-CG2 3.89Å; V404-V418 HydrophobicContact CG2-CG1 3.97Å; V404-V418 HydrophobicContact CG2-CG2 4.37Å; V404-F450 HydrophobicContact CB-CE2 4.46Å; V404-F450 HydrophobicContact CG2-CE2 4.19Å; V404-L453 HydrophobicContact CG2-CD2 3.59Å |
| 405 | R | 93.4 | Very high | 93.4 | Very high | 128 Ų | 128 | 67.4 Ų | 67.4 | 48% | 0.483 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.2 | -49.4 | 179.8 | -166 | -177.4 | -58.5 | 111 | 8 | 112.5 | D401 N402 Y403 N407 K408 | D401-R405 PolarHBondContact O-N 3.42Å; D401-R405 IonicContact OD1-CZ 3.71Å; D401-R405 IonicContact OD1-NH2 2.63Å; D401-R405 PolarHBondContact OD1-NH2 3.2Å; D401-R405 IonicContact OD2-CZ 3.43Å; D401-R405 IonicContact OD2-NH1 3.48Å; D401-R405 IonicContact OD2-NH2 3.63Å; D401-R405 PolarHBondContact OD2-NH2 3.23Å; N402-R405 PolarHBondContact O-N 3.28Å; N402-R405 PolarHBondContact OD1-NH1 2.62Å; Y403-R405 VanDerWaalsContact C-N 3.29Å; Y403-R405 PolarHBondContact O-N 3.46Å; R405-N407 VanDerWaalsContact C-N 3.25Å; R405-N407 PolarHBondContact O-N 2.87Å; R405-K408 PolarHBondContact O-N 3.15Å |
| 406 | N | 94.2 | Very high | 93.6 | Very high | 109 Ų | 109 | 69 Ų | 69 | 58% | 0.583 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.4 | -33.6 | -177 | -72.8 | -0.6 | 0 | 0 | 0 | 112.1 | N402 Y403 | N402-N406 VanDerWaalsContact O-CB 3.24Å; N402-N406 WeakPolarHBondContact O-CB 3.45Å; N402-N406 PolarHBondContact O-N 2.88Å; N402-N406 PolarHBondContact O-OD1 3.34Å; Y403-N406 PolarHBondContact O-N 2.89Å |
| 407 | N | 95.5 | Very high | 93.9 | Very high | 69 Ų | 69 | 70.2 Ų | 70.2 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 4.4 | 177.4 | -65.9 | -75.3 | 0 | 0 | 0 | 113.4 | Y403 R405 L409 | Y403-N407 WeakPolarHBondContact CD2-ND2 3.31Å; Y403-N407 WeakPolarHBondContact CE2-ND2 3.07Å; Y403-N407 WeakPolarHBondContact O-CB 3.49Å; Y403-N407 PolarHBondContact O-N 3.27Å; Y403-N407 VanDerWaalsContact O-N 3.12Å; Y403-N407 PolarHBondContact O-ND2 3.24Å; R405-N407 VanDerWaalsContact C-N 3.25Å; R405-N407 PolarHBondContact O-N 2.87Å; N407-L409 HydrophobicContact CB-CD1 3.81Å; N407-L409 HydrophobicContact CB-CD2 4.16Å; N407-L409 HydrophobicContact CB-CG 3.63Å; N407-L409 PolarHBondContact O-N 3.11Å |
| 408 | K | 95.5 | Very high | 94.1 | Very high | 186 Ų | 186 | 64.9 Ų | 64.9 | 81% | 0.809 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 40.9 | 179.8 | -56.5 | 178.6 | -178 | 177 | 0 | 113.1 | V404 R405 | V404-K408 PolarHBondContact O-N 2.89Å; V404-K408 VanDerWaalsContact O-N 3.15Å; R405-K408 PolarHBondContact O-N 3.15Å |
| 409 | L | 96.2 | Very high | 94.3 | Very high | 17 Ų | 17 | 62.8 Ų | 62.8 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | trans | -85.6 | -13.4 | -173.8 | -60.4 | 175.2 | 0 | 0 | 0 | 113.2 | Y403 V404 N407 V418 H419 D421 L424 | Y403-L409 HydrophobicContact CD1-CD1 4.11Å; Y403-L409 HydrophobicContact CE1-CD1 3.61Å; V404-L409 HydrophobicContact CG1-CB 4.25Å; V404-L409 PolarHBondContact O-N 3.3Å; N407-L409 HydrophobicContact CB-CD1 3.81Å; N407-L409 HydrophobicContact CB-CD2 4.16Å; N407-L409 HydrophobicContact CB-CG 3.63Å; N407-L409 PolarHBondContact O-N 3.11Å; L409-V418 HydrophobicContact CB-CG1 3.72Å; L409-V418 CarbonylContact O-C 3.57Å; L409-V418 WeakPolarHBondContact O-CA 3.46Å; L409-H419 WeakPolarHBondContact O-CB 3.39Å; L409-H419 PolarHBondContact O-N 3.17Å; L409-D421 HydrophobicContact CD1-CB 4.49Å; L409-D421 HydrophobicContact CD2-CB 4.16Å; L409-L424 HydrophobicContact CD1-CD1 3.77Å | ||
| 410 | Q | 95.5 | Very high | 94.5 | Very high | 90 Ų | 90 | 62.8 Ų | 62.8 | 42% | 0.421 | 32% | 0.323 | S | S | . | . | B | Isolated β-bridge | trans | -74.8 | 131.8 | 178.6 | -164.9 | 166.3 | 29.4 | 0 | 0 | 110.5 | V404 P415 | V404-Q410 HydrophobicContact CG1-CB 3.98Å; Q410-P415 HydrophobicContact CG-CB 4.48Å; Q410-P415 PolarHBondContact NE2-O 3.1Å |
| 411 | L | 93.5 | Very high | 94.5 | Very high | 42 Ų | 42 | 64.3 Ų | 64.3 | 22% | 0.22 | 33% | 0.331 | C | S | . | . | trans | -69 | 138.1 | 179.7 | -84.2 | 140.4 | 0 | 0 | 0 | 111.2 | D414 P415 L417 H447 | L411-D414 WeakPolarHBondContact CB-O 3.3Å; L411-D414 CarbonylContact O-C 3.59Å; L411-P415 WeakPolarHBondContact O-CA 3.43Å; L411-L417 HydrophobicContact CD1-CB 3.34Å; L411-L417 HydrophobicContact CD1-CD1 4.26Å; L411-L417 HydrophobicContact CD1-CG 4.45Å; L411-L417 PolarHBondContact N-O 3.06Å; L411-L417 VanDerWaalsContact N-O 3.08Å; L411-H447 HydrophobicContact CD1-CB 4.4Å | ||
| 412 | I | 91.7 | Very high | 94.5 | Very high | 169 Ų | 169 | 71.5 Ų | 71.5 | 87% | 0.867 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -72.7 | -36.3 | 177.1 | -58.5 | 172.7 | 0 | 0 | 0 | 110.5 | ||
| 413 | T | 91.3 | Very high | 94.5 | Very high | 128 Ų | 128 | 71.7 Ų | 71.7 | 79% | 0.785 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -75.3 | -38.8 | -177.6 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 414 | D | 93.2 | Very high | 94.5 | Very high | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.342 | 36% | 0.361 | S | S | . | . | trans | -136.4 | 97.3 | 174.5 | -177.5 | -5.1 | 0 | 0 | 0 | 110.2 | L411 S416 L417 | L411-D414 WeakPolarHBondContact CB-O 3.3Å; L411-D414 CarbonylContact O-C 3.59Å; D414-S416 VanDerWaalsContact CG-OG 3.24Å; D414-S416 PolarHBondContact O-N 3.2Å; D414-S416 VanDerWaalsContact OD1-CB 3.24Å; D414-S416 WeakPolarHBondContact OD1-CB 3.36Å; D414-S416 PolarHBondContact OD1-N 2.74Å; D414-S416 PolarHBondContact OD1-OG 3.21Å; D414-S416 PolarHBondContact OD2-OG 3.44Å; D414-L417 HydrophobicContact CB-CD1 4.15Å; D414-L417 HydrophobicContact CB-CG 4.38Å; D414-L417 PolarHBondContact O-N 3.05Å; D414-L417 WeakPolarHBondContact OD2-CD1 3.35Å | ||
| 415 | P | 92.1 | Very high | 94.4 | Very high | 76 Ų | 76 | 74 Ų | 74 | 49% | 0.494 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -13.3 | 179.5 | -24 | 34.2 | 0 | 0 | 0 | 114.4 | Q410 L411 L417 | Q410-P415 HydrophobicContact CG-CB 4.48Å; Q410-P415 PolarHBondContact NE2-O 3.1Å; L411-P415 WeakPolarHBondContact O-CA 3.43Å; P415-L417 PolarHBondContact O-N 2.78Å |
| 416 | S | 93.7 | Very high | 94.4 | Very high | 61 Ų | 61 | 71.5 Ų | 71.5 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -15.3 | 174.9 | 79.2 | 0 | 0 | 0 | 0 | 112.8 | D414 R449 F450 | D414-S416 VanDerWaalsContact CG-OG 3.24Å; D414-S416 PolarHBondContact O-N 3.2Å; D414-S416 VanDerWaalsContact OD1-CB 3.24Å; D414-S416 WeakPolarHBondContact OD1-CB 3.36Å; D414-S416 PolarHBondContact OD1-N 2.74Å; D414-S416 PolarHBondContact OD1-OG 3.21Å; D414-S416 PolarHBondContact OD2-OG 3.44Å; S416-R449 WeakPolarHBondContact O-CA 3.39Å; S416-F450 PolarHBondContact O-N 3.39Å |
| 417 | L | 96 | Very high | 94.4 | Very high | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 143.6 | -177.5 | -63.7 | 177.3 | 0 | 0 | 0 | 111.9 | L411 D414 P415 I434 I448 R449 | L411-L417 HydrophobicContact CD1-CB 3.34Å; L411-L417 HydrophobicContact CD1-CD1 4.26Å; L411-L417 HydrophobicContact CD1-CG 4.45Å; L411-L417 PolarHBondContact N-O 3.06Å; L411-L417 VanDerWaalsContact N-O 3.08Å; D414-L417 HydrophobicContact CB-CD1 4.15Å; D414-L417 HydrophobicContact CB-CG 4.38Å; D414-L417 PolarHBondContact O-N 3.05Å; D414-L417 WeakPolarHBondContact OD2-CD1 3.35Å; P415-L417 PolarHBondContact O-N 2.78Å; L417-I434 HydrophobicContact CD2-CD1 3.74Å; L417-I448 WeakPolarHBondContact CA-O 3.48Å; L417-R449 HydrophobicContact CD2-CG 3.91Å |
| 418 | V | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.6 | 177 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | V404 L409 L424 H447 I448 F450 L453 | V404-V418 HydrophobicContact CG1-CG1 3.96Å; V404-V418 HydrophobicContact CG1-CG2 3.89Å; V404-V418 HydrophobicContact CG2-CG1 3.97Å; V404-V418 HydrophobicContact CG2-CG2 4.37Å; L409-V418 HydrophobicContact CB-CG1 3.72Å; L409-V418 CarbonylContact O-C 3.57Å; L409-V418 WeakPolarHBondContact O-CA 3.46Å; V418-L424 HydrophobicContact CG1-CD1 4.13Å; V418-H447 CarbonylContact O-C 3.59Å; V418-H447 WeakPolarHBondContact O-CA 3.49Å; V418-I448 HydrophobicContact CB-CG2 4.1Å; V418-I448 PolarHBondContact N-O 2.94Å; V418-I448 PolarHBondContact O-N 2.9Å; V418-F450 HydrophobicContact CG2-CB 4.33Å; V418-F450 HydrophobicContact CG2-CD2 3.74Å; V418-L453 HydrophobicContact CB-CD2 4.35Å; V418-L453 HydrophobicContact CG1-CD2 4.1Å; V418-L453 HydrophobicContact CG2-CD2 4.26Å |
| 419 | H | 96.7 | Very high | 94.2 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 127.1 | 169.5 | -179.7 | 64.2 | 0 | 0 | 0 | 111.1 | L409 D421 H447 | L409-H419 WeakPolarHBondContact O-CB 3.39Å; L409-H419 PolarHBondContact O-N 3.17Å; H419-D421 PolarHBondContact O-N 2.94Å; H419-H447 AromaticContact ND1-CE1 3.9Å; H419-H447 AromaticContact ND1-ND1 3.95Å |
| 420 | L | 95.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | trans | -82.4 | 103.6 | 177.6 | -75.4 | 171.4 | 0 | 0 | 0 | 109.7 | L424 F433 F446 I448 | L420-L424 HydrophobicContact CD2-CB 3.52Å; L420-L424 HydrophobicContact CD2-CD1 4.45Å; L420-F433 HydrophobicContact CD1-CB 4.3Å; L420-F433 HydrophobicContact CD1-CD1 3.26Å; L420-F433 HydrophobicContact CD1-CD2 4.12Å; L420-F433 HydrophobicContact CD1-CE1 3.51Å; L420-F433 HydrophobicContact CD1-CE2 4.3Å; L420-F433 HydrophobicContact CD1-CG 3.62Å; L420-F433 HydrophobicContact CD1-CZ 4.03Å; L420-F446 HydrophobicContact CB-CB 4.34Å; L420-F446 HydrophobicContact CD1-CB 3.9Å; L420-F446 PolarHBondContact N-O 2.86Å; L420-I448 HydrophobicContact CD1-CB 4.15Å; L420-I448 HydrophobicContact CD2-CB 4.06Å; L420-I448 HydrophobicContact CD2-CG2 3.6Å; L420-I448 HydrophobicContact CG-CB 4.08Å; L420-I448 HydrophobicContact CG-CG2 3.91Å | ||
| 421 | D | 95.1 | Very high | 94.1 | Very high | 31 Ų | 31 | 65 Ų | 65 | 17% | 0.166 | 35% | 0.351 | C | S | . | . | trans | -72.2 | 179.5 | 166.8 | 71.9 | 13.6 | 0 | 0 | 0 | 111.5 | Y403 L409 H419 L423 L424 T425 | Y403-D421 PolarHBondContact OH-OD2 3.47Å; L409-D421 HydrophobicContact CD1-CB 4.49Å; L409-D421 HydrophobicContact CD2-CB 4.16Å; H419-D421 PolarHBondContact O-N 2.94Å; D421-L423 PolarHBondContact O-N 2.96Å; D421-L423 WeakPolarHBondContact OD1-CA 3.48Å; D421-L423 PolarHBondContact OD1-N 2.89Å; D421-L424 PolarHBondContact O-N 2.93Å; D421-L424 WeakPolarHBondContact OD1-CB 3.38Å; D421-L424 WeakPolarHBondContact OD1-CG 3.44Å; D421-L424 PolarHBondContact OD1-N 2.94Å; D421-T425 VanDerWaalsContact O-CB 3.26Å; D421-T425 WeakPolarHBondContact O-CB 3.5Å; D421-T425 PolarHBondContact O-N 3.08Å; D421-T425 PolarHBondContact O-OG1 2.84Å | ||
| 422 | K | 93.1 | Very high | 94.2 | Very high | 197 Ų | 197 | 64 Ų | 64 | 86% | 0.857 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.1 | -37.1 | 179.4 | -67.6 | -177.9 | -179.9 | 178.1 | 0 | 112.7 | S426 | K422-S426 PolarHBondContact O-N 3.32Å |
| 423 | L | 94.1 | Very high | 94.4 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 16% | 0.157 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.7 | -49.2 | -176.3 | -179.9 | 59.7 | 0 | 0 | 0 | 110.8 | A378 L379 Y403 D421 T425 S426 I427 | A378-L423 HydrophobicContact CB-CD1 3.68Å; L379-L423 HydrophobicContact CB-CD2 4.02Å; Y403-L423 HydrophobicContact CE2-CD2 3.83Å; Y403-L423 WeakPolarHBondContact OH-CD2 3.19Å; D421-L423 PolarHBondContact O-N 2.96Å; D421-L423 WeakPolarHBondContact OD1-CA 3.48Å; D421-L423 PolarHBondContact OD1-N 2.89Å; L423-T425 VanDerWaalsContact C-N 3.28Å; L423-T425 PolarHBondContact O-N 3.03Å; L423-S426 WeakPolarHBondContact O-CB 3.49Å; L423-S426 PolarHBondContact O-N 3.21Å; L423-S426 PolarHBondContact O-OG 2.86Å; L423-I427 HydrophobicContact CD1-CD1 4.04Å; L423-I427 HydrophobicContact CG-CD1 3.93Å; L423-I427 WeakPolarHBondContact O-CG1 3.26Å; L423-I427 PolarHBondContact O-N 3.01Å |
| 424 | L | 95.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 177.4 | -62.9 | -171.6 | 0 | 0 | 0 | 111.8 | L379 Y403 L409 V418 L420 D421 S426 I427 C428 L453 | L379-L424 HydrophobicContact CD1-CD2 3.76Å; Y403-L424 HydrophobicContact CD1-CD2 4.06Å; Y403-L424 HydrophobicContact CD1-CG 4.46Å; Y403-L424 HydrophobicContact CE1-CD1 4.17Å; Y403-L424 HydrophobicContact CE1-CD2 3.79Å; Y403-L424 HydrophobicContact CE1-CG 3.85Å; L409-L424 HydrophobicContact CD1-CD1 3.77Å; V418-L424 HydrophobicContact CG1-CD1 4.13Å; L420-L424 HydrophobicContact CD2-CB 3.52Å; L420-L424 HydrophobicContact CD2-CD1 4.45Å; D421-L424 PolarHBondContact O-N 2.93Å; D421-L424 WeakPolarHBondContact OD1-CB 3.38Å; D421-L424 WeakPolarHBondContact OD1-CG 3.44Å; D421-L424 PolarHBondContact OD1-N 2.94Å; L424-S426 VanDerWaalsContact C-N 3.26Å; L424-S426 PolarHBondContact O-N 3.37Å; L424-I427 PolarHBondContact O-N 3.18Å; L424-I427 VanDerWaalsContact O-N 3.12Å; L424-C428 WeakPolarHBondContact O-CB 3.3Å; L424-C428 PolarHBondContact O-N 2.74Å; L424-C428 PolarHBondContact O-SG 3.41Å; L424-C428 VanDerWaalsContact O-SG 3.32Å; L424-L453 HydrophobicContact CD1-CD1 4.18Å; L424-L453 HydrophobicContact CD1-CD2 4.2Å; L424-L453 HydrophobicContact CD2-CD1 3.89Å; L424-L453 HydrophobicContact CG-CD1 4.48Å |
| 425 | T | 94.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.6 | -37.5 | 173.2 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | D421 L423 I427 F433 | D421-T425 VanDerWaalsContact O-CB 3.26Å; D421-T425 WeakPolarHBondContact O-CB 3.5Å; D421-T425 PolarHBondContact O-N 3.08Å; D421-T425 PolarHBondContact O-OG1 2.84Å; L423-T425 VanDerWaalsContact C-N 3.28Å; L423-T425 PolarHBondContact O-N 3.03Å; T425-I427 VanDerWaalsContact C-N 3.31Å; T425-I427 PolarHBondContact O-N 3.4Å; T425-F433 HydrophobicContact CG2-CE2 4.01Å; T425-F433 HydrophobicContact CG2-CZ 4.15Å |
| 426 | S | 92.7 | Very high | 94.7 | Very high | 74 Ų | 74 | 54.2 Ų | 54.2 | 52% | 0.517 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -73.8 | -20.7 | 177.4 | 78.9 | 0 | 0 | 0 | 0 | 114.1 | K422 L423 L424 | K422-S426 PolarHBondContact O-N 3.32Å; L423-S426 WeakPolarHBondContact O-CB 3.49Å; L423-S426 PolarHBondContact O-N 3.21Å; L423-S426 PolarHBondContact O-OG 2.86Å; L424-S426 VanDerWaalsContact C-N 3.26Å; L424-S426 PolarHBondContact O-N 3.37Å |
| 427 | I | 93.2 | Very high | 94.4 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -94.4 | -35 | -176.3 | -66.5 | 164.5 | 0 | 0 | 0 | 111.2 | V376 L379 L423 L424 T425 N460 | V376-I427 HydrophobicContact CB-CD1 4.5Å; V376-I427 HydrophobicContact CB-CG2 4.31Å; V376-I427 HydrophobicContact CG2-CD1 4.15Å; V376-I427 HydrophobicContact CG2-CG2 3.97Å; L379-I427 HydrophobicContact CB-CD1 4.07Å; L379-I427 HydrophobicContact CD1-CD1 4.3Å; L423-I427 HydrophobicContact CD1-CD1 4.04Å; L423-I427 HydrophobicContact CG-CD1 3.93Å; L423-I427 WeakPolarHBondContact O-CG1 3.26Å; L423-I427 PolarHBondContact O-N 3.01Å; L424-I427 PolarHBondContact O-N 3.18Å; L424-I427 VanDerWaalsContact O-N 3.12Å; T425-I427 VanDerWaalsContact C-N 3.31Å; T425-I427 PolarHBondContact O-N 3.4Å; I427-N460 PolarHBondContact O-ND2 3.37Å |
| 428 | C | 94.7 | Very high | 94.1 | Very high | 8 Ų | 8 | 63.9 Ų | 63.9 | 5% | 0.054 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -95.8 | 146.1 | -171.4 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | L424 F433 I448 Q456 | L424-C428 WeakPolarHBondContact O-CB 3.3Å; L424-C428 PolarHBondContact O-N 2.74Å; L424-C428 PolarHBondContact O-SG 3.41Å; L424-C428 VanDerWaalsContact O-SG 3.32Å; C428-F433 HydrophobicContact CB-CE1 3.69Å; C428-F433 HydrophobicContact CB-CZ 4.42Å; C428-F433 WeakPolarHBondContact O-CZ 3.41Å; C428-I448 HydrophobicContact CB-CD1 4Å; C428-Q456 HydrophobicContact CB-CB 4.41Å |
| 429 | E | 93.7 | Very high | 93.8 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | trans | -74.2 | 132.8 | 178.3 | -69.4 | 171.3 | 171.1 | 0 | 0 | 111.2 | K431 T432 F433 Q456 K459 | E429-K431 HydrophobicContact CB-CG 4.24Å; E429-K431 PolarHBondContact O-N 3.18Å; E429-K431 WeakPolarHBondContact OE2-CE 3.44Å; E429-K431 IonicContact OE2-NZ 2.88Å; E429-K431 PolarHBondContact OE2-NZ 3.09Å; E429-T432 PolarHBondContact O-N 3.32Å; E429-T432 PolarHBondContact O-OG1 3.41Å; E429-F433 WeakPolarHBondContact O-CE1 3.47Å; E429-Q456 PolarHBondContact OE2-NE2 2.96Å; E429-K459 IonicContact OE1-NZ 3.17Å; E429-K459 PolarHBondContact OE1-NZ 3.45Å; E429-K459 IonicContact OE2-NZ 2.63Å | ||
| 430 | P | 94.4 | Very high | 93.5 | Very high | 100 Ų | 100 | 65 Ų | 65 | 65% | 0.649 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -54.1 | -27.8 | -175.5 | -30.4 | 35.5 | 0 | 0 | 0 | 116 | T432 F433 | P430-T432 PolarHBondContact O-N 3.22Å; P430-F433 HydrophobicContact CB-CD2 4.28Å; P430-F433 HydrophobicContact CB-CE2 4.14Å; P430-F433 HydrophobicContact CB-CZ 4.5Å; P430-F433 HydrophobicContact CG-CE2 4.31Å; P430-F433 HydrophobicContact CG-CZ 4.44Å; P430-F433 VanDerWaalsContact O-CB 3.3Å; P430-F433 WeakPolarHBondContact O-CB 3.48Å; P430-F433 WeakPolarHBondContact O-CG 3.09Å; P430-F433 PolarHBondContact O-N 2.94Å |
| 431 | K | 94.7 | Very high | 93.1 | Very high | 164 Ų | 164 | 73.2 Ų | 73.2 | 71% | 0.713 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -64.6 | -15.3 | 177 | 71 | -175.9 | -177.3 | -153.8 | 0 | 114.4 | E429 | E429-K431 HydrophobicContact CB-CG 4.24Å; E429-K431 PolarHBondContact O-N 3.18Å; E429-K431 WeakPolarHBondContact OE2-CE 3.44Å; E429-K431 IonicContact OE2-NZ 2.88Å; E429-K431 PolarHBondContact OE2-NZ 3.09Å |
| 432 | T | 95 | Very high | 92.8 | Very high | 22 Ų | 22 | 77.2 Ų | 77.2 | 14% | 0.135 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -93.8 | 0.8 | 175.9 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | E429 P430 I448 Q456 | E429-T432 PolarHBondContact O-N 3.32Å; E429-T432 PolarHBondContact O-OG1 3.41Å; P430-T432 PolarHBondContact O-N 3.22Å; T432-I448 WeakPolarHBondContact OG1-CD1 3.31Å; T432-Q456 HydrophobicContact CG2-CG 4.31Å |
| 433 | F | 96.3 | Very high | 92.7 | Very high | 39 Ų | 39 | 72.4 Ų | 72.4 | 17% | 0.171 | 40% | 0.401 | C | S | . | . | trans | -81.9 | 141.8 | -176.7 | -60.1 | -0.6 | 0 | 0 | 0 | 109.9 | L420 T425 C428 E429 P430 F446 H447 | L420-F433 HydrophobicContact CD1-CB 4.3Å; L420-F433 HydrophobicContact CD1-CD1 3.26Å; L420-F433 HydrophobicContact CD1-CD2 4.12Å; L420-F433 HydrophobicContact CD1-CE1 3.51Å; L420-F433 HydrophobicContact CD1-CE2 4.3Å; L420-F433 HydrophobicContact CD1-CG 3.62Å; L420-F433 HydrophobicContact CD1-CZ 4.03Å; T425-F433 HydrophobicContact CG2-CE2 4.01Å; T425-F433 HydrophobicContact CG2-CZ 4.15Å; C428-F433 HydrophobicContact CB-CE1 3.69Å; C428-F433 HydrophobicContact CB-CZ 4.42Å; C428-F433 WeakPolarHBondContact O-CZ 3.41Å; E429-F433 WeakPolarHBondContact O-CE1 3.47Å; P430-F433 HydrophobicContact CB-CD2 4.28Å; P430-F433 HydrophobicContact CB-CE2 4.14Å; P430-F433 HydrophobicContact CB-CZ 4.5Å; P430-F433 HydrophobicContact CG-CE2 4.31Å; P430-F433 HydrophobicContact CG-CZ 4.44Å; P430-F433 VanDerWaalsContact O-CB 3.3Å; P430-F433 WeakPolarHBondContact O-CB 3.48Å; P430-F433 WeakPolarHBondContact O-CG 3.09Å; P430-F433 PolarHBondContact O-N 2.94Å; F433-F446 HydrophobicContact CB-CB 4.22Å; F433-F446 HydrophobicContact CB-CD1 4.08Å; F433-F446 HydrophobicContact CB-CG 4.3Å; F433-F446 HydrophobicContact CD2-CB 4.3Å; F433-F446 HydrophobicContact CD2-CD1 4.38Å; F433-F446 HydrophobicContact CD2-CD2 4.29Å; F433-F446 HydrophobicContact CD2-CG 4.07Å; F433-F446 HydrophobicContact CG-CB 4.4Å; F433-H447 CarbonylContact C-O 3.55Å; F433-H447 WeakPolarHBondContact CA-O 3.45Å | ||
| 434 | I | 95.8 | Very high | 92.5 | Very high | 64 Ų | 64 | 74.4 Ų | 74.4 | 33% | 0.328 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115.5 | 173.3 | -59.7 | 170.1 | 0 | 0 | 0 | 105.8 | L417 F446 H447 R449 | L417-I434 HydrophobicContact CD2-CD1 3.74Å; I434-F446 CarbonylContact O-C 3.57Å; I434-H447 HydrophobicContact CB-CB 4.39Å; I434-H447 PolarHBondContact N-O 3.46Å; I434-H447 PolarHBondContact O-N 2.84Å; I434-R449 HydrophobicContact CD1-CG 3.98Å |
| 435 | E | 93.9 | Very high | 92.5 | Very high | 118 Ų | 118 | 75.8 Ų | 75.8 | 55% | 0.551 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 133.9 | 178.9 | -170.9 | 164.3 | -163.3 | 0 | 0 | 110.6 | S439 F446 | E435-S439 VanDerWaalsContact CG-CB 3.45Å; E435-S439 WeakPolarHBondContact CG-OG 3.34Å; E435-S439 VanDerWaalsContact OE1-CB 3.31Å; E435-S439 WeakPolarHBondContact OE1-CB 3.46Å; E435-S439 PolarHBondContact OE1-OG 2.97Å; E435-F446 HydrophobicContact CB-CD1 4.14Å; E435-F446 HydrophobicContact CB-CE1 4.12Å; E435-F446 HydrophobicContact CG-CD1 4.36Å; E435-F446 HydrophobicContact CG-CE1 4.1Å |
| 436 | S | 92.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 76 Ų | 76 | 7% | 0.07 | 42% | 0.419 | C | S | . | . | trans | -69.5 | 145.1 | 176.4 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | E438 S439 I445 H447 | S436-E438 PolarHBondContact O-N 3.35Å; S436-E438 VanDerWaalsContact O-N 3.14Å; S436-E438 PolarHBondContact OG-N 2.86Å; S436-E438 VanDerWaalsContact OG-N 3.16Å; S436-S439 WeakPolarHBondContact O-CB 3.39Å; S436-S439 PolarHBondContact O-N 3.27Å; S436-I445 WeakPolarHBondContact CB-O 3.38Å; S436-I445 PolarHBondContact N-O 3.14Å; S436-H447 WeakPolarHBondContact CB-NE2 3.04Å | ||
| 437 | P | 88.8 | Confident | 92.8 | Very high | 135 Ų | 135 | 73.3 Ų | 73.3 | 88% | 0.877 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.6 | 167.2 | -21.9 | 32.8 | 0 | 0 | 0 | 113.7 | S439 | P437-S439 VanDerWaalsContact C-N 3.31Š|
| 438 | E | 89.6 | Confident | 93 | Very high | 155 Ų | 155 | 72.9 Ų | 72.9 | 72% | 0.724 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.3 | 178.8 | -60.4 | 170 | -177.7 | 0 | 0 | 112.7 | S436 I445 | S436-E438 PolarHBondContact O-N 3.35Å; S436-E438 VanDerWaalsContact O-N 3.14Å; S436-E438 PolarHBondContact OG-N 2.86Å; S436-E438 VanDerWaalsContact OG-N 3.16Å; E438-I445 HydrophobicContact CB-CD1 4.38Å |
| 439 | S | 90.1 | Very high | 93.1 | Very high | 21 Ų | 21 | 79.7 Ų | 79.7 | 15% | 0.147 | 42% | 0.42 | C | S | . | . | trans | -63.9 | 137.2 | 178.9 | -170.7 | 0 | 0 | 0 | 0 | 110.8 | E435 S436 P437 P444 I445 | E435-S439 VanDerWaalsContact CG-CB 3.45Å; E435-S439 WeakPolarHBondContact CG-OG 3.34Å; E435-S439 VanDerWaalsContact OE1-CB 3.31Å; E435-S439 WeakPolarHBondContact OE1-CB 3.46Å; E435-S439 PolarHBondContact OE1-OG 2.97Å; S436-S439 WeakPolarHBondContact O-CB 3.39Å; S436-S439 PolarHBondContact O-N 3.27Å; P437-S439 VanDerWaalsContact C-N 3.31Å; S439-P444 WeakPolarHBondContact OG-CA 3.33Å; S439-I445 PolarHBondContact OG-N 2.82Å | ||
| 440 | T | 90.6 | Very high | 93.1 | Very high | 71 Ų | 71 | 80 Ų | 80 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -127.5 | 159.8 | 174.7 | 59 | 0 | 0 | 0 | 0 | 110.1 | S442 N443 | T440-S442 PolarHBondContact O-N 3.42Å; T440-N443 PolarHBondContact N-O 2.97Å; T440-N443 VanDerWaalsContact N-O 3.1Å; T440-N443 CarbonylContact O-C 3.03Å; T440-N443 PolarHBondContact O-N 2.91Å; T440-N443 PolarHBondContact OG1-N 2.82Å; T440-N443 PolarHBondContact OG1-O 2.79Å |
| 441 | I | 86.9 | Confident | 93.1 | Very high | 181 Ų | 181 | 77.4 Ų | 77.4 | 93% | 0.928 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -36.6 | 179.1 | -61.9 | 171.7 | 0 | 0 | 0 | 111.6 | ||
| 442 | S | 89.8 | Confident | 93.1 | Very high | 116 Ų | 116 | 72.8 Ų | 72.8 | 81% | 0.811 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -21.4 | 178.4 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | T440 | T440-S442 PolarHBondContact O-N 3.42Š|
| 443 | N | 89.5 | Confident | 93.1 | Very high | 96 Ų | 96 | 71.8 Ų | 71.8 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -141.6 | 83.2 | 179.2 | -173.9 | 38.8 | 0 | 0 | 0 | 110.1 | T440 I445 | T440-N443 PolarHBondContact N-O 2.97Å; T440-N443 VanDerWaalsContact N-O 3.1Å; T440-N443 CarbonylContact O-C 3.03Å; T440-N443 PolarHBondContact O-N 2.91Å; T440-N443 PolarHBondContact OG1-N 2.82Å; T440-N443 PolarHBondContact OG1-O 2.79Å; N443-I445 PolarHBondContact O-N 3.01Å |
| 444 | P | 91 | Very high | 93 | Very high | 71 Ų | 71 | 70.6 Ų | 70.6 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | trans | -73 | 128.3 | -179.2 | 28.7 | -33.9 | 0 | 0 | 0 | 110.6 | S439 F446 | S439-P444 WeakPolarHBondContact OG-CA 3.33Å; P444-F446 HydrophobicContact CB-CE2 3.72Å; P444-F446 HydrophobicContact CB-CZ 3.95Å; P444-F446 HydrophobicContact CG-CE2 4.41Å | ||
| 445 | I | 94.2 | Very high | 93 | Very high | 30 Ų | 30 | 71 Ų | 71 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | trans | -117.2 | 118.1 | -178.1 | -59.9 | 173.7 | 0 | 0 | 0 | 108.6 | S436 E438 S439 N443 | S436-I445 WeakPolarHBondContact CB-O 3.38Å; S436-I445 PolarHBondContact N-O 3.14Å; E438-I445 HydrophobicContact CB-CD1 4.38Å; S439-I445 PolarHBondContact OG-N 2.82Å; N443-I445 PolarHBondContact O-N 3.01Å | ||
| 446 | F | 96.7 | Very high | 93 | Very high | 59 Ų | 59 | 66.2 Ų | 66.2 | 26% | 0.259 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 149.2 | 179.6 | -58.6 | -69.8 | 0 | 0 | 0 | 112.2 | L420 F433 I434 E435 P444 | L420-F446 HydrophobicContact CB-CB 4.34Å; L420-F446 HydrophobicContact CD1-CB 3.9Å; L420-F446 PolarHBondContact N-O 2.86Å; F433-F446 HydrophobicContact CB-CB 4.22Å; F433-F446 HydrophobicContact CB-CD1 4.08Å; F433-F446 HydrophobicContact CB-CG 4.3Å; F433-F446 HydrophobicContact CD2-CB 4.3Å; F433-F446 HydrophobicContact CD2-CD1 4.38Å; F433-F446 HydrophobicContact CD2-CD2 4.29Å; F433-F446 HydrophobicContact CD2-CG 4.07Å; F433-F446 HydrophobicContact CG-CB 4.4Å; I434-F446 CarbonylContact O-C 3.57Å; E435-F446 HydrophobicContact CB-CD1 4.14Å; E435-F446 HydrophobicContact CB-CE1 4.12Å; E435-F446 HydrophobicContact CG-CD1 4.36Å; E435-F446 HydrophobicContact CG-CE1 4.1Å; P444-F446 HydrophobicContact CB-CE2 3.72Å; P444-F446 HydrophobicContact CB-CZ 3.95Å; P444-F446 HydrophobicContact CG-CE2 4.41Å |
| 447 | H | 96.8 | Very high | 93 | Very high | 17 Ų | 17 | 65.7 Ų | 65.7 | 8% | 0.079 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 163.1 | 173.6 | -56.2 | -53.9 | 0 | 0 | 0 | 110.4 | L411 V418 H419 F433 I434 S436 | L411-H447 HydrophobicContact CD1-CB 4.4Å; V418-H447 CarbonylContact O-C 3.59Å; V418-H447 WeakPolarHBondContact O-CA 3.49Å; H419-H447 AromaticContact ND1-CE1 3.9Å; H419-H447 AromaticContact ND1-ND1 3.95Å; F433-H447 CarbonylContact C-O 3.55Å; F433-H447 WeakPolarHBondContact CA-O 3.45Å; I434-H447 HydrophobicContact CB-CB 4.39Å; I434-H447 PolarHBondContact N-O 3.46Å; I434-H447 PolarHBondContact O-N 2.84Å; S436-H447 WeakPolarHBondContact CB-NE2 3.04Å |
| 448 | I | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 146.4 | 173 | -170.9 | 166.4 | 0 | 0 | 0 | 109 | L417 V418 L420 C428 T432 D452 L453 | L417-I448 WeakPolarHBondContact CA-O 3.48Å; V418-I448 HydrophobicContact CB-CG2 4.1Å; V418-I448 PolarHBondContact N-O 2.94Å; V418-I448 PolarHBondContact O-N 2.9Å; L420-I448 HydrophobicContact CD1-CB 4.15Å; L420-I448 HydrophobicContact CD2-CB 4.06Å; L420-I448 HydrophobicContact CD2-CG2 3.6Å; L420-I448 HydrophobicContact CG-CB 4.08Å; L420-I448 HydrophobicContact CG-CG2 3.91Å; C428-I448 HydrophobicContact CB-CD1 4Å; T432-I448 WeakPolarHBondContact OG1-CD1 3.31Å; I448-D452 HydrophobicContact CD1-CB 4.16Å; I448-D452 HydrophobicContact CG1-CB 3.92Å; I448-L453 HydrophobicContact CD1-CB 4.2Å; I448-L453 HydrophobicContact CG1-CB 4.42Å; I448-L453 HydrophobicContact CG2-CB 3.93Å |
| 449 | R | 96.9 | Very high | 93.2 | Very high | 151 Ų | 151 | 58.1 Ų | 58.1 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 139.1 | 170.5 | -62 | -178.8 | 179.3 | -153.9 | -0.9 | 109.4 | S416 L417 I434 G451 D452 L453 | S416-R449 WeakPolarHBondContact O-CA 3.39Å; L417-R449 HydrophobicContact CD2-CG 3.91Å; I434-R449 HydrophobicContact CD1-CG 3.98Å; R449-G451 PolarHBondContact O-N 3.49Å; R449-D452 HydrophobicContact CB-CB 4.39Å; R449-D452 WeakPolarHBondContact CB-OD2 3.33Å; R449-D452 PolarHBondContact O-N 3.23Å; R449-L453 PolarHBondContact O-N 3.23Å |
| 450 | F | 94.1 | Very high | 93.1 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 26% | 0.259 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56 | -39 | -178.1 | -171.7 | -104.2 | 0 | 0 | 0 | 112.8 | D401 V404 S416 V418 D452 L453 I454 | D401-F450 HydrophobicContact CB-CZ 4.05Å; V404-F450 HydrophobicContact CB-CE2 4.46Å; V404-F450 HydrophobicContact CG2-CE2 4.19Å; S416-F450 PolarHBondContact O-N 3.39Å; V418-F450 HydrophobicContact CG2-CB 4.33Å; V418-F450 HydrophobicContact CG2-CD2 3.74Å; F450-D452 VanDerWaalsContact C-N 3.34Å; F450-D452 PolarHBondContact O-N 3.43Å; F450-L453 PolarHBondContact O-N 2.69Å; F450-I454 HydrophobicContact CD1-CG1 4.31Å; F450-I454 HydrophobicContact CE1-CD1 4.35Å; F450-I454 HydrophobicContact CE1-CG1 4.01Å; F450-I454 HydrophobicContact CZ-CD1 4.2Å; F450-I454 HydrophobicContact CZ-CG1 4.25Å; F450-I454 WeakPolarHBondContact O-CG1 3.49Å; F450-I454 PolarHBondContact O-N 3.45Å; F450-I454 VanDerWaalsContact O-N 3.07Å |
| 451 | G | 93.6 | Very high | 93.1 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 49% | 0.485 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R449 S455 | R449-G451 PolarHBondContact O-N 3.49Å; G451-S455 WeakPolarHBondContact O-CB 3.3Å; G451-S455 PolarHBondContact O-N 3.42Å; G451-S455 VanDerWaalsContact O-N 3.11Å; G451-S455 PolarHBondContact O-OG 2.99Å |
| 452 | D | 95.8 | Very high | 93.3 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73.6 | -40.2 | 177.9 | -66.9 | -36.5 | 0 | 0 | 0 | 111 | I448 R449 F450 I454 S455 Q456 | I448-D452 HydrophobicContact CD1-CB 4.16Å; I448-D452 HydrophobicContact CG1-CB 3.92Å; R449-D452 HydrophobicContact CB-CB 4.39Å; R449-D452 WeakPolarHBondContact CB-OD2 3.33Å; R449-D452 PolarHBondContact O-N 3.23Å; F450-D452 VanDerWaalsContact C-N 3.34Å; F450-D452 PolarHBondContact O-N 3.43Å; D452-I454 PolarHBondContact O-N 3.19Å; D452-S455 PolarHBondContact O-N 2.89Å; D452-S455 VanDerWaalsContact O-N 3.16Å; D452-Q456 WeakPolarHBondContact O-CB 3.45Å; D452-Q456 VanDerWaalsContact O-CG 3.3Å; D452-Q456 WeakPolarHBondContact O-CG 3.49Å; D452-Q456 PolarHBondContact O-N 2.63Å |
| 453 | L | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.3 | -50.9 | 173.1 | 171.5 | 60.8 | 0 | 0 | 0 | 111.4 | I400 V404 V418 L424 I448 R449 F450 S455 Q456 A457 | I400-L453 HydrophobicContact CG2-CD2 4.29Å; I400-L453 HydrophobicContact CG2-CG 4.18Å; V404-L453 HydrophobicContact CG2-CD2 3.59Å; V418-L453 HydrophobicContact CB-CD2 4.35Å; V418-L453 HydrophobicContact CG1-CD2 4.1Å; V418-L453 HydrophobicContact CG2-CD2 4.26Å; L424-L453 HydrophobicContact CD1-CD1 4.18Å; L424-L453 HydrophobicContact CD1-CD2 4.2Å; L424-L453 HydrophobicContact CD2-CD1 3.89Å; L424-L453 HydrophobicContact CG-CD1 4.48Å; I448-L453 HydrophobicContact CD1-CB 4.2Å; I448-L453 HydrophobicContact CG1-CB 4.42Å; I448-L453 HydrophobicContact CG2-CB 3.93Å; R449-L453 PolarHBondContact O-N 3.23Å; F450-L453 PolarHBondContact O-N 2.69Å; L453-S455 VanDerWaalsContact C-N 3.29Å; L453-S455 PolarHBondContact O-N 3Å; L453-Q456 PolarHBondContact O-N 3.27Å; L453-A457 WeakPolarHBondContact O-CB 3.45Å; L453-A457 PolarHBondContact O-N 2.68Å |
| 454 | I | 94.2 | Very high | 93.4 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 177.5 | -68.2 | -71.6 | 0 | 0 | 0 | 110.5 | R397 I400 F450 D452 L458 | R397-I454 HydrophobicContact CB-CD1 4.48Å; R397-I454 HydrophobicContact CG-CD1 4.37Å; R397-I454 HydrophobicContact CG-CG2 3.87Å; I400-I454 HydrophobicContact CB-CD1 3.81Å; I400-I454 HydrophobicContact CD1-CD1 4.1Å; I400-I454 HydrophobicContact CG2-CD1 3.64Å; F450-I454 HydrophobicContact CD1-CG1 4.31Å; F450-I454 HydrophobicContact CE1-CD1 4.35Å; F450-I454 HydrophobicContact CE1-CG1 4.01Å; F450-I454 HydrophobicContact CZ-CD1 4.2Å; F450-I454 HydrophobicContact CZ-CG1 4.25Å; F450-I454 WeakPolarHBondContact O-CG1 3.49Å; F450-I454 PolarHBondContact O-N 3.45Å; F450-I454 VanDerWaalsContact O-N 3.07Å; D452-I454 PolarHBondContact O-N 3.19Å; I454-L458 HydrophobicContact CG2-CD1 3.79Å; I454-L458 HydrophobicContact CG2-CG 4.32Å; I454-L458 VanDerWaalsContact O-CB 3.31Å; I454-L458 WeakPolarHBondContact O-CB 3.37Å; I454-L458 WeakPolarHBondContact O-CG 3.27Å; I454-L458 PolarHBondContact O-N 3.32Å |
| 455 | S | 94.2 | Very high | 93.4 | Very high | 72 Ų | 72 | 41 Ų | 41 | 50% | 0.503 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.3 | -43.6 | -178.6 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | G451 D452 L453 K459 | G451-S455 WeakPolarHBondContact O-CB 3.3Å; G451-S455 PolarHBondContact O-N 3.42Å; G451-S455 VanDerWaalsContact O-N 3.11Å; G451-S455 PolarHBondContact O-OG 2.99Å; D452-S455 PolarHBondContact O-N 2.89Å; D452-S455 VanDerWaalsContact O-N 3.16Å; L453-S455 VanDerWaalsContact C-N 3.29Å; L453-S455 PolarHBondContact O-N 3Å; S455-K459 VanDerWaalsContact O-CB 3.24Å; S455-K459 WeakPolarHBondContact O-CB 3.43Å; S455-K459 PolarHBondContact O-N 2.9Å |
| 456 | Q | 94 | Very high | 92.9 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66 | -46.6 | 177.9 | -71.1 | -68.2 | -23.6 | 0 | 0 | 111.7 | C428 E429 T432 D452 L453 L458 K459 N460 | C428-Q456 HydrophobicContact CB-CB 4.41Å; E429-Q456 PolarHBondContact OE2-NE2 2.96Å; T432-Q456 HydrophobicContact CG2-CG 4.31Å; D452-Q456 WeakPolarHBondContact O-CB 3.45Å; D452-Q456 VanDerWaalsContact O-CG 3.3Å; D452-Q456 WeakPolarHBondContact O-CG 3.49Å; D452-Q456 PolarHBondContact O-N 2.63Å; L453-Q456 PolarHBondContact O-N 3.27Å; Q456-L458 PolarHBondContact O-N 3.33Å; Q456-K459 PolarHBondContact O-N 3.16Å; Q456-N460 PolarHBondContact O-N 3.03Å; Q456-N460 PolarHBondContact O-ND2 2.6Å |
| 457 | A | 93 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V376 I400 L453 N460 | V376-A457 HydrophobicContact CG2-CB 4.27Å; I400-A457 HydrophobicContact CD1-CB 3.52Å; I400-A457 HydrophobicContact CG1-CB 4.12Å; L453-A457 WeakPolarHBondContact O-CB 3.45Å; L453-A457 PolarHBondContact O-N 2.68Å; A457-N460 PolarHBondContact O-N 2.91Å |
| 458 | L | 92.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.4 | -32.9 | 177.6 | -70 | 179.6 | 0 | 0 | 0 | 113.2 | R370 Q393 A396 R397 I400 I454 Q456 N460 L461 | R370-L458 PolarHBondContact NH1-O 3.37Å; Q393-L458 HydrophobicContact CG-CD1 4.16Å; A396-L458 HydrophobicContact CB-CD2 3.65Å; R397-L458 HydrophobicContact CG-CD1 4.07Å; I400-L458 HydrophobicContact CD1-CD2 4.42Å; I454-L458 HydrophobicContact CG2-CD1 3.79Å; I454-L458 HydrophobicContact CG2-CG 4.32Å; I454-L458 VanDerWaalsContact O-CB 3.31Å; I454-L458 WeakPolarHBondContact O-CB 3.37Å; I454-L458 WeakPolarHBondContact O-CG 3.27Å; I454-L458 PolarHBondContact O-N 3.32Å; Q456-L458 PolarHBondContact O-N 3.33Å; L458-N460 PolarHBondContact O-N 3.25Å; L458-L461 HydrophobicContact CD2-CD1 3.95Å; L458-L461 PolarHBondContact O-N 2.79Å; L458-L461 VanDerWaalsContact O-N 3.15Å |
| 459 | K | 90.7 | Very high | 90.8 | Very high | 121 Ų | 121 | 38.5 Ų | 38.5 | 53% | 0.526 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.8 | -34.8 | 176.4 | 179.2 | -173.5 | 174.4 | -170.8 | 0 | 111.8 | E429 S455 Q456 L461 | E429-K459 IonicContact OE1-NZ 3.17Å; E429-K459 PolarHBondContact OE1-NZ 3.45Å; E429-K459 IonicContact OE2-NZ 2.63Å; S455-K459 VanDerWaalsContact O-CB 3.24Å; S455-K459 WeakPolarHBondContact O-CB 3.43Å; S455-K459 PolarHBondContact O-N 2.9Å; Q456-K459 PolarHBondContact O-N 3.16Å; K459-L461 PolarHBondContact O-N 3.34Å |
| 460 | N | 87.3 | Confident | 89.7 | Confident | 56 Ų | 56 | 35.2 Ų | 35.2 | 30% | 0.299 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -8.8 | 178.4 | -70.3 | -28.2 | 0 | 0 | 0 | 113.5 | V376 I427 Q456 A457 L458 | V376-N460 HydrophobicContact CB-CB 4.21Å; V376-N460 HydrophobicContact CG1-CB 4.23Å; I427-N460 PolarHBondContact O-ND2 3.37Å; Q456-N460 PolarHBondContact O-N 3.03Å; Q456-N460 PolarHBondContact O-ND2 2.6Å; A457-N460 PolarHBondContact O-N 2.91Å; L458-N460 PolarHBondContact O-N 3.25Å |
| 461 | L | 90.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -90.6 | 136.5 | 173 | -58.5 | 172.1 | 0 | 0 | 0 | 111.2 | R370 I372 V376 F380 A396 L458 K459 T463 | R370-L461 HydrophobicContact CB-CB 3.83Å; R370-L461 HydrophobicContact CB-CD1 3.84Å; R370-L461 HydrophobicContact CB-CG 4.42Å; R370-L461 HydrophobicContact CG-CB 4.21Å; R370-L461 HydrophobicContact CG-CD1 4.14Å; I372-L461 HydrophobicContact CB-CD2 4.26Å; I372-L461 HydrophobicContact CG1-CD2 4.04Å; I372-L461 HydrophobicContact CG2-CD2 4.47Å; V376-L461 HydrophobicContact CG1-CD2 3.5Å; V376-L461 HydrophobicContact CG1-CG 4.21Å; F380-L461 HydrophobicContact CD2-CD2 4.32Å; F380-L461 HydrophobicContact CE2-CD1 4.06Å; F380-L461 HydrophobicContact CE2-CD2 3.8Å; F380-L461 HydrophobicContact CE2-CG 4.32Å; F380-L461 HydrophobicContact CZ-CD1 3.88Å; F380-L461 HydrophobicContact CZ-CD2 4.38Å; A396-L461 HydrophobicContact CB-CD1 4.1Å; L458-L461 HydrophobicContact CD2-CD1 3.95Å; L458-L461 PolarHBondContact O-N 2.79Å; L458-L461 VanDerWaalsContact O-N 3.15Å; K459-L461 PolarHBondContact O-N 3.34Å; L461-T463 PolarHBondContact O-N 3.29Å |
| 462 | T | 89.8 | Confident | 87.3 | Confident | 57 Ų | 57 | 35.9 Ų | 35.9 | 35% | 0.35 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 126.5 | 178.4 | -56.3 | 0 | 0 | 0 | 0 | 110.1 | R370 I371 | R370-T462 CarbonylContact C-O 3.52Å; R370-T462 VanDerWaalsContact CA-O 3.31Å; R370-T462 WeakPolarHBondContact CA-O 3.41Å; I371-T462 PolarHBondContact N-O 3.49Å; I371-T462 PolarHBondContact O-N 3.31Å; I371-T462 VanDerWaalsContact O-N 3.14Å |
| 463 | T | 91.3 | Very high | 85.5 | Confident | 54 Ų | 54 | 37.6 Ų | 37.6 | 33% | 0.331 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 134.8 | 173.6 | -44.5 | 0 | 0 | 0 | 0 | 110.9 | R370 L461 | R370-T463 PolarHBondContact NH1-OG1 3.22Å; L461-T463 PolarHBondContact O-N 3.29Å |
| 464 | A | 91.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 178.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | I369 I371 I477 | I369-A464 HydrophobicContact CD1-CB 4.23Å; I369-A464 HydrophobicContact CG1-CB 4.07Å; I369-A464 WeakPolarHBondContact CG1-O 3.22Å; I369-A464 PolarHBondContact N-O 3.1Å; I369-A464 PolarHBondContact O-N 3.17Å; I371-A464 HydrophobicContact CD1-CB 3.74Å; I371-A464 HydrophobicContact CG1-CB 3.9Å; A464-I477 HydrophobicContact CB-CG2 4.45Å |
| 465 | Y | 90 | Very high | 82.8 | Confident | 24 Ų | 24 | 40.8 Ų | 40.8 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.6 | 177.8 | -50.5 | -97.7 | 0 | 0 | 0 | 110.3 | I366 E367 D368 W478 R480 K481 P483 | I366-Y465 HydrophobicContact CG2-CD1 4.14Å; I366-Y465 HydrophobicContact CG2-CG 4.44Å; E367-Y465 CarbonylContact O-C 3.56Å; E367-Y465 VanDerWaalsContact O-CA 3.3Å; E367-Y465 WeakPolarHBondContact O-CA 3.17Å; D368-Y465 WeakPolarHBondContact OD1-CD1 3.19Å; D368-Y465 WeakPolarHBondContact OD1-CE1 3.17Å; Y465-W478 AromaticContact CD2-CD1 3.8Å; Y465-W478 PolarHBondContact N-O 2.94Å; Y465-W478 PolarHBondContact O-N 2.87Å; Y465-R480 WeakPolarHBondContact CE2-O 3.35Å; Y465-K481 PolarHBondContact OH-O 3.44Å; Y465-P483 HydrophobicContact CD1-CB 3.79Å; Y465-P483 HydrophobicContact CD2-CB 4.3Å; Y465-P483 HydrophobicContact CE1-CB 3.7Å; Y465-P483 HydrophobicContact CE1-CG 4.03Å; Y465-P483 HydrophobicContact CE2-CB 4.24Å; Y465-P483 VanDerWaalsContact CE2-N 3.31Å; Y465-P483 HydrophobicContact CG-CB 4.1Å; Y465-P483 VanDerWaalsContact CZ-CD 3.44Å; Y465-P483 WeakPolarHBondContact OH-CD 3.41Å |
| 466 | R | 84.5 | Confident | 82.2 | Confident | 15 Ų | 15 | 39.2 Ų | 39.2 | 6% | 0.057 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.3 | 171.8 | -177.1 | -173.8 | -71.2 | 148.3 | -6.8 | 107.9 | I366 E367 I369 P475 I477 | I366-R466 WeakPolarHBondContact CA-O 3.42Å; E367-R466 HydrophobicContact CB-CB 4.33Å; E367-R466 PolarHBondContact N-O 2.77Å; E367-R466 PolarHBondContact O-N 3.12Å; E367-R466 IonicContact OE1-NH1 3.96Å; E367-R466 IonicContact OE2-CZ 3.92Å; E367-R466 IonicContact OE2-NH1 3.06Å; E367-R466 PolarHBondContact OE2-NH1 3.09Å; I369-R466 HydrophobicContact CD1-CB 3.96Å; I369-R466 HydrophobicContact CG1-CB 4.25Å; I369-R466 HydrophobicContact CG2-CB 3.9Å; R466-P475 HydrophobicContact CG-CB 3.43Å; R466-P475 VanDerWaalsContact CG-CB 3.43Å; R466-P475 HydrophobicContact CG-CG 3.89Å; R466-I477 HydrophobicContact CB-CD1 4.37Å; R466-I477 HydrophobicContact CG-CD1 4.27Å |
| 467 | I | 85.1 | Confident | 81.8 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 111.5 | -177.6 | -50.9 | 171.2 | 0 | 0 | 0 | 108.1 | P364 Q365 I366 Y469 P475 V476 W478 P484 | P364-I467 HydrophobicContact CB-CG2 3.58Å; P364-I467 HydrophobicContact CG-CG2 4.25Å; Q365-I467 CarbonylContact O-C 3.47Å; Q365-I467 WeakPolarHBondContact O-CA 3.2Å; I366-I467 HydrophobicContact CG1-CG1 4.35Å; I366-I467 HydrophobicContact CG1-CG2 4.26Å; I467-Y469 HydrophobicContact CB-CE2 4.41Å; I467-Y469 HydrophobicContact CG2-CD2 4.27Å; I467-Y469 HydrophobicContact CG2-CE1 4.16Å; I467-Y469 HydrophobicContact CG2-CE2 3.66Å; I467-P475 CarbonylContact O-C 3.22Å; I467-P475 VanDerWaalsContact O-CA 3.23Å; I467-P475 WeakPolarHBondContact O-CA 3.5Å; I467-V476 HydrophobicContact CB-CB 4.31Å; I467-V476 PolarHBondContact N-O 3.4Å; I467-V476 PolarHBondContact O-N 3.37Å; I467-W478 HydrophobicContact CD1-CB 3.72Å; I467-W478 HydrophobicContact CD1-CD2 4.39Å; I467-W478 HydrophobicContact CD1-CE3 4.18Å; I467-W478 HydrophobicContact CD1-CG 4.26Å; I467-W478 HydrophobicContact CG1-CB 4.3Å; I467-P484 HydrophobicContact CD1-CG 3.72Å |
| 468 | T | 80.9 | Confident | 81.4 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 15% | 0.147 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 117.5 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 109.1 | P364 Q365 | P364-T468 CarbonylContact C-O 3.56Å; P364-T468 VanDerWaalsContact CA-O 3.3Å; P364-T468 WeakPolarHBondContact CA-O 3.14Å; Q365-T468 PolarHBondContact N-O 2.96Å; Q365-T468 PolarHBondContact O-N 2.82Å |
| 469 | Y | 81 | Confident | 81.2 | Confident | 14 Ų | 14 | 47 Ų | 47 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | trans | -91.5 | 149.7 | 174.5 | -59.1 | -90 | 0 | 0 | 0 | 110.7 | P364 I467 D471 M472 V476 N506 H508 | P364-Y469 HydrophobicContact CB-CD1 3.65Å; P364-Y469 HydrophobicContact CB-CE1 3.73Å; P364-Y469 HydrophobicContact CB-CG 4.27Å; P364-Y469 HydrophobicContact CG-CD1 4.21Å; P364-Y469 HydrophobicContact CG-CE1 3.93Å; I467-Y469 HydrophobicContact CB-CE2 4.41Å; I467-Y469 HydrophobicContact CG2-CD2 4.27Å; I467-Y469 HydrophobicContact CG2-CE1 4.16Å; I467-Y469 HydrophobicContact CG2-CE2 3.66Å; Y469-D471 WeakPolarHBondContact CB-OD1 3.29Å; Y469-D471 PolarHBondContact O-N 2.92Å; Y469-M472 HydrophobicContact CD2-CG 4.36Å; Y469-M472 PolarHBondContact O-N 3.43Å; Y469-V476 HydrophobicContact CE2-CG2 3.97Å; Y469-N506 PolarHBondContact OH-O 2.95Å; Y469-H508 HydrophobicContact CD1-CB 4.04Å; Y469-H508 AromaticContact CD1-CD2 3.79Å; Y469-H508 AromaticContact CD1-CE1 3.88Å; Y469-H508 AromaticContact CD1-CG 3.53Å; Y469-H508 AromaticContact CD1-ND1 3.6Å; Y469-H508 AromaticContact CD2-CE1 3.92Å; Y469-H508 HydrophobicContact CE1-CB 4.13Å; Y469-H508 AromaticContact CE1-CD2 3.44Å; Y469-H508 VanDerWaalsContact CE1-CD2 3.44Å; Y469-H508 WeakPolarHBondContact CE1-CD2 3.5Å; Y469-H508 AromaticContact CE1-CG 3.62Å; Y469-H508 AromaticContact CE1-NE2 3.85Å; Y469-H508 AromaticContact CE2-NE2 3.84Å; Y469-H508 AromaticContact CG-CE1 3.75Å; Y469-H508 AromaticContact CG-ND1 3.79Å; Y469-H508 AromaticContact CZ-CD2 3.69Å; Y469-H508 AromaticContact CZ-NE2 3.74Å | ||
| 470 | P | 73.5 | Confident | 81 | Confident | 82 Ų | 82 | 47.8 Ų | 47.8 | 53% | 0.532 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -29.6 | -179.9 | -26.5 | 36.3 | 0 | 0 | 0 | 114.9 | M361 | M361-P470 WeakPolarHBondContact O-CB 3.28Å; M361-P470 WeakPolarHBondContact O-CG 3.07Å |
| 471 | D | 72.8 | Confident | 80.7 | Confident | 88 Ų | 88 | 54.4 Ų | 54.4 | 47% | 0.471 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -3 | -176.8 | 60.6 | -26.2 | 0 | 0 | 0 | 113.6 | M361 Y469 H508 | M361-D471 HydrophobicContact CB-CB 4.17Å; M361-D471 HydrophobicContact CG-CB 4Å; Y469-D471 WeakPolarHBondContact CB-OD1 3.29Å; Y469-D471 PolarHBondContact O-N 2.92Å; D471-H508 IonicContact OD1-CE1 2.65Å; D471-H508 IonicContact OD1-ND1 3.72Å; D471-H508 IonicContact OD2-ND1 2.92Å |
| 472 | M | 64.8 | Low | 80.6 | Confident | 33 Ų | 33 | 59.4 Ų | 59.4 | 16% | 0.163 | 31% | 0.31 | C | S | . | . | trans | -117.1 | 127.3 | -173 | -63.2 | -127.8 | 68.4 | 0 | 0 | 111.5 | I189 Y469 | I189-M472 HydrophobicContact CB-CE 3.47Å; I189-M472 VanDerWaalsContact CB-CE 3.47Å; I189-M472 HydrophobicContact CB-SD 3.65Å; I189-M472 HydrophobicContact CD1-SD 3.59Å; I189-M472 VanDerWaalsContact CD1-SD 3.59Å; I189-M472 HydrophobicContact CG1-SD 4.21Å; I189-M472 HydrophobicContact CG2-CE 3.86Å; I189-M472 HydrophobicContact CG2-SD 4.23Å; I189-M472 WeakPolarHBondContact O-CE 3.28Å; Y469-M472 HydrophobicContact CD2-CG 4.36Å; Y469-M472 PolarHBondContact O-N 3.43Å | ||
| 473 | S | 57.1 | Low | 80.7 | Confident | 102 Ų | 102 | 57.9 Ų | 57.9 | 71% | 0.713 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -73.2 | -30.4 | 177.5 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | P191 | P191-S473 WeakPolarHBondContact CG-OG 3.25Š|
| 474 | T | 61.4 | Low | 80.8 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 23% | 0.233 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -105.7 | 134.8 | 177.7 | 45.7 | 0 | 0 | 0 | 0 | 112.5 | P191 | P191-T474 HydrophobicContact CB-CG2 3.51Å; P191-T474 HydrophobicContact CG-CG2 3.71Å |
| 475 | P | 72.6 | Confident | 81 | Confident | 45 Ų | 45 | 56.3 Ų | 56.3 | 29% | 0.292 | 29% | 0.29 | S | S | . | . | trans | -74.6 | 150.3 | 174.4 | 30.8 | -33.9 | 0 | 0 | 0 | 112 | R466 I467 | R466-P475 HydrophobicContact CG-CB 3.43Å; R466-P475 VanDerWaalsContact CG-CB 3.43Å; R466-P475 HydrophobicContact CG-CG 3.89Å; I467-P475 CarbonylContact O-C 3.22Å; I467-P475 VanDerWaalsContact O-CA 3.23Å; I467-P475 WeakPolarHBondContact O-CA 3.5Å | ||
| 476 | V | 81.6 | Confident | 81.4 | Confident | 39 Ų | 39 | 55.2 Ų | 55.2 | 24% | 0.236 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 134.2 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | I189 I467 Y469 | I189-V476 HydrophobicContact CD1-CG2 3.29Å; I189-V476 HydrophobicContact CG1-CG2 4.32Å; I467-V476 HydrophobicContact CB-CB 4.31Å; I467-V476 PolarHBondContact N-O 3.4Å; I467-V476 PolarHBondContact O-N 3.37Å; Y469-V476 HydrophobicContact CE2-CG2 3.97Å |
| 477 | I | 84.9 | Confident | 82 | Confident | 71 Ų | 71 | 56.1 Ų | 56.1 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 106.6 | 173.5 | -53.9 | -56.4 | 0 | 0 | 0 | 109.8 | I369 I371 A464 R466 N479 | I369-I477 HydrophobicContact CD1-CD1 3.8Å; I369-I477 HydrophobicContact CD1-CG2 4.25Å; I371-I477 HydrophobicContact CD1-CG2 4.42Å; A464-I477 HydrophobicContact CB-CG2 4.45Å; R466-I477 HydrophobicContact CB-CD1 4.37Å; R466-I477 HydrophobicContact CG-CD1 4.27Å; I477-N479 PolarHBondContact O-N 3.21Å |
| 478 | W | 86.2 | Confident | 82.6 | Confident | 33 Ų | 33 | 56.4 Ų | 56.4 | 13% | 0.125 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 89.5 | 174.5 | -173.9 | -88.1 | 0 | 0 | 0 | 110.2 | Y465 I467 R480 E482 P484 N506 | Y465-W478 AromaticContact CD2-CD1 3.8Å; Y465-W478 PolarHBondContact N-O 2.94Å; Y465-W478 PolarHBondContact O-N 2.87Å; I467-W478 HydrophobicContact CD1-CB 3.72Å; I467-W478 HydrophobicContact CD1-CD2 4.39Å; I467-W478 HydrophobicContact CD1-CE3 4.18Å; I467-W478 HydrophobicContact CD1-CG 4.26Å; I467-W478 HydrophobicContact CG1-CB 4.3Å; W478-R480 VanDerWaalsContact C-N 3.29Å; W478-R480 HydrophobicContact CZ2-CG 4.46Å; W478-R480 PolarHBondContact O-N 3.19Å; W478-E482 PolarHBondContact NE1-O 2.84Å; W478-P484 HydrophobicContact CD2-CB 4.34Å; W478-P484 HydrophobicContact CE3-CB 4.4Å; W478-P484 HydrophobicContact CH2-CB 4.12Å; W478-P484 HydrophobicContact CZ2-CB 4.04Å; W478-P484 HydrophobicContact CZ3-CB 4.3Å; W478-N506 WeakPolarHBondContact CH2-ND2 3.48Å |
| 479 | N | 88 | Confident | 83.4 | Confident | 86 Ų | 86 | 56.8 Ų | 56.8 | 46% | 0.46 | 29% | 0.291 | S | S | . | . | trans | -84.3 | 69.2 | 179.6 | -173.5 | 15.7 | 0 | 0 | 0 | 111.5 | I371 I477 | I371-N479 HydrophobicContact CD1-CB 4.2Å; I477-N479 PolarHBondContact O-N 3.21Å | ||
| 480 | R | 85.2 | Confident | 84.1 | Confident | 137 Ų | 137 | 59.3 Ų | 59.3 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -134.1 | 161.8 | 171.8 | -53.5 | -170.4 | -177.4 | -174.3 | -4 | 109.5 | Y465 W478 E482 | Y465-R480 WeakPolarHBondContact CE2-O 3.35Å; W478-R480 VanDerWaalsContact C-N 3.29Å; W478-R480 HydrophobicContact CZ2-CG 4.46Å; W478-R480 PolarHBondContact O-N 3.19Å; R480-E482 VanDerWaalsContact C-N 3.29Å; R480-E482 PolarHBondContact O-N 3.02Å |
| 481 | K | 81.2 | Confident | 85.2 | Confident | 195 Ų | 195 | 56.8 Ų | 56.8 | 85% | 0.848 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -61 | -38.6 | 178.5 | -71.9 | -174.6 | 176.2 | -177.9 | 0 | 112.7 | Y465 | Y465-K481 PolarHBondContact OH-O 3.44Š|
| 482 | E | 89.8 | Confident | 86.3 | Confident | 109 Ų | 109 | 57 Ų | 57 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -109.9 | 149.9 | -179 | -65.4 | -176.3 | 176.3 | 0 | 0 | 110.9 | W478 R480 K566 | W478-E482 PolarHBondContact NE1-O 2.84Å; R480-E482 VanDerWaalsContact C-N 3.29Å; R480-E482 PolarHBondContact O-N 3.02Å; E482-K566 IonicContact OE2-NZ 2.63Å; E482-K566 PolarHBondContact OE2-NZ 2.68Å |
| 483 | P | 91.9 | Very high | 87.5 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | trans | -65.5 | 165.6 | 175.4 | 27.6 | -31.2 | 0 | 0 | 0 | 110.7 | Y465 H485 F564 | Y465-P483 HydrophobicContact CD1-CB 3.79Å; Y465-P483 HydrophobicContact CD2-CB 4.3Å; Y465-P483 HydrophobicContact CE1-CB 3.7Å; Y465-P483 HydrophobicContact CE1-CG 4.03Å; Y465-P483 HydrophobicContact CE2-CB 4.24Å; Y465-P483 VanDerWaalsContact CE2-N 3.31Å; Y465-P483 HydrophobicContact CG-CB 4.1Å; Y465-P483 VanDerWaalsContact CZ-CD 3.44Å; Y465-P483 WeakPolarHBondContact OH-CD 3.41Å; P483-H485 PolarHBondContact O-CE1 3.08Å; P483-H485 PolarHBondContact O-ND1 3.07Å; P483-F564 HydrophobicContact CB-CD1 4.22Å; P483-F564 HydrophobicContact CB-CE1 3.84Å; P483-F564 HydrophobicContact CG-CD1 4.23Å; P483-F564 HydrophobicContact CG-CE1 3.98Å | ||
| 484 | P | 93.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | trans | -59.3 | 143.2 | 168.5 | 29.6 | -37.7 | 0 | 0 | 0 | 110 | I366 I467 W478 N506 F507 | I366-P484 HydrophobicContact CD1-CG 3.85Å; I467-P484 HydrophobicContact CD1-CG 3.72Å; W478-P484 HydrophobicContact CD2-CB 4.34Å; W478-P484 HydrophobicContact CE3-CB 4.4Å; W478-P484 HydrophobicContact CH2-CB 4.12Å; W478-P484 HydrophobicContact CZ2-CB 4.04Å; W478-P484 HydrophobicContact CZ3-CB 4.3Å; P484-N506 HydrophobicContact CB-CB 3.97Å; P484-F507 HydrophobicContact CB-CE2 4.21Å; P484-F507 HydrophobicContact CB-CZ 4.27Å; P484-F507 HydrophobicContact CG-CZ 4.29Å; P484-F507 WeakPolarHBondContact O-CZ 3.4Å | ||
| 485 | H | 96 | Very high | 90.5 | Very high | 21 Ų | 21 | 63.1 Ų | 63.1 | 10% | 0.097 | 34% | 0.341 | C | S | . | . | trans | -134.2 | 146.8 | 175 | -66.2 | 83.8 | 0 | 0 | 0 | 110.1 | P483 H487 R563 F564 K566 | P483-H485 PolarHBondContact O-CE1 3.08Å; P483-H485 PolarHBondContact O-ND1 3.07Å; H485-H487 PolarHBondContact O-CD2 3.11Å; H485-R563 PolarHBondContact CD2-O 3.46Å; H485-R563 PolarHBondContact NE2-O 3.03Å; H485-F564 CarbonylContact C-O 3.53Å; H485-F564 VanDerWaalsContact CA-O 3.23Å; H485-F564 WeakPolarHBondContact CA-O 3.15Å; H485-K566 HydrophobicContact CB-CB 4.45Å; H485-K566 HydrophobicContact CB-CD 4.1Å; H485-K566 HydrophobicContact CB-CG 4.03Å | ||
| 486 | I | 97.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.9 | 159.3 | -58.7 | 173.5 | 0 | 0 | 0 | 106.6 | I501 L504 F507 I509 L554 I560 F564 I565 K566 | I486-I501 HydrophobicContact CG2-CG2 3.63Å; I486-L504 HydrophobicContact CD1-CD2 3.99Å; I486-L504 HydrophobicContact CG1-CD2 4.39Å; I486-L504 HydrophobicContact CG2-CD2 4.04Å; I486-F507 HydrophobicContact CD1-CD2 3.97Å; I486-F507 HydrophobicContact CD1-CE2 4.42Å; I486-F507 HydrophobicContact CD1-CG 4.21Å; I486-F507 HydrophobicContact CG1-CD2 3.47Å; I486-F507 VanDerWaalsContact CG1-CD2 3.47Å; I486-F507 HydrophobicContact CG1-CE2 3.64Å; I486-F507 HydrophobicContact CG1-CG 4.21Å; I486-F507 HydrophobicContact CG1-CZ 4.47Å; I486-I509 HydrophobicContact CD1-CD1 4.15Å; I486-L554 HydrophobicContact CD1-CD1 4.22Å; I486-L554 HydrophobicContact CD1-CD2 3.86Å; I486-L554 HydrophobicContact CG2-CD1 3.97Å; I486-I560 HydrophobicContact CD1-CG1 4.17Å; I486-I560 HydrophobicContact CD1-CG2 4.16Å; I486-F564 PolarHBondContact N-O 3.2Å; I486-I565 CarbonylContact O-C 3.52Å; I486-I565 WeakPolarHBondContact O-CA 3.33Å; I486-K566 PolarHBondContact O-N 2.7Å |
| 487 | H | 97.3 | Very high | 92.2 | Very high | 35 Ų | 35 | 71.9 Ų | 71.9 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 119.7 | 177.9 | -69.8 | -107.1 | 0 | 0 | 0 | 110.1 | H485 Y489 I501 A502 Y534 K566 | H485-H487 PolarHBondContact O-CD2 3.11Å; H487-Y489 HydrophobicContact CB-CD1 4.28Å; H487-Y489 HydrophobicContact CB-CE1 4.34Å; H487-I501 CarbonylContact O-C 3.57Å; H487-I501 VanDerWaalsContact O-CA 3.29Å; H487-I501 WeakPolarHBondContact O-CA 3.06Å; H487-A502 HydrophobicContact CB-CB 4.17Å; H487-A502 PolarHBondContact N-O 3.43Å; H487-A502 VanDerWaalsContact N-O 3.09Å; H487-A502 PolarHBondContact O-N 2.74Å; H487-Y534 HydrophobicContact CB-CE1 4.34Å; H487-Y534 VanDerWaalsContact CB-OH 3.27Å; H487-Y534 WeakPolarHBondContact CB-OH 3.48Å; H487-Y534 PolarHBondContact CE1-OH 2.99Å; H487-Y534 AromaticContact CG-CE1 4Å; H487-Y534 AromaticContact CG-CZ 3.83Å; H487-Y534 AromaticContact ND1-CZ 3.89Å; H487-Y534 PolarHBondContact ND1-OH 2.79Å; H487-K566 VanDerWaalsContact CE1-CD 3.4Å; H487-K566 WeakPolarHBondContact CE1-CD 3.46Å |
| 488 | L | 97.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 69.1 Ų | 69.1 | 3% | 0.031 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.8 | 179.4 | -173.8 | 66.6 | 0 | 0 | 0 | 109.1 | T499 R500 I501 L547 I550 S551 I565 K566 G567 | L488-T499 HydrophobicContact CD1-CG2 3.73Å; L488-R500 WeakPolarHBondContact CA-O 3.38Å; L488-I501 HydrophobicContact CD1-CG1 3.62Å; L488-L547 HydrophobicContact CD1-CD2 4.21Å; L488-L547 HydrophobicContact CD2-CB 4.39Å; L488-L547 HydrophobicContact CD2-CD2 3.99Å; L488-L547 WeakPolarHBondContact CD2-O 3.46Å; L488-L547 HydrophobicContact CG-CD2 3.57Å; L488-I550 HydrophobicContact CD1-CB 4.11Å; L488-I550 HydrophobicContact CD1-CD1 4.36Å; L488-I550 HydrophobicContact CD1-CG2 3.69Å; L488-I550 HydrophobicContact CD2-CB 4.34Å; L488-I550 HydrophobicContact CD2-CG2 4.3Å; L488-S551 WeakPolarHBondContact CD2-OG 3.12Å; L488-I565 HydrophobicContact CB-CG2 4.41Å; L488-K566 PolarHBondContact N-O 3.19Å; L488-G567 WeakPolarHBondContact O-CA 3.31Å |
| 489 | Y | 97.3 | Very high | 93.4 | Very high | 33 Ų | 33 | 67.5 Ų | 67.5 | 13% | 0.129 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 162.7 | -173.7 | 57.4 | -79.8 | 0 | 0 | 0 | 112.4 | H487 V491 R500 A502 D531 Y534 | H487-Y489 HydrophobicContact CB-CD1 4.28Å; H487-Y489 HydrophobicContact CB-CE1 4.34Å; Y489-V491 HydrophobicContact CD2-CG1 3.89Å; Y489-V491 HydrophobicContact CE2-CG1 3.82Å; Y489-R500 HydrophobicContact CD1-CB 4.41Å; Y489-R500 HydrophobicContact CD2-CB 4.07Å; Y489-R500 HydrophobicContact CE1-CB 3.94Å; Y489-R500 HydrophobicContact CE2-CB 3.56Å; Y489-R500 HydrophobicContact CE2-CG 4.26Å; Y489-R500 HydrophobicContact CG-CB 4.46Å; Y489-R500 VanDerWaalsContact CZ-CB 3.47Å; Y489-R500 PolarHBondContact N-O 3.14Å; Y489-R500 PolarHBondContact O-N 2.76Å; Y489-A502 HydrophobicContact CE1-CB 4.28Å; Y489-D531 WeakPolarHBondContact CE2-OD2 3.41Å; Y489-D531 PolarHBondContact OH-OD2 2.9Å; Y489-Y534 HydrophobicContact CD1-CE2 4.38Å; Y489-Y534 HydrophobicContact CE1-CD2 4.2Å; Y489-Y534 AromaticContact CE1-CE2 3.51Å; Y489-Y534 HydrophobicContact CE1-CE2 3.51Å; Y489-Y534 HydrophobicContact CE2-CE2 4.48Å; Y489-Y534 AromaticContact CZ-CD2 3.94Å; Y489-Y534 AromaticContact CZ-CE2 3.57Å; Y489-Y534 VanDerWaalsContact OH-CD2 3.31Å; Y489-Y534 WeakPolarHBondContact OH-CD2 3.15Å; Y489-Y534 WeakPolarHBondContact OH-CE2 3.33Å |
| 490 | I | 97 | Very high | 93.8 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 136.9 | 177.7 | -60.5 | 169.3 | 0 | 0 | 0 | 109.1 | K497 L498 V545 L547 | I490-K497 HydrophobicContact CG2-CB 4.04Å; I490-K497 HydrophobicContact CG2-CD 4.37Å; I490-K497 HydrophobicContact CG2-CG 4.22Å; I490-L498 WeakPolarHBondContact CA-O 3.32Å; I490-V545 HydrophobicContact CD1-CB 4.43Å; I490-V545 HydrophobicContact CD1-CG1 3.52Å; I490-V545 HydrophobicContact CD1-CG2 4.09Å; I490-V545 HydrophobicContact CG1-CG1 4.31Å; I490-V545 HydrophobicContact CG2-CG2 4.47Å; I490-L547 HydrophobicContact CD1-CD1 3.61Å; I490-L547 HydrophobicContact CD1-CG 4Å; I490-L547 HydrophobicContact CG1-CD1 3.87Å; I490-L547 HydrophobicContact CG1-CD2 4.02Å; I490-L547 HydrophobicContact CG1-CG 3.93Å |
| 491 | V | 96 | Very high | 94.4 | Very high | 29 Ų | 29 | 57.8 Ų | 57.8 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 150.7 | 165.9 | -63.2 | 0 | 0 | 0 | 0 | 110.2 | Y489 K497 L498 R500 | Y489-V491 HydrophobicContact CD2-CG1 3.89Å; Y489-V491 HydrophobicContact CE2-CG1 3.82Å; V491-K497 WeakPolarHBondContact O-CA 3.42Å; V491-L498 HydrophobicContact CG2-CB 4.04Å; V491-L498 PolarHBondContact N-O 2.76Å; V491-L498 PolarHBondContact O-N 2.96Å; V491-R500 HydrophobicContact CG2-CG 4.02Å |
| 492 | T | 95.5 | Very high | 95.2 | Very high | 93 Ų | 93 | 48.5 Ų | 48.5 | 57% | 0.571 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.3 | 172.2 | -55.7 | 0 | 0 | 0 | 0 | 108.8 | K496 | T492-K496 CarbonylContact C-O 3.59Å; T492-K496 WeakPolarHBondContact CA-O 3.42Å |
| 493 | K | 91 | Very high | 95.4 | Very high | 124 Ų | 124 | 44.3 Ų | 44.3 | 54% | 0.539 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 122.6 | 178.7 | -150.6 | 178.6 | -175.8 | -179.8 | 0 | 108.8 | G495 K496 L498 | K493-G495 VanDerWaalsContact C-N 3.27Å; K493-G495 PolarHBondContact O-N 2.66Å; K493-K496 PolarHBondContact N-O 3.06Å; K493-K496 PolarHBondContact O-N 3.26Å; K493-L498 HydrophobicContact CB-CD1 3.76Å |
| 494 | A | 90 | Very high | 95.5 | Very high | 105 Ų | 105 | 43.3 Ų | 43.3 | 87% | 0.868 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 46.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | K496 | A494-K496 PolarHBondContact O-N 3.38Å; A494-K496 VanDerWaalsContact O-N 3.11Å |
| 495 | G | 90.8 | Very high | 95.4 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 73% | 0.732 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -9.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | K493 | K493-G495 VanDerWaalsContact C-N 3.27Å; K493-G495 PolarHBondContact O-N 2.66Å |
| 496 | K | 94.2 | Very high | 95.1 | Very high | 143 Ų | 143 | 45.8 Ų | 45.8 | 62% | 0.622 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 134.1 | 177.8 | -64 | -176.6 | -179.8 | -178.8 | 0 | 110.9 | T492 K493 A494 | T492-K496 CarbonylContact C-O 3.59Å; T492-K496 WeakPolarHBondContact CA-O 3.42Å; K493-K496 PolarHBondContact N-O 3.06Å; K493-K496 PolarHBondContact O-N 3.26Å; A494-K496 PolarHBondContact O-N 3.38Å; A494-K496 VanDerWaalsContact O-N 3.11Å |
| 497 | K | 96.6 | Very high | 94.9 | Very high | 125 Ų | 125 | 45.9 Ų | 45.9 | 54% | 0.543 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 135.5 | 171.9 | -69.9 | -177.1 | 179 | -179.3 | 0 | 110.4 | I490 V491 G544 V545 | I490-K497 HydrophobicContact CG2-CB 4.04Å; I490-K497 HydrophobicContact CG2-CD 4.37Å; I490-K497 HydrophobicContact CG2-CG 4.22Å; V491-K497 WeakPolarHBondContact O-CA 3.42Å; K497-G544 WeakPolarHBondContact O-CA 3.39Å; K497-G544 PolarHBondContact O-N 3.03Å; K497-V545 HydrophobicContact CB-CG2 3.54Å; K497-V545 HydrophobicContact CD-CG2 3.84Å; K497-V545 HydrophobicContact CG-CG2 4.33Å |
| 498 | L | 97 | Very high | 94.5 | Very high | 13 Ų | 13 | 47.2 Ų | 47.2 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.1 | -177.1 | -53.9 | 166.4 | 0 | 0 | 0 | 108.4 | I490 V491 K493 Q541 Q543 G544 | I490-L498 WeakPolarHBondContact CA-O 3.32Å; V491-L498 HydrophobicContact CG2-CB 4.04Å; V491-L498 PolarHBondContact N-O 2.76Å; V491-L498 PolarHBondContact O-N 2.96Å; K493-L498 HydrophobicContact CB-CD1 3.76Å; L498-Q541 HydrophobicContact CB-CG 4.09Å; L498-Q541 HydrophobicContact CD1-CG 4.5Å; L498-Q543 HydrophobicContact CD2-CB 4.34Å; L498-Q543 HydrophobicContact CD2-CG 4.06Å; L498-G544 CarbonylContact C-O 3.45Å |
| 499 | T | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.5 | 176.6 | -53 | 0 | 0 | 0 | 0 | 109.4 | L488 Q541 A542 G544 V545 H546 L547 I550 | L488-T499 HydrophobicContact CD1-CG2 3.73Å; T499-Q541 CarbonylContact O-C 3.53Å; T499-Q541 WeakPolarHBondContact O-CA 3.38Å; T499-A542 PolarHBondContact N-O 3.48Å; T499-A542 PolarHBondContact O-N 2.97Å; T499-G544 PolarHBondContact N-O 3.13Å; T499-G544 PolarHBondContact OG1-O 2.8Å; T499-V545 WeakPolarHBondContact OG1-CA 3.42Å; T499-H546 PolarHBondContact OG1-N 3.31Å; T499-L547 HydrophobicContact CG2-CD2 3.86Å; T499-I550 HydrophobicContact CG2-CD1 3.86Å |
| 500 | R | 97.6 | Very high | 94 | Very high | 19 Ų | 19 | 48.3 Ų | 48.3 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 144 | 178.3 | -75.5 | -178.1 | 171.8 | -177.3 | -15.5 | 111.1 | L488 Y489 V491 D530 D531 I539 I540 Q541 | L488-R500 WeakPolarHBondContact CA-O 3.38Å; Y489-R500 HydrophobicContact CD1-CB 4.41Å; Y489-R500 HydrophobicContact CD2-CB 4.07Å; Y489-R500 HydrophobicContact CE1-CB 3.94Å; Y489-R500 HydrophobicContact CE2-CB 3.56Å; Y489-R500 HydrophobicContact CE2-CG 4.26Å; Y489-R500 HydrophobicContact CG-CB 4.46Å; Y489-R500 VanDerWaalsContact CZ-CB 3.47Å; Y489-R500 PolarHBondContact N-O 3.14Å; Y489-R500 PolarHBondContact O-N 2.76Å; V491-R500 HydrophobicContact CG2-CG 4.02Å; R500-D530 PolarHBondContact NH2-O 3.24Å; R500-D531 WeakPolarHBondContact CD-OD2 3.4Å; R500-D531 IonicContact CZ-OD2 2.82Å; R500-D531 IonicContact NE-OD2 2.61Å; R500-D531 IonicContact NH1-OD1 3.7Å; R500-D531 IonicContact NH1-OD2 3.48Å; R500-D531 PolarHBondContact NH1-OD2 3.12Å; R500-I539 HydrophobicContact CB-CG2 3.96Å; R500-I539 HydrophobicContact CG-CG2 4.12Å; R500-I540 CarbonylContact C-O 3.38Å; R500-I540 VanDerWaalsContact CA-O 3.3Å; R500-I540 WeakPolarHBondContact CA-O 3.5Å; R500-Q541 HydrophobicContact CG-CB 4.21Å; R500-Q541 HydrophobicContact CG-CG 4.11Å; R500-Q541 VanDerWaalsContact NH2-OE1 3.16Å |
| 501 | I | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 121.9 | -179.4 | -48.2 | 88.7 | 0 | 0 | 0 | 107.7 | I486 H487 L488 L504 F514 L518 I539 I540 I550 | I486-I501 HydrophobicContact CG2-CG2 3.63Å; H487-I501 CarbonylContact O-C 3.57Å; H487-I501 VanDerWaalsContact O-CA 3.29Å; H487-I501 WeakPolarHBondContact O-CA 3.06Å; L488-I501 HydrophobicContact CD1-CG1 3.62Å; I501-L504 HydrophobicContact CG2-CD1 4.04Å; I501-L504 HydrophobicContact CG2-CD2 3.88Å; I501-L504 HydrophobicContact CG2-CG 3.84Å; I501-F514 HydrophobicContact CG1-CE1 4.43Å; I501-F514 HydrophobicContact CG2-CE1 4.49Å; I501-L518 HydrophobicContact CD1-CD1 3.96Å; I501-I539 WeakPolarHBondContact O-CA 3.08Å; I501-I540 HydrophobicContact CB-CB 4.42Å; I501-I540 HydrophobicContact CD1-CB 4.27Å; I501-I540 HydrophobicContact CD1-CG2 4.15Å; I501-I540 WeakPolarHBondContact CD1-O 3.36Å; I501-I540 PolarHBondContact N-O 3.39Å; I501-I540 PolarHBondContact O-N 2.92Å; I501-I550 HydrophobicContact CD1-CD1 3.91Å; I501-I550 HydrophobicContact CG1-CD1 4.33Å; I501-I550 HydrophobicContact CG1-CG2 4.16Å |
| 502 | A | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 156.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | H487 Y489 L504 Y534 I539 | H487-A502 HydrophobicContact CB-CB 4.17Å; H487-A502 PolarHBondContact N-O 3.43Å; H487-A502 VanDerWaalsContact N-O 3.09Å; H487-A502 PolarHBondContact O-N 2.74Å; Y489-A502 HydrophobicContact CE1-CB 4.28Å; A502-L504 VanDerWaalsContact C-N 3.32Å; A502-L504 PolarHBondContact O-N 3.45Å; A502-Y534 HydrophobicContact CB-CD1 4.04Å; A502-Y534 HydrophobicContact CB-CD2 4.04Å; A502-Y534 HydrophobicContact CB-CE1 4.15Å; A502-Y534 HydrophobicContact CB-CE2 4.16Å; A502-Y534 HydrophobicContact CB-CG 3.99Å; A502-I539 HydrophobicContact CB-CD1 3.31Å |
| 503 | E | 94.2 | Very high | 93.6 | Very high | 20 Ų | 20 | 44 Ų | 44 | 9% | 0.093 | 25% | 0.245 | C | C | . | . | trans | 62.9 | 28.2 | 172.5 | -57 | -141.2 | 139 | 0 | 0 | 115.7 | E505 N506 K537 | E503-E505 PolarHBondContact O-N 3.13Å; E503-N506 PolarHBondContact O-N 3.05Å; E503-N506 PolarHBondContact OE2-ND2 2.56Å; E503-K537 VanDerWaalsContact OE1-CE 3.27Å; E503-K537 WeakPolarHBondContact OE1-CE 3.27Å; E503-K537 IonicContact OE1-NZ 2.93Å; E503-K537 PolarHBondContact OE1-NZ 2.95Å | ||
| 504 | L | 94.5 | Very high | 93.8 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -55.3 | -34.2 | 171.2 | -74.1 | 171.8 | 0 | 0 | 0 | 112.9 | I486 I501 A502 N506 F507 I509 F514 I540 L554 | I486-L504 HydrophobicContact CD1-CD2 3.99Å; I486-L504 HydrophobicContact CG1-CD2 4.39Å; I486-L504 HydrophobicContact CG2-CD2 4.04Å; I501-L504 HydrophobicContact CG2-CD1 4.04Å; I501-L504 HydrophobicContact CG2-CD2 3.88Å; I501-L504 HydrophobicContact CG2-CG 3.84Å; A502-L504 VanDerWaalsContact C-N 3.32Å; A502-L504 PolarHBondContact O-N 3.45Å; L504-N506 PolarHBondContact O-N 3.23Å; L504-F507 PolarHBondContact O-N 2.66Å; L504-I509 HydrophobicContact CB-CB 4.15Å; L504-I509 HydrophobicContact CB-CG2 4.38Å; L504-I509 HydrophobicContact CD2-CB 4.27Å; L504-I509 HydrophobicContact CD2-CD1 4.14Å; L504-I509 HydrophobicContact CD2-CG2 4.11Å; L504-I509 PolarHBondContact O-N 3.35Å; L504-F514 HydrophobicContact CD1-CB 4.11Å; L504-F514 HydrophobicContact CD1-CD1 3.49Å; L504-F514 VanDerWaalsContact CD1-CD1 3.49Å; L504-F514 HydrophobicContact CD1-CE1 4.06Å; L504-F514 HydrophobicContact CD1-CG 3.86Å; L504-F514 HydrophobicContact CD2-CD1 4.46Å; L504-F514 HydrophobicContact CD2-CE1 4.41Å; L504-I540 HydrophobicContact CD1-CG1 4.07Å; L504-L554 HydrophobicContact CD2-CD2 4.16Å |
| 505 | E | 91.1 | Very high | 94 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 23% | 0.234 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -63.8 | -28 | -177.8 | -61.1 | 179.3 | 113 | 0 | 0 | 112.9 | N186 E503 F507 H508 P511 I538 | N186-E505 PolarHBondContact ND2-OE1 2.7Å; E503-E505 PolarHBondContact O-N 3.13Å; E505-F507 PolarHBondContact O-N 3.3Å; E505-H508 PolarHBondContact O-N 2.92Å; E505-P511 HydrophobicContact CG-CG 3.76Å; E505-I538 WeakPolarHBondContact OE1-CD1 3.05Å |
| 506 | N | 91 | Very high | 94.2 | Very high | 24 Ų | 24 | 36.9 Ų | 36.9 | 13% | 0.128 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -65.1 | -9.5 | 174.1 | -66.3 | -16 | 0 | 0 | 0 | 112.8 | Y469 W478 P484 E503 L504 | Y469-N506 PolarHBondContact OH-O 2.95Å; W478-N506 WeakPolarHBondContact CH2-ND2 3.48Å; P484-N506 HydrophobicContact CB-CB 3.97Å; E503-N506 PolarHBondContact O-N 3.05Å; E503-N506 PolarHBondContact OE2-ND2 2.56Å; L504-N506 PolarHBondContact O-N 3.23Å |
| 507 | F | 92.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -116.6 | 13.8 | 176.5 | -66.6 | -94 | 0 | 0 | 0 | 111.6 | Y360 P364 I366 P484 I486 L504 E505 I509 I560 F564 | Y360-F507 VanDerWaalsContact CE2-O 3.31Å; Y360-F507 WeakPolarHBondContact CE2-O 3.38Å; P364-F507 HydrophobicContact CG-CD1 3.73Å; P364-F507 HydrophobicContact CG-CE1 4.33Å; I366-F507 HydrophobicContact CD1-CE1 3.87Å; I366-F507 HydrophobicContact CD1-CZ 4.32Å; P484-F507 HydrophobicContact CB-CE2 4.21Å; P484-F507 HydrophobicContact CB-CZ 4.27Å; P484-F507 HydrophobicContact CG-CZ 4.29Å; P484-F507 WeakPolarHBondContact O-CZ 3.4Å; I486-F507 HydrophobicContact CD1-CD2 3.97Å; I486-F507 HydrophobicContact CD1-CE2 4.42Å; I486-F507 HydrophobicContact CD1-CG 4.21Å; I486-F507 HydrophobicContact CG1-CD2 3.47Å; I486-F507 VanDerWaalsContact CG1-CD2 3.47Å; I486-F507 HydrophobicContact CG1-CE2 3.64Å; I486-F507 HydrophobicContact CG1-CG 4.21Å; I486-F507 HydrophobicContact CG1-CZ 4.47Å; L504-F507 PolarHBondContact O-N 2.66Å; E505-F507 PolarHBondContact O-N 3.3Å; F507-I509 HydrophobicContact CB-CD1 4.23Å; F507-I509 HydrophobicContact CB-CG1 4.22Å; F507-I509 PolarHBondContact O-N 3.06Å; F507-I560 HydrophobicContact CB-CD1 4.21Å; F507-I560 HydrophobicContact CD1-CD1 3.79Å; F507-I560 HydrophobicContact CD1-CG2 4.43Å; F507-I560 HydrophobicContact CE1-CG2 4.32Å; F507-I560 HydrophobicContact CG-CD1 4.25Å; F507-F564 HydrophobicContact CE1-CB 3.94Å; F507-F564 HydrophobicContact CE1-CG 4.29Å; F507-F564 HydrophobicContact CZ-CB 3.78Å; F507-F564 HydrophobicContact CZ-CG 4.33Å |
| 508 | H | 88.7 | Confident | 94 | Very high | 63 Ų | 63 | 26.4 Ų | 26.4 | 29% | 0.292 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 27.1 | -173.7 | -76.2 | -162.3 | 0 | 0 | 0 | 113.6 | Y469 D471 E505 | Y469-H508 HydrophobicContact CD1-CB 4.04Å; Y469-H508 AromaticContact CD1-CD2 3.79Å; Y469-H508 AromaticContact CD1-CE1 3.88Å; Y469-H508 AromaticContact CD1-CG 3.53Å; Y469-H508 AromaticContact CD1-ND1 3.6Å; Y469-H508 AromaticContact CD2-CE1 3.92Å; Y469-H508 HydrophobicContact CE1-CB 4.13Å; Y469-H508 AromaticContact CE1-CD2 3.44Å; Y469-H508 VanDerWaalsContact CE1-CD2 3.44Å; Y469-H508 WeakPolarHBondContact CE1-CD2 3.5Å; Y469-H508 AromaticContact CE1-CG 3.62Å; Y469-H508 AromaticContact CE1-NE2 3.85Å; Y469-H508 AromaticContact CE2-NE2 3.84Å; Y469-H508 AromaticContact CG-CE1 3.75Å; Y469-H508 AromaticContact CG-ND1 3.79Å; Y469-H508 AromaticContact CZ-CD2 3.69Å; Y469-H508 AromaticContact CZ-NE2 3.74Å; D471-H508 IonicContact OD1-CE1 2.65Å; D471-H508 IonicContact OD1-ND1 3.72Å; D471-H508 IonicContact OD2-ND1 2.92Å; E505-H508 PolarHBondContact O-N 2.92Å |
| 509 | I | 92.3 | Very high | 94 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | trans | -88.4 | 117.3 | 171.8 | -60.5 | 173.8 | 0 | 0 | 0 | 108.2 | Y360 I486 L504 F507 P511 F514 L554 Y558 I560 | Y360-I509 HydrophobicContact CD2-CG1 4.02Å; Y360-I509 HydrophobicContact CE2-CG1 3.67Å; I486-I509 HydrophobicContact CD1-CD1 4.15Å; L504-I509 HydrophobicContact CB-CB 4.15Å; L504-I509 HydrophobicContact CB-CG2 4.38Å; L504-I509 HydrophobicContact CD2-CB 4.27Å; L504-I509 HydrophobicContact CD2-CD1 4.14Å; L504-I509 HydrophobicContact CD2-CG2 4.11Å; L504-I509 PolarHBondContact O-N 3.35Å; F507-I509 HydrophobicContact CB-CD1 4.23Å; F507-I509 HydrophobicContact CB-CG1 4.22Å; F507-I509 PolarHBondContact O-N 3.06Å; I509-P511 VanDerWaalsContact O-CD 3.28Å; I509-P511 WeakPolarHBondContact O-CD 3.49Å; I509-F514 HydrophobicContact CG2-CB 3.97Å; I509-F514 HydrophobicContact CG2-CD2 3.84Å; I509-F514 HydrophobicContact CG2-CG 4.13Å; I509-L554 HydrophobicContact CD1-CD2 4.13Å; I509-Y558 HydrophobicContact CD1-CD1 3.69Å; I509-Y558 HydrophobicContact CD1-CE1 4.32Å; I509-Y558 HydrophobicContact CD1-CG 4.03Å; I509-Y558 HydrophobicContact CG1-CD1 3.79Å; I509-Y558 HydrophobicContact CG1-CE1 4.15Å; I509-Y558 HydrophobicContact CG2-CD1 4.32Å; I509-Y558 HydrophobicContact CG2-CE1 3.87Å; I509-I560 HydrophobicContact CD1-CD1 4.26Å; I509-I560 HydrophobicContact CD1-CG1 4.2Å | ||
| 510 | N | 91.4 | Very high | 93.7 | Very high | 60 Ų | 60 | 37.1 Ų | 37.1 | 32% | 0.321 | 18% | 0.181 | S | C | . | . | trans | -65.1 | 118.6 | 176.8 | -178.6 | -34.4 | 0 | 0 | 0 | 110.8 | D359 D512 S513 F514 | D359-N510 WeakPolarHBondContact OD2-CB 3.2Å; D359-N510 VanDerWaalsContact OD2-CG 3.3Å; D359-N510 PolarHBondContact OD2-ND2 2.65Å; N510-D512 VanDerWaalsContact C-N 3.32Å; N510-D512 PolarHBondContact O-N 3.05Å; N510-D512 PolarHBondContact OD1-N 3.15Å; N510-S513 PolarHBondContact O-N 3.32Å; N510-S513 PolarHBondContact OD1-N 3.12Å; N510-F514 WeakPolarHBondContact O-CB 3.38Å; N510-F514 PolarHBondContact O-N 2.86Å | ||
| 511 | P | 93.7 | Very high | 93.4 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -34 | -176.7 | -25.1 | 35.2 | 0 | 0 | 0 | 114.4 | E505 I509 S515 I538 I540 | E505-P511 HydrophobicContact CG-CG 3.76Å; I509-P511 VanDerWaalsContact O-CD 3.28Å; I509-P511 WeakPolarHBondContact O-CD 3.49Å; P511-S515 VanDerWaalsContact O-CB 3.25Å; P511-S515 WeakPolarHBondContact O-CB 3.48Å; P511-S515 PolarHBondContact O-N 3.41Å; P511-I538 HydrophobicContact CB-CG2 3.71Å; P511-I538 HydrophobicContact CG-CB 4.35Å; P511-I538 HydrophobicContact CG-CD1 4.38Å; P511-I538 HydrophobicContact CG-CG2 3.92Å; P511-I540 HydrophobicContact CB-CD1 3.75Å; P511-I540 HydrophobicContact CB-CG1 3.93Å; P511-I540 VanDerWaalsContact O-CD1 3.32Å; P511-I540 WeakPolarHBondContact O-CD1 3.5Å |
| 512 | D | 93.1 | Very high | 93.3 | Very high | 62 Ų | 62 | 42 Ų | 42 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -74.7 | -42 | -179.9 | -65.8 | -38.3 | 0 | 0 | 0 | 112 | N510 F514 S515 K516 R528 | N510-D512 VanDerWaalsContact C-N 3.32Å; N510-D512 PolarHBondContact O-N 3.05Å; N510-D512 PolarHBondContact OD1-N 3.15Å; D512-F514 VanDerWaalsContact C-N 3.33Å; D512-S515 PolarHBondContact O-N 3.42Å; D512-K516 WeakPolarHBondContact O-CG 3.26Å; D512-K516 PolarHBondContact O-N 2.98Å; D512-R528 IonicContact OD1-CZ 3.72Å; D512-R528 IonicContact OD1-NE 3.35Å; D512-R528 PolarHBondContact OD1-NE 3.25Å; D512-R528 IonicContact OD1-NH2 2.71Å; D512-R528 PolarHBondContact OD1-NH2 3.25Å; D512-R528 IonicContact OD2-CZ 3.74Å; D512-R528 IonicContact OD2-NE 3.47Å; D512-R528 IonicContact OD2-NH2 3.67Å; D512-R528 PolarHBondContact OD2-NH2 3.47Å |
| 513 | S | 93.1 | Very high | 93.1 | Very high | 29 Ų | 29 | 46.8 Ų | 46.8 | 20% | 0.203 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.5 | -49 | 174.2 | -165.3 | 0 | 0 | 0 | 0 | 109.6 | D359 N510 S515 K516 Q517 | D359-S513 VanDerWaalsContact OD1-CB 3.23Å; D359-S513 WeakPolarHBondContact OD1-CB 3.47Å; D359-S513 PolarHBondContact OD1-OG 3.48Å; N510-S513 PolarHBondContact O-N 3.32Å; N510-S513 PolarHBondContact OD1-N 3.12Å; S513-S515 PolarHBondContact O-N 3.45Å; S513-K516 WeakPolarHBondContact O-CB 3.47Å; S513-K516 PolarHBondContact O-N 3.3Å; S513-Q517 PolarHBondContact O-N 2.82Å |
| 514 | F | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.7 | -44 | 176.4 | -167 | -101.8 | 0 | 0 | 0 | 112.5 | I501 L504 I509 N510 D512 K516 Q517 L518 I550 L553 L554 Y558 | I501-F514 HydrophobicContact CG1-CE1 4.43Å; I501-F514 HydrophobicContact CG2-CE1 4.49Å; L504-F514 HydrophobicContact CD1-CB 4.11Å; L504-F514 HydrophobicContact CD1-CD1 3.49Å; L504-F514 VanDerWaalsContact CD1-CD1 3.49Å; L504-F514 HydrophobicContact CD1-CE1 4.06Å; L504-F514 HydrophobicContact CD1-CG 3.86Å; L504-F514 HydrophobicContact CD2-CD1 4.46Å; L504-F514 HydrophobicContact CD2-CE1 4.41Å; I509-F514 HydrophobicContact CG2-CB 3.97Å; I509-F514 HydrophobicContact CG2-CD2 3.84Å; I509-F514 HydrophobicContact CG2-CG 4.13Å; N510-F514 WeakPolarHBondContact O-CB 3.38Å; N510-F514 PolarHBondContact O-N 2.86Å; D512-F514 VanDerWaalsContact C-N 3.33Å; F514-K516 PolarHBondContact O-N 2.9Å; F514-Q517 WeakPolarHBondContact O-CB 3.43Å; F514-Q517 PolarHBondContact O-N 3.26Å; F514-Q517 VanDerWaalsContact O-N 3.16Å; F514-L518 HydrophobicContact CD1-CD1 3.92Å; F514-L518 HydrophobicContact CD1-CG 4.08Å; F514-L518 HydrophobicContact CE1-CD1 3.73Å; F514-L518 HydrophobicContact CE1-CD2 4.05Å; F514-L518 HydrophobicContact CE1-CG 3.92Å; F514-L518 HydrophobicContact CZ-CD2 4.25Å; F514-L518 WeakPolarHBondContact O-CG 3.39Å; F514-L518 PolarHBondContact O-N 2.79Å; F514-I550 HydrophobicContact CE1-CG2 4.5Å; F514-I550 HydrophobicContact CZ-CG2 4.22Å; F514-L553 HydrophobicContact CE2-CD2 3.89Å; F514-L553 HydrophobicContact CE2-CG 4.37Å; F514-L553 HydrophobicContact CZ-CD2 4Å; F514-L554 HydrophobicContact CE2-CD2 3.66Å; F514-L554 HydrophobicContact CE2-CG 4.41Å; F514-L554 HydrophobicContact CZ-CD2 3.7Å; F514-L554 HydrophobicContact CZ-CG 4.12Å; F514-Y558 HydrophobicContact CD2-CE1 4.45Å; F514-Y558 AromaticContact CD2-CE2 3.71Å; F514-Y558 HydrophobicContact CD2-CE2 3.71Å; F514-Y558 AromaticContact CD2-CZ 3.67Å; F514-Y558 HydrophobicContact CE2-CD2 4.14Å; F514-Y558 AromaticContact CE2-CE2 3.62Å; F514-Y558 HydrophobicContact CE2-CE2 3.62Å |
| 515 | S | 95.4 | Very high | 93 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 176.5 | 177.5 | 0 | 0 | 0 | 0 | 112.7 | P511 D512 S513 Q517 L518 K519 A526 G527 | P511-S515 VanDerWaalsContact O-CB 3.25Å; P511-S515 WeakPolarHBondContact O-CB 3.48Å; P511-S515 PolarHBondContact O-N 3.41Å; D512-S515 PolarHBondContact O-N 3.42Å; S513-S515 PolarHBondContact O-N 3.45Å; S515-Q517 VanDerWaalsContact C-N 3.3Å; S515-Q517 PolarHBondContact O-N 3.01Å; S515-L518 PolarHBondContact O-N 2.98Å; S515-K519 WeakPolarHBondContact O-CG 3.43Å; S515-K519 PolarHBondContact O-N 2.82Å; S515-K519 VanDerWaalsContact O-N 3.1Å; S515-A526 VanDerWaalsContact OG-C 3.26Å; S515-A526 PolarHBondContact OG-O 3.46Å; S515-G527 WeakPolarHBondContact OG-CA 3.37Å; S515-G527 PolarHBondContact OG-N 3.33Å |
| 516 | K | 93.8 | Very high | 93.3 | Very high | 141 Ų | 141 | 48 Ų | 48 | 61% | 0.613 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.3 | -41.9 | 174.3 | -71 | 171.5 | -175.9 | 175.4 | 0 | 111.1 | D512 S513 F514 K519 I520 | D512-K516 WeakPolarHBondContact O-CG 3.26Å; D512-K516 PolarHBondContact O-N 2.98Å; S513-K516 WeakPolarHBondContact O-CB 3.47Å; S513-K516 PolarHBondContact O-N 3.3Å; F514-K516 PolarHBondContact O-N 2.9Å; K516-K519 WeakPolarHBondContact O-CB 3.39Å; K516-K519 PolarHBondContact O-N 3.38Å; K516-I520 WeakPolarHBondContact O-CG1 3.21Å; K516-I520 PolarHBondContact O-N 2.96Å |
| 517 | Q | 92.7 | Very high | 93.5 | Very high | 48 Ų | 48 | 48 Ų | 48 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -37 | 178.7 | -161.7 | 147.6 | -4.8 | 0 | 0 | 112.4 | S513 F514 S515 K519 I520 N521 Y558 | S513-Q517 PolarHBondContact O-N 2.82Å; F514-Q517 WeakPolarHBondContact O-CB 3.43Å; F514-Q517 PolarHBondContact O-N 3.26Å; F514-Q517 VanDerWaalsContact O-N 3.16Å; S515-Q517 VanDerWaalsContact C-N 3.3Å; S515-Q517 PolarHBondContact O-N 3.01Å; Q517-K519 PolarHBondContact O-N 3.14Å; Q517-I520 PolarHBondContact O-N 2.68Å; Q517-N521 WeakPolarHBondContact O-CB 3.36Å; Q517-N521 PolarHBondContact O-N 3.19Å; Q517-Y558 PolarHBondContact OE1-OH 3.28Å |
| 518 | L | 95.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 171.5 | -69.9 | -178 | 0 | 0 | 0 | 112.3 | I501 F514 S515 I520 N521 L522 A526 I540 A542 I550 L553 | I501-L518 HydrophobicContact CD1-CD1 3.96Å; F514-L518 HydrophobicContact CD1-CD1 3.92Å; F514-L518 HydrophobicContact CD1-CG 4.08Å; F514-L518 HydrophobicContact CE1-CD1 3.73Å; F514-L518 HydrophobicContact CE1-CD2 4.05Å; F514-L518 HydrophobicContact CE1-CG 3.92Å; F514-L518 HydrophobicContact CZ-CD2 4.25Å; F514-L518 WeakPolarHBondContact O-CG 3.39Å; F514-L518 PolarHBondContact O-N 2.79Å; S515-L518 PolarHBondContact O-N 2.98Å; L518-I520 VanDerWaalsContact C-N 3.29Å; L518-I520 PolarHBondContact O-N 2.79Å; L518-N521 PolarHBondContact O-N 3.11Å; L518-L522 HydrophobicContact CB-CD1 4.39Å; L518-L522 HydrophobicContact CD2-CD1 3.89Å; L518-L522 VanDerWaalsContact O-CB 3.26Å; L518-L522 WeakPolarHBondContact O-CB 3.09Å; L518-L522 PolarHBondContact O-N 3.11Å; L518-A526 HydrophobicContact CB-CB 3.95Å; L518-A526 HydrophobicContact CD1-CB 4.43Å; L518-I540 HydrophobicContact CD1-CG2 3.83Å; L518-A542 HydrophobicContact CD1-CB 4.43Å; L518-I550 HydrophobicContact CD1-CD1 4.28Å; L518-I550 HydrophobicContact CD2-CD1 3.98Å; L518-I550 HydrophobicContact CD2-CG1 3.78Å; L518-L553 HydrophobicContact CD2-CD2 3.72Å |
| 519 | K | 95.3 | Very high | 93.9 | Very high | 102 Ų | 102 | 51.1 Ų | 51.1 | 44% | 0.443 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 177.4 | -68.1 | 178.3 | -175.8 | 179.8 | 0 | 111.9 | S515 K516 Q517 A523 C524 A526 | S515-K519 WeakPolarHBondContact O-CG 3.43Å; S515-K519 PolarHBondContact O-N 2.82Å; S515-K519 VanDerWaalsContact O-N 3.1Å; K516-K519 WeakPolarHBondContact O-CB 3.39Å; K516-K519 PolarHBondContact O-N 3.38Å; Q517-K519 PolarHBondContact O-N 3.14Å; K519-A523 VanDerWaalsContact O-CA 3.3Å; K519-A523 WeakPolarHBondContact O-CA 3.41Å; K519-A523 PolarHBondContact O-N 2.95Å; K519-A523 VanDerWaalsContact O-N 3.12Å; K519-C524 WeakPolarHBondContact CA-O 3.5Å; K519-C524 WeakPolarHBondContact CG-O 3.45Å; K519-A526 WeakPolarHBondContact CE-O 3.24Å; K519-A526 HydrophobicContact CG-CB 4Å; K519-A526 PolarHBondContact NZ-O 3.03Å |
| 520 | I | 92.3 | Very high | 93.9 | Very high | 136 Ų | 136 | 57.8 Ų | 57.8 | 70% | 0.697 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -69.6 | -51.8 | -179.3 | -62.8 | 166.5 | 0 | 0 | 0 | 109.9 | K516 Q517 L518 | K516-I520 WeakPolarHBondContact O-CG1 3.21Å; K516-I520 PolarHBondContact O-N 2.96Å; Q517-I520 PolarHBondContact O-N 2.68Å; L518-I520 VanDerWaalsContact C-N 3.29Å; L518-I520 PolarHBondContact O-N 2.79Å |
| 521 | N | 92 | Very high | 93.8 | Very high | 91 Ų | 91 | 56 Ų | 56 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.7 | -31.4 | -171.5 | -70.4 | 8.2 | 0 | 0 | 0 | 113.6 | Q517 L518 | Q517-N521 WeakPolarHBondContact O-CB 3.36Å; Q517-N521 PolarHBondContact O-N 3.19Å; L518-N521 PolarHBondContact O-N 3.11Å |
| 522 | L | 94.1 | Very high | 93.6 | Very high | 31 Ų | 31 | 64.8 Ų | 64.8 | 16% | 0.162 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -104 | -4.2 | -176.6 | -56.7 | 177.5 | 0 | 0 | 0 | 113.2 | L518 C524 H546 A549 I550 | L518-L522 HydrophobicContact CB-CD1 4.39Å; L518-L522 HydrophobicContact CD2-CD1 3.89Å; L518-L522 VanDerWaalsContact O-CB 3.26Å; L518-L522 WeakPolarHBondContact O-CB 3.09Å; L518-L522 PolarHBondContact O-N 3.11Å; L522-C524 HydrophobicContact CB-CB 4.34Å; L522-C524 PolarHBondContact O-N 2.84Å; L522-C524 VanDerWaalsContact O-N 3.16Å; L522-H546 HydrophobicContact CD1-CB 3.76Å; L522-H546 HydrophobicContact CD2-CB 4.37Å; L522-A549 HydrophobicContact CD2-CB 3.55Å; L522-I550 HydrophobicContact CD1-CD1 4.13Å; L522-I550 HydrophobicContact CD1-CG1 4.01Å |
| 523 | A | 92.5 | Very high | 93.4 | Very high | 99 Ų | 99 | 67.7 Ų | 67.7 | 82% | 0.818 | 36% | 0.362 | S | S | * | . | S | Bend | trans | 48.7 | 38.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K519 | K519-A523 VanDerWaalsContact O-CA 3.3Å; K519-A523 WeakPolarHBondContact O-CA 3.41Å; K519-A523 PolarHBondContact O-N 2.95Å; K519-A523 VanDerWaalsContact O-N 3.12Å |
| 524 | C | 93.4 | Very high | 93.3 | Very high | 22 Ų | 22 | 67.7 Ų | 67.7 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -130.1 | 161.5 | -175.8 | 81.3 | 0 | 0 | 0 | 0 | 111.7 | K519 L522 A526 | K519-C524 WeakPolarHBondContact CA-O 3.5Å; K519-C524 WeakPolarHBondContact CG-O 3.45Å; L522-C524 HydrophobicContact CB-CB 4.34Å; L522-C524 PolarHBondContact O-N 2.84Å; L522-C524 VanDerWaalsContact O-N 3.16Å; C524-A526 PolarHBondContact O-N 3.3Å |
| 525 | S | 94.7 | Very high | 92.8 | Very high | 75 Ų | 75 | 72.7 Ų | 72.7 | 52% | 0.524 | 39% | 0.39 | S | S | . | . | trans | -73.3 | 126.8 | 171.6 | -176 | 0 | 0 | 0 | 0 | 110.2 | Q543 | S525-Q543 PolarHBondContact O-N 3.17Š| ||
| 526 | A | 96.7 | Very high | 92.1 | Very high | 5 Ų | 5 | 76.7 Ų | 76.7 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S515 L518 K519 C524 Q541 A542 | S515-A526 VanDerWaalsContact OG-C 3.26Å; S515-A526 PolarHBondContact OG-O 3.46Å; L518-A526 HydrophobicContact CB-CB 3.95Å; L518-A526 HydrophobicContact CD1-CB 4.43Å; K519-A526 WeakPolarHBondContact CE-O 3.24Å; K519-A526 HydrophobicContact CG-CB 4Å; K519-A526 PolarHBondContact NZ-O 3.03Å; C524-A526 PolarHBondContact O-N 3.3Å; A526-Q541 CarbonylContact C-O 3.51Å; A526-Q541 WeakPolarHBondContact CA-O 3.37Å; A526-A542 HydrophobicContact CB-CB 4.34Å |
| 527 | G | 95.2 | Very high | 91.8 | Very high | 24 Ų | 24 | 73 Ų | 73 | 25% | 0.247 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 171.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S515 I540 Q541 | S515-G527 WeakPolarHBondContact OG-CA 3.37Å; S515-G527 PolarHBondContact OG-N 3.33Å; G527-I540 WeakPolarHBondContact O-CA 3.5Å; G527-Q541 PolarHBondContact N-O 2.82Å; G527-Q541 PolarHBondContact O-N 2.67Å |
| 528 | R | 95.4 | Very high | 91.8 | Very high | 97 Ų | 97 | 72.4 Ų | 72.4 | 37% | 0.366 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 146.1 | 172.8 | -62.8 | -177.5 | -178.7 | -158.6 | -1.1 | 110.6 | D512 I538 I539 I540 | D512-R528 IonicContact OD1-CZ 3.72Å; D512-R528 IonicContact OD1-NE 3.35Å; D512-R528 PolarHBondContact OD1-NE 3.25Å; D512-R528 IonicContact OD1-NH2 2.71Å; D512-R528 PolarHBondContact OD1-NH2 3.25Å; D512-R528 IonicContact OD2-CZ 3.74Å; D512-R528 IonicContact OD2-NE 3.47Å; D512-R528 IonicContact OD2-NH2 3.67Å; D512-R528 PolarHBondContact OD2-NH2 3.47Å; R528-I538 HydrophobicContact CG-CG2 4.13Å; R528-I539 CarbonylContact C-O 3.56Å; R528-I539 VanDerWaalsContact CA-O 3.28Å; R528-I539 WeakPolarHBondContact CA-O 3.48Å; R528-I540 HydrophobicContact CG-CD1 3.91Å |
| 529 | T | 94.3 | Very high | 91.8 | Very high | 32 Ų | 32 | 72.4 Ų | 72.4 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 164.7 | 173 | -158.6 | 0 | 0 | 0 | 0 | 110.1 | I539 Q541 | T529-I539 HydrophobicContact CG2-CB 4Å; T529-I539 HydrophobicContact CG2-CG2 4.01Å; T529-I539 PolarHBondContact N-O 2.85Å; T529-I539 WeakPolarHBondContact O-CB 3.37Å; T529-Q541 HydrophobicContact CG2-CB 3.75Å |
| 530 | D | 91.8 | Very high | 91.9 | Very high | 143 Ų | 143 | 67.6 Ų | 67.6 | 77% | 0.765 | 39% | 0.393 | S | S | * | . | trans | -95.5 | 146.4 | 170.1 | -59.2 | -45.8 | 0 | 0 | 0 | 110.5 | R500 | R500-D530 PolarHBondContact NH2-O 3.24Š| ||
| 531 | D | 90.1 | Very high | 92.2 | Very high | 23 Ų | 23 | 62.9 Ų | 62.9 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | trans | -136.4 | 131 | 174.4 | -160.1 | -37.3 | 0 | 0 | 0 | 110.6 | Y489 R500 Q533 Y534 I539 | Y489-D531 WeakPolarHBondContact CE2-OD2 3.41Å; Y489-D531 PolarHBondContact OH-OD2 2.9Å; R500-D531 WeakPolarHBondContact CD-OD2 3.4Å; R500-D531 IonicContact CZ-OD2 2.82Å; R500-D531 IonicContact NE-OD2 2.61Å; R500-D531 IonicContact NH1-OD1 3.7Å; R500-D531 IonicContact NH1-OD2 3.48Å; R500-D531 PolarHBondContact NH1-OD2 3.12Å; D531-Q533 PolarHBondContact O-N 2.96Å; D531-Q533 WeakPolarHBondContact OD1-CB 3.48Å; D531-Q533 PolarHBondContact OD1-N 2.88Å; D531-Y534 CarbonylContact O-C 3.52Å; D531-Y534 PolarHBondContact O-N 2.87Å; D531-Y534 VanDerWaalsContact O-N 3.11Å; D531-I539 HydrophobicContact CB-CG1 3.89Å | ||
| 532 | Q | 89.4 | Confident | 92.4 | Very high | 191 Ų | 191 | 58.6 Ų | 58.6 | 89% | 0.893 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.8 | 176.7 | -68 | -176.3 | -8.6 | 0 | 0 | 112.4 | Y534 | Q532-Y534 PolarHBondContact O-N 3.37Š|
| 533 | Q | 89.3 | Confident | 92.5 | Very high | 124 Ų | 124 | 62.1 Ų | 62.1 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23 | 175.4 | -170.1 | 174.2 | 7.9 | 0 | 0 | 112.2 | D531 | D531-Q533 PolarHBondContact O-N 2.96Å; D531-Q533 WeakPolarHBondContact OD1-CB 3.48Å; D531-Q533 PolarHBondContact OD1-N 2.88Å |
| 534 | Y | 90.2 | Very high | 92.6 | Very high | 28 Ų | 28 | 58.8 Ų | 58.8 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -133.7 | 66.5 | -177.3 | -61.5 | -85.1 | 0 | 0 | 0 | 110.7 | H487 Y489 A502 D531 Q532 G536 K537 I539 | H487-Y534 HydrophobicContact CB-CE1 4.34Å; H487-Y534 VanDerWaalsContact CB-OH 3.27Å; H487-Y534 WeakPolarHBondContact CB-OH 3.48Å; H487-Y534 PolarHBondContact CE1-OH 2.99Å; H487-Y534 AromaticContact CG-CE1 4Å; H487-Y534 AromaticContact CG-CZ 3.83Å; H487-Y534 AromaticContact ND1-CZ 3.89Å; H487-Y534 PolarHBondContact ND1-OH 2.79Å; Y489-Y534 HydrophobicContact CD1-CE2 4.38Å; Y489-Y534 HydrophobicContact CE1-CD2 4.2Å; Y489-Y534 AromaticContact CE1-CE2 3.51Å; Y489-Y534 HydrophobicContact CE1-CE2 3.51Å; Y489-Y534 HydrophobicContact CE2-CE2 4.48Å; Y489-Y534 AromaticContact CZ-CD2 3.94Å; Y489-Y534 AromaticContact CZ-CE2 3.57Å; Y489-Y534 VanDerWaalsContact OH-CD2 3.31Å; Y489-Y534 WeakPolarHBondContact OH-CD2 3.15Å; Y489-Y534 WeakPolarHBondContact OH-CE2 3.33Å; A502-Y534 HydrophobicContact CB-CD1 4.04Å; A502-Y534 HydrophobicContact CB-CD2 4.04Å; A502-Y534 HydrophobicContact CB-CE1 4.15Å; A502-Y534 HydrophobicContact CB-CE2 4.16Å; A502-Y534 HydrophobicContact CB-CG 3.99Å; D531-Y534 CarbonylContact O-C 3.52Å; D531-Y534 PolarHBondContact O-N 2.87Å; D531-Y534 VanDerWaalsContact O-N 3.11Å; Q532-Y534 PolarHBondContact O-N 3.37Å; Y534-G536 PolarHBondContact O-N 3.16Å; Y534-K537 WeakPolarHBondContact O-CB 3.45Å; Y534-K537 PolarHBondContact O-N 3.06Å; Y534-I539 HydrophobicContact CD2-CD1 4.14Å; Y534-I539 HydrophobicContact CG-CD1 3.96Å |
| 535 | P | 84.1 | Confident | 92.8 | Very high | 106 Ų | 106 | 61.3 Ų | 61.3 | 69% | 0.688 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | 131.4 | -174.2 | 26.5 | -33.5 | 0 | 0 | 0 | 111.2 | K537 | P535-K537 PolarHBondContact O-N 2.7Š|
| 536 | G | 82.3 | Confident | 92.8 | Very high | 91 Ų | 91 | 60 Ų | 60 | 94% | 0.938 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 10.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y534 | Y534-G536 PolarHBondContact O-N 3.16Š|
| 537 | K | 87.4 | Confident | 92.8 | Very high | 65 Ų | 65 | 61.1 Ų | 61.1 | 28% | 0.283 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -102.8 | 150.3 | 177.1 | -63 | -76.7 | 180 | 151.5 | 0 | 110.6 | E503 Y534 P535 I539 | E503-K537 VanDerWaalsContact OE1-CE 3.27Å; E503-K537 WeakPolarHBondContact OE1-CE 3.27Å; E503-K537 IonicContact OE1-NZ 2.93Å; E503-K537 PolarHBondContact OE1-NZ 2.95Å; Y534-K537 WeakPolarHBondContact O-CB 3.45Å; Y534-K537 PolarHBondContact O-N 3.06Å; P535-K537 PolarHBondContact O-N 2.7Å; K537-I539 HydrophobicContact CB-CD1 4.17Å; K537-I539 PolarHBondContact O-N 3.24Å |
| 538 | I | 91.2 | Very high | 92.8 | Very high | 35 Ų | 35 | 62.6 Ų | 62.6 | 18% | 0.179 | 35% | 0.345 | C | S | . | . | trans | -77 | 120.4 | 172.6 | -54.8 | -177 | 0 | 0 | 0 | 109 | P184 E505 P511 R528 | P184-I538 HydrophobicContact CB-CD1 4.49Å; E505-I538 WeakPolarHBondContact OE1-CD1 3.05Å; P511-I538 HydrophobicContact CB-CG2 3.71Å; P511-I538 HydrophobicContact CG-CB 4.35Å; P511-I538 HydrophobicContact CG-CD1 4.38Å; P511-I538 HydrophobicContact CG-CG2 3.92Å; R528-I538 HydrophobicContact CG-CG2 4.13Å | ||
| 539 | I | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.6 | 176.5 | -45.1 | -61.7 | 0 | 0 | 0 | 108.8 | R500 I501 A502 R528 T529 D531 Y534 K537 | R500-I539 HydrophobicContact CB-CG2 3.96Å; R500-I539 HydrophobicContact CG-CG2 4.12Å; I501-I539 WeakPolarHBondContact O-CA 3.08Å; A502-I539 HydrophobicContact CB-CD1 3.31Å; R528-I539 CarbonylContact C-O 3.56Å; R528-I539 VanDerWaalsContact CA-O 3.28Å; R528-I539 WeakPolarHBondContact CA-O 3.48Å; T529-I539 HydrophobicContact CG2-CB 4Å; T529-I539 HydrophobicContact CG2-CG2 4.01Å; T529-I539 PolarHBondContact N-O 2.85Å; T529-I539 WeakPolarHBondContact O-CB 3.37Å; D531-I539 HydrophobicContact CB-CG1 3.89Å; Y534-I539 HydrophobicContact CD2-CD1 4.14Å; Y534-I539 HydrophobicContact CG-CD1 3.96Å; K537-I539 HydrophobicContact CB-CD1 4.17Å; K537-I539 PolarHBondContact O-N 3.24Å |
| 540 | I | 97.6 | Very high | 93 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 133.7 | 169.1 | -60.8 | -52.5 | 0 | 0 | 0 | 108.5 | R500 I501 L504 P511 L518 G527 R528 | R500-I540 CarbonylContact C-O 3.38Å; R500-I540 VanDerWaalsContact CA-O 3.3Å; R500-I540 WeakPolarHBondContact CA-O 3.5Å; I501-I540 HydrophobicContact CB-CB 4.42Å; I501-I540 HydrophobicContact CD1-CB 4.27Å; I501-I540 HydrophobicContact CD1-CG2 4.15Å; I501-I540 WeakPolarHBondContact CD1-O 3.36Å; I501-I540 PolarHBondContact N-O 3.39Å; I501-I540 PolarHBondContact O-N 2.92Å; L504-I540 HydrophobicContact CD1-CG1 4.07Å; P511-I540 HydrophobicContact CB-CD1 3.75Å; P511-I540 HydrophobicContact CB-CG1 3.93Å; P511-I540 VanDerWaalsContact O-CD1 3.32Å; P511-I540 WeakPolarHBondContact O-CD1 3.5Å; L518-I540 HydrophobicContact CD1-CG2 3.83Å; G527-I540 WeakPolarHBondContact O-CA 3.5Å; R528-I540 HydrophobicContact CG-CD1 3.91Å |
| 541 | Q | 97.4 | Very high | 93.2 | Very high | 38 Ų | 38 | 51.7 Ų | 51.7 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 129.7 | 176.4 | -176.2 | -178.9 | -85.9 | 0 | 0 | 109.5 | L498 T499 R500 A526 G527 T529 | L498-Q541 HydrophobicContact CB-CG 4.09Å; L498-Q541 HydrophobicContact CD1-CG 4.5Å; T499-Q541 CarbonylContact O-C 3.53Å; T499-Q541 WeakPolarHBondContact O-CA 3.38Å; R500-Q541 HydrophobicContact CG-CB 4.21Å; R500-Q541 HydrophobicContact CG-CG 4.11Å; R500-Q541 VanDerWaalsContact NH2-OE1 3.16Å; A526-Q541 CarbonylContact C-O 3.51Å; A526-Q541 WeakPolarHBondContact CA-O 3.37Å; G527-Q541 PolarHBondContact N-O 2.82Å; G527-Q541 PolarHBondContact O-N 2.67Å; T529-Q541 HydrophobicContact CG2-CB 3.75Å |
| 542 | A | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 139.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T499 L518 A526 | T499-A542 PolarHBondContact N-O 3.48Å; T499-A542 PolarHBondContact O-N 2.97Å; L518-A542 HydrophobicContact CD1-CB 4.43Å; A526-A542 HydrophobicContact CB-CB 4.34Å |
| 543 | Q | 95.5 | Very high | 93.6 | Very high | 106 Ų | 106 | 46.9 Ų | 46.9 | 50% | 0.495 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 132.5 | 173.4 | -73.6 | -153.8 | -19.3 | 0 | 0 | 111 | L498 S525 H546 | L498-Q543 HydrophobicContact CD2-CB 4.34Å; L498-Q543 HydrophobicContact CD2-CG 4.06Å; S525-Q543 PolarHBondContact O-N 3.17Å; Q543-H546 PolarHBondContact O-CD2 3.19Å; Q543-H546 PolarHBondContact O-NE2 3.09Å |
| 544 | G | 95.3 | Very high | 93.9 | Very high | 28 Ų | 28 | 41 Ų | 41 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | 95.3 | 179.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | K497 L498 T499 | K497-G544 WeakPolarHBondContact O-CA 3.39Å; K497-G544 PolarHBondContact O-N 3.03Å; L498-G544 CarbonylContact C-O 3.45Å; T499-G544 PolarHBondContact N-O 3.13Å; T499-G544 PolarHBondContact OG1-O 2.8Å |
| 545 | V | 96.2 | Very high | 94 | Very high | 75 Ų | 75 | 41.2 Ų | 41.2 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | trans | -100.9 | 108.7 | 178.5 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | I490 K497 T499 | I490-V545 HydrophobicContact CD1-CB 4.43Å; I490-V545 HydrophobicContact CD1-CG1 3.52Å; I490-V545 HydrophobicContact CD1-CG2 4.09Å; I490-V545 HydrophobicContact CG1-CG1 4.31Å; I490-V545 HydrophobicContact CG2-CG2 4.47Å; K497-V545 HydrophobicContact CB-CG2 3.54Å; K497-V545 HydrophobicContact CD-CG2 3.84Å; K497-V545 HydrophobicContact CG-CG2 4.33Å; T499-V545 WeakPolarHBondContact OG1-CA 3.42Å | ||
| 546 | H | 95.9 | Very high | 94.3 | Very high | 47 Ų | 47 | 42 Ų | 42 | 22% | 0.218 | 25% | 0.245 | C | C | . | . | trans | -129.9 | 25.2 | -172.2 | -63 | -64.3 | 0 | 0 | 0 | 112.9 | T499 L522 Q543 V548 A549 I550 | T499-H546 PolarHBondContact OG1-N 3.31Å; L522-H546 HydrophobicContact CD1-CB 3.76Å; L522-H546 HydrophobicContact CD2-CB 4.37Å; Q543-H546 PolarHBondContact O-CD2 3.19Å; Q543-H546 PolarHBondContact O-NE2 3.09Å; H546-V548 VanDerWaalsContact C-N 3.33Å; H546-V548 PolarHBondContact O-N 3.09Å; H546-A549 PolarHBondContact O-N 3.1Å; H546-I550 HydrophobicContact CB-CD1 3.98Å; H546-I550 HydrophobicContact CB-CG1 4.06Å; H546-I550 WeakPolarHBondContact O-CB 3.29Å; H546-I550 VanDerWaalsContact O-CG1 3.29Å; H546-I550 WeakPolarHBondContact O-CG1 3.5Å; H546-I550 PolarHBondContact O-N 2.93Å | ||
| 547 | L | 96.2 | Very high | 94.7 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 16% | 0.157 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.7 | -47.5 | -176 | -63.1 | -179.6 | 0 | 0 | 0 | 112.6 | L488 I490 T499 S551 T569 | L488-L547 HydrophobicContact CD1-CD2 4.21Å; L488-L547 HydrophobicContact CD2-CB 4.39Å; L488-L547 HydrophobicContact CD2-CD2 3.99Å; L488-L547 WeakPolarHBondContact CD2-O 3.46Å; L488-L547 HydrophobicContact CG-CD2 3.57Å; I490-L547 HydrophobicContact CD1-CD1 3.61Å; I490-L547 HydrophobicContact CD1-CG 4Å; I490-L547 HydrophobicContact CG1-CD1 3.87Å; I490-L547 HydrophobicContact CG1-CD2 4.02Å; I490-L547 HydrophobicContact CG1-CG 3.93Å; T499-L547 HydrophobicContact CG2-CD2 3.86Å; L547-S551 WeakPolarHBondContact O-CB 3.31Å; L547-S551 PolarHBondContact O-N 2.63Å; L547-S551 PolarHBondContact O-OG 3.33Å; L547-T569 WeakPolarHBondContact CB-OG1 3.33Å |
| 548 | V | 95.9 | Very high | 94.9 | Very high | 55 Ų | 55 | 36.7 Ų | 36.7 | 33% | 0.333 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.1 | -49.3 | 179.6 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | H546 I550 S551 K552 T569 P571 | H546-V548 VanDerWaalsContact C-N 3.33Å; H546-V548 PolarHBondContact O-N 3.09Å; V548-I550 PolarHBondContact O-N 3.43Å; V548-S551 WeakPolarHBondContact O-CB 3.47Å; V548-S551 PolarHBondContact O-N 3.19Å; V548-K552 WeakPolarHBondContact O-CB 3.19Å; V548-K552 PolarHBondContact O-N 3.05Å; V548-T569 HydrophobicContact CG2-CG2 3.66Å; V548-P571 HydrophobicContact CG1-CB 3.76Å |
| 549 | A | 95.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 37.1 Ų | 37.1 | 35% | 0.347 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.4 | -40.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L522 H546 K552 L553 | L522-A549 HydrophobicContact CD2-CB 3.55Å; H546-A549 PolarHBondContact O-N 3.1Å; A549-K552 PolarHBondContact O-N 3.21Å; A549-L553 WeakPolarHBondContact O-CB 3.38Å; A549-L553 PolarHBondContact O-N 3.26Å |
| 550 | I | 97.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.9 | -38.2 | 177.8 | -61.8 | -179.3 | 0 | 0 | 0 | 111 | L488 T499 I501 F514 L518 L522 H546 V548 K552 L553 L554 | L488-I550 HydrophobicContact CD1-CB 4.11Å; L488-I550 HydrophobicContact CD1-CD1 4.36Å; L488-I550 HydrophobicContact CD1-CG2 3.69Å; L488-I550 HydrophobicContact CD2-CB 4.34Å; L488-I550 HydrophobicContact CD2-CG2 4.3Å; T499-I550 HydrophobicContact CG2-CD1 3.86Å; I501-I550 HydrophobicContact CD1-CD1 3.91Å; I501-I550 HydrophobicContact CG1-CD1 4.33Å; I501-I550 HydrophobicContact CG1-CG2 4.16Å; F514-I550 HydrophobicContact CE1-CG2 4.5Å; F514-I550 HydrophobicContact CZ-CG2 4.22Å; L518-I550 HydrophobicContact CD1-CD1 4.28Å; L518-I550 HydrophobicContact CD2-CD1 3.98Å; L518-I550 HydrophobicContact CD2-CG1 3.78Å; L522-I550 HydrophobicContact CD1-CD1 4.13Å; L522-I550 HydrophobicContact CD1-CG1 4.01Å; H546-I550 HydrophobicContact CB-CD1 3.98Å; H546-I550 HydrophobicContact CB-CG1 4.06Å; H546-I550 WeakPolarHBondContact O-CB 3.29Å; H546-I550 VanDerWaalsContact O-CG1 3.29Å; H546-I550 WeakPolarHBondContact O-CG1 3.5Å; H546-I550 PolarHBondContact O-N 2.93Å; V548-I550 PolarHBondContact O-N 3.43Å; I550-K552 VanDerWaalsContact C-N 3.31Å; I550-K552 PolarHBondContact O-N 3.45Å; I550-L553 PolarHBondContact O-N 3.21Å; I550-L554 HydrophobicContact CG2-CD1 4.17Å; I550-L554 HydrophobicContact CG2-CG 4.45Å; I550-L554 WeakPolarHBondContact O-CG 3.47Å; I550-L554 PolarHBondContact O-N 3.08Å |
| 551 | S | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.3 | -48.1 | 172.3 | -69.6 | 0 | 0 | 0 | 0 | 110.8 | L488 L547 V548 L554 T555 Y568 T569 | L488-S551 WeakPolarHBondContact CD2-OG 3.12Å; L547-S551 WeakPolarHBondContact O-CB 3.31Å; L547-S551 PolarHBondContact O-N 2.63Å; L547-S551 PolarHBondContact O-OG 3.33Å; V548-S551 WeakPolarHBondContact O-CB 3.47Å; V548-S551 PolarHBondContact O-N 3.19Å; S551-L554 PolarHBondContact O-N 3.49Å; S551-T555 PolarHBondContact O-N 2.59Å; S551-T555 VanDerWaalsContact O-N 3.09Å; S551-T555 PolarHBondContact O-OG1 3.21Å; S551-Y568 VanDerWaalsContact CB-CE2 3.5Å; S551-T569 WeakPolarHBondContact CB-O 3.21Å; S551-T569 PolarHBondContact OG-N 2.9Å |
| 552 | K | 94.3 | Very high | 94.3 | Very high | 101 Ų | 101 | 42.9 Ų | 42.9 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 176.1 | -171.5 | 177.8 | 179.1 | -178.7 | 0 | 111.9 | V548 A549 I550 L554 T555 E556 | V548-K552 WeakPolarHBondContact O-CB 3.19Å; V548-K552 PolarHBondContact O-N 3.05Å; A549-K552 PolarHBondContact O-N 3.21Å; I550-K552 VanDerWaalsContact C-N 3.31Å; I550-K552 PolarHBondContact O-N 3.45Å; K552-L554 PolarHBondContact O-N 3.34Å; K552-T555 PolarHBondContact O-N 2.89Å; K552-T555 PolarHBondContact O-OG1 3.26Å; K552-T555 VanDerWaalsContact O-OG1 3.1Å; K552-E556 WeakPolarHBondContact CE-OE1 3.39Å; K552-E556 WeakPolarHBondContact CE-OE2 3.42Å; K552-E556 HydrophobicContact CG-CG 4.09Å; K552-E556 VanDerWaalsContact CG-OE1 3.31Å; K552-E556 WeakPolarHBondContact CG-OE1 3.4Å; K552-E556 WeakPolarHBondContact CG-OE2 3.31Å; K552-E556 IonicContact NZ-OE2 4Å; K552-E556 VanDerWaalsContact O-CB 3.3Å; K552-E556 WeakPolarHBondContact O-CB 3.45Å; K552-E556 WeakPolarHBondContact O-CG 3.4Å; K552-E556 PolarHBondContact O-N 2.98Å |
| 553 | L | 94.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 178 | -179.4 | 65 | 0 | 0 | 0 | 112.2 | F514 L518 A549 I550 S557 Y558 | F514-L553 HydrophobicContact CE2-CD2 3.89Å; F514-L553 HydrophobicContact CE2-CG 4.37Å; F514-L553 HydrophobicContact CZ-CD2 4Å; L518-L553 HydrophobicContact CD2-CD2 3.72Å; A549-L553 WeakPolarHBondContact O-CB 3.38Å; A549-L553 PolarHBondContact O-N 3.26Å; I550-L553 PolarHBondContact O-N 3.21Å; L553-S557 WeakPolarHBondContact O-CB 3.21Å; L553-S557 PolarHBondContact O-N 3.39Å; L553-Y558 HydrophobicContact CD1-CE2 4.48Å; L553-Y558 HydrophobicContact CG-CD2 4.48Å; L553-Y558 HydrophobicContact CG-CE2 4.28Å; L553-Y558 PolarHBondContact O-N 2.81Å |
| 554 | L | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.3 | -40.9 | 179.4 | -71.7 | 171.2 | 0 | 0 | 0 | 112.2 | I486 L504 I509 F514 I550 S551 K552 Y558 S559 I560 I565 | I486-L554 HydrophobicContact CD1-CD1 4.22Å; I486-L554 HydrophobicContact CD1-CD2 3.86Å; I486-L554 HydrophobicContact CG2-CD1 3.97Å; L504-L554 HydrophobicContact CD2-CD2 4.16Å; I509-L554 HydrophobicContact CD1-CD2 4.13Å; F514-L554 HydrophobicContact CE2-CD2 3.66Å; F514-L554 HydrophobicContact CE2-CG 4.41Å; F514-L554 HydrophobicContact CZ-CD2 3.7Å; F514-L554 HydrophobicContact CZ-CG 4.12Å; I550-L554 HydrophobicContact CG2-CD1 4.17Å; I550-L554 HydrophobicContact CG2-CG 4.45Å; I550-L554 WeakPolarHBondContact O-CG 3.47Å; I550-L554 PolarHBondContact O-N 3.08Å; S551-L554 PolarHBondContact O-N 3.49Å; K552-L554 PolarHBondContact O-N 3.34Å; L554-Y558 CarbonylContact O-C 3.56Å; L554-Y558 WeakPolarHBondContact O-CB 3.42Å; L554-S559 PolarHBondContact O-N 3.1Å; L554-I560 PolarHBondContact O-N 3.26Å; L554-I565 HydrophobicContact CB-CD1 3.67Å; L554-I565 HydrophobicContact CD1-CD1 4.11Å; L554-I565 HydrophobicContact CD1-CG1 4.44Å; L554-I565 HydrophobicContact CD1-CG2 4.33Å |
| 555 | T | 92.7 | Very high | 94.2 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76.9 | -35.3 | -179.1 | 51.9 | 0 | 0 | 0 | 0 | 113.6 | S551 K552 S559 I560 K562 I565 Y568 | S551-T555 PolarHBondContact O-N 2.59Å; S551-T555 VanDerWaalsContact O-N 3.09Å; S551-T555 PolarHBondContact O-OG1 3.21Å; K552-T555 PolarHBondContact O-N 2.89Å; K552-T555 PolarHBondContact O-OG1 3.26Å; K552-T555 VanDerWaalsContact O-OG1 3.1Å; T555-S559 VanDerWaalsContact O-CA 3.31Å; T555-S559 WeakPolarHBondContact O-CA 3.35Å; T555-I560 WeakPolarHBondContact CG2-O 3.27Å; T555-K562 HydrophobicContact CG2-CG 3.96Å; T555-I565 HydrophobicContact CG2-CD1 3.91Å; T555-Y568 HydrophobicContact CG2-CD2 4.2Å; T555-Y568 HydrophobicContact CG2-CE2 3.5Å; T555-Y568 VanDerWaalsContact CG2-CE2 3.5Å |
| 556 | E | 90.2 | Very high | 94.2 | Very high | 122 Ų | 122 | 45.4 Ų | 45.4 | 57% | 0.57 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -92.5 | -52.3 | -174.1 | -65.9 | -178.4 | -179.1 | 0 | 0 | 111.6 | K552 | K552-E556 WeakPolarHBondContact CE-OE1 3.39Å; K552-E556 WeakPolarHBondContact CE-OE2 3.42Å; K552-E556 HydrophobicContact CG-CG 4.09Å; K552-E556 VanDerWaalsContact CG-OE1 3.31Å; K552-E556 WeakPolarHBondContact CG-OE1 3.4Å; K552-E556 WeakPolarHBondContact CG-OE2 3.31Å; K552-E556 IonicContact NZ-OE2 4Å; K552-E556 VanDerWaalsContact O-CB 3.3Å; K552-E556 WeakPolarHBondContact O-CB 3.45Å; K552-E556 WeakPolarHBondContact O-CG 3.4Å; K552-E556 PolarHBondContact O-N 2.98Å |
| 557 | S | 90.3 | Very high | 94.2 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -32.5 | -175.2 | -53.7 | 0 | 0 | 0 | 0 | 113 | P357 L553 | P357-S557 WeakPolarHBondContact CD-O 3.46Å; L553-S557 WeakPolarHBondContact O-CB 3.21Å; L553-S557 PolarHBondContact O-N 3.39Å |
| 558 | Y | 91.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -103.2 | -3.8 | 178.8 | -66.7 | -95.2 | 0 | 0 | 0 | 113 | P357 Y360 I509 F514 Q517 L553 L554 I560 | P357-Y558 HydrophobicContact CB-CE1 4.24Å; P357-Y558 HydrophobicContact CG-CD1 4.4Å; P357-Y558 HydrophobicContact CG-CD2 4.38Å; P357-Y558 HydrophobicContact CG-CE1 3.98Å; P357-Y558 HydrophobicContact CG-CE2 3.96Å; Y360-Y558 AromaticContact CD1-CD1 3.43Å; Y360-Y558 HydrophobicContact CD1-CD1 3.43Å; Y360-Y558 VanDerWaalsContact CD1-CD1 3.43Å; Y360-Y558 HydrophobicContact CD1-CE1 4Å; Y360-Y558 HydrophobicContact CD1-CG 4.35Å; Y360-Y558 HydrophobicContact CD2-CD1 4.3Å; Y360-Y558 AromaticContact CE1-CD1 3.56Å; Y360-Y558 HydrophobicContact CE1-CD1 3.56Å; Y360-Y558 HydrophobicContact CE1-CG 4.21Å; Y360-Y558 WeakPolarHBondContact CE1-O 3.39Å; Y360-Y558 HydrophobicContact CE2-CD1 4.43Å; Y360-Y558 AromaticContact CG-CD1 3.8Å; Y360-Y558 HydrophobicContact CG-CD1 3.8Å; Y360-Y558 AromaticContact CG-CE1 4Å; Y360-Y558 HydrophobicContact CG-CE1 4Å; Y360-Y558 PolarHBondContact OH-O 3.18Å; I509-Y558 HydrophobicContact CD1-CD1 3.69Å; I509-Y558 HydrophobicContact CD1-CE1 4.32Å; I509-Y558 HydrophobicContact CD1-CG 4.03Å; I509-Y558 HydrophobicContact CG1-CD1 3.79Å; I509-Y558 HydrophobicContact CG1-CE1 4.15Å; I509-Y558 HydrophobicContact CG2-CD1 4.32Å; I509-Y558 HydrophobicContact CG2-CE1 3.87Å; F514-Y558 HydrophobicContact CD2-CE1 4.45Å; F514-Y558 AromaticContact CD2-CE2 3.71Å; F514-Y558 HydrophobicContact CD2-CE2 3.71Å; F514-Y558 AromaticContact CD2-CZ 3.67Å; F514-Y558 HydrophobicContact CE2-CD2 4.14Å; F514-Y558 AromaticContact CE2-CE2 3.62Å; F514-Y558 HydrophobicContact CE2-CE2 3.62Å; Q517-Y558 PolarHBondContact OE1-OH 3.28Å; L553-Y558 HydrophobicContact CD1-CE2 4.48Å; L553-Y558 HydrophobicContact CG-CD2 4.48Å; L553-Y558 HydrophobicContact CG-CE2 4.28Å; L553-Y558 PolarHBondContact O-N 2.81Å; L554-Y558 CarbonylContact O-C 3.56Å; L554-Y558 WeakPolarHBondContact O-CB 3.42Å; Y558-I560 PolarHBondContact O-N 2.88Å; Y558-I560 VanDerWaalsContact O-N 3.08Å |
| 559 | S | 91 | Very high | 94.1 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 30% | 0.301 | 24% | 0.24 | S | C | . | . | trans | 51.4 | 31.1 | -178 | -71 | 0 | 0 | 0 | 0 | 114.1 | W356 L554 T555 P561 | W356-S559 WeakPolarHBondContact CH2-OG 3.29Å; W356-S559 VanDerWaalsContact CZ3-OG 3.29Å; W356-S559 WeakPolarHBondContact CZ3-OG 3.33Å; L554-S559 PolarHBondContact O-N 3.1Å; T555-S559 VanDerWaalsContact O-CA 3.31Å; T555-S559 WeakPolarHBondContact O-CA 3.35Å; S559-P561 VanDerWaalsContact O-CD 3.28Å; S559-P561 WeakPolarHBondContact O-CD 3.43Å | ||
| 560 | I | 92.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | trans | -75 | 121.5 | 175.2 | -56.4 | -57.5 | 0 | 0 | 0 | 108.6 | Y360 P363 I486 F507 I509 L554 T555 Y558 K562 F564 I565 | Y360-I560 WeakPolarHBondContact OH-CD1 3.37Å; P363-I560 HydrophobicContact CB-CD1 4.21Å; I486-I560 HydrophobicContact CD1-CG1 4.17Å; I486-I560 HydrophobicContact CD1-CG2 4.16Å; F507-I560 HydrophobicContact CB-CD1 4.21Å; F507-I560 HydrophobicContact CD1-CD1 3.79Å; F507-I560 HydrophobicContact CD1-CG2 4.43Å; F507-I560 HydrophobicContact CE1-CG2 4.32Å; F507-I560 HydrophobicContact CG-CD1 4.25Å; I509-I560 HydrophobicContact CD1-CD1 4.26Å; I509-I560 HydrophobicContact CD1-CG1 4.2Å; L554-I560 PolarHBondContact O-N 3.26Å; T555-I560 WeakPolarHBondContact CG2-O 3.27Å; Y558-I560 PolarHBondContact O-N 2.88Å; Y558-I560 VanDerWaalsContact O-N 3.08Å; I560-K562 PolarHBondContact O-N 3.15Å; I560-F564 HydrophobicContact CG2-CB 4.21Å; I560-I565 HydrophobicContact CB-CD1 4.32Å; I560-I565 HydrophobicContact CG2-CD1 4.1Å; I560-I565 HydrophobicContact CG2-CG1 3.85Å | ||
| 561 | P | 91.3 | Very high | 93.2 | Very high | 58 Ų | 58 | 52 Ų | 52 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | trans | -58.8 | 137.9 | 177 | -25.5 | 33.6 | 0 | 0 | 0 | 112.4 | S559 R563 F564 | S559-P561 VanDerWaalsContact O-CD 3.28Å; S559-P561 WeakPolarHBondContact O-CD 3.43Å; P561-R563 HydrophobicContact CB-CG 4.16Å; P561-R563 PolarHBondContact O-N 2.84Å; P561-F564 HydrophobicContact CB-CD2 3.8Å; P561-F564 HydrophobicContact CB-CE2 4.19Å; P561-F564 HydrophobicContact CG-CD2 3.84Å; P561-F564 HydrophobicContact CG-CE2 4.03Å; P561-F564 PolarHBondContact O-N 3.14Å | ||
| 562 | K | 94.4 | Very high | 92.3 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -47.4 | -39.7 | -179.9 | -62.9 | -176.7 | 179.2 | -171.9 | 0 | 113.2 | T555 I560 F564 I565 Y568 E570 | T555-K562 HydrophobicContact CG2-CG 3.96Å; I560-K562 PolarHBondContact O-N 3.15Å; K562-F564 PolarHBondContact O-N 3.25Å; K562-F564 VanDerWaalsContact O-N 3.11Å; K562-I565 PolarHBondContact O-N 3.49Å; K562-Y568 HydrophobicContact CB-CD1 4.49Å; K562-Y568 HydrophobicContact CD-CD1 4.34Å; K562-Y568 HydrophobicContact CD-CE1 3.66Å; K562-Y568 VanDerWaalsContact CE-OH 3.25Å; K562-Y568 WeakPolarHBondContact CE-OH 3.46Å; K562-Y568 HydrophobicContact CG-CD1 4.42Å; K562-Y568 HydrophobicContact CG-CD2 4.43Å; K562-Y568 HydrophobicContact CG-CE1 3.98Å; K562-Y568 HydrophobicContact CG-CE2 4.02Å; K562-E570 IonicContact NZ-OE1 2.7Å; K562-E570 PolarHBondContact NZ-OE1 3.35Å |
| 563 | R | 94.3 | Very high | 91.1 | Very high | 167 Ų | 167 | 63.5 Ų | 63.5 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -60.1 | -20.6 | -179.6 | 69.8 | 178.2 | -177.5 | 174.2 | 1.7 | 114.5 | H485 P561 | H485-R563 PolarHBondContact CD2-O 3.46Å; H485-R563 PolarHBondContact NE2-O 3.03Å; P561-R563 HydrophobicContact CB-CG 4.16Å; P561-R563 PolarHBondContact O-N 2.84Å |
| 564 | F | 95.3 | Very high | 88.8 | Confident | 13 Ų | 13 | 76 Ų | 76 | 6% | 0.057 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -98.6 | 8.9 | 179.1 | -61.5 | -54.5 | 0 | 0 | 0 | 113.1 | I366 P483 H485 I486 F507 I560 P561 K562 | I366-F564 HydrophobicContact CB-CE1 4.36Å; I366-F564 HydrophobicContact CB-CE2 4.29Å; I366-F564 HydrophobicContact CB-CZ 3.75Å; I366-F564 HydrophobicContact CD1-CD1 4.08Å; I366-F564 HydrophobicContact CD1-CD2 4.11Å; I366-F564 HydrophobicContact CD1-CE1 3.83Å; I366-F564 HydrophobicContact CD1-CE2 3.85Å; I366-F564 HydrophobicContact CD1-CG 4.22Å; I366-F564 HydrophobicContact CD1-CZ 3.7Å; I366-F564 HydrophobicContact CG1-CE2 4.46Å; I366-F564 HydrophobicContact CG1-CZ 4.24Å; I366-F564 HydrophobicContact CG2-CE1 4.19Å; I366-F564 HydrophobicContact CG2-CZ 4.01Å; P483-F564 HydrophobicContact CB-CD1 4.22Å; P483-F564 HydrophobicContact CB-CE1 3.84Å; P483-F564 HydrophobicContact CG-CD1 4.23Å; P483-F564 HydrophobicContact CG-CE1 3.98Å; H485-F564 CarbonylContact C-O 3.53Å; H485-F564 VanDerWaalsContact CA-O 3.23Å; H485-F564 WeakPolarHBondContact CA-O 3.15Å; I486-F564 PolarHBondContact N-O 3.2Å; F507-F564 HydrophobicContact CE1-CB 3.94Å; F507-F564 HydrophobicContact CE1-CG 4.29Å; F507-F564 HydrophobicContact CZ-CB 3.78Å; F507-F564 HydrophobicContact CZ-CG 4.33Å; I560-F564 HydrophobicContact CG2-CB 4.21Å; P561-F564 HydrophobicContact CB-CD2 3.8Å; P561-F564 HydrophobicContact CB-CE2 4.19Å; P561-F564 HydrophobicContact CG-CD2 3.84Å; P561-F564 HydrophobicContact CG-CE2 4.03Å; P561-F564 PolarHBondContact O-N 3.14Å; K562-F564 PolarHBondContact O-N 3.25Å; K562-F564 VanDerWaalsContact O-N 3.11Å |
| 565 | I | 96.9 | Very high | 88.5 | Confident | 7 Ų | 7 | 79.9 Ų | 79.9 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 101.6 | 177.1 | -54.4 | 170.1 | 0 | 0 | 0 | 108.2 | I486 L488 L554 T555 I560 K562 Y568 | I486-I565 CarbonylContact O-C 3.52Å; I486-I565 WeakPolarHBondContact O-CA 3.33Å; L488-I565 HydrophobicContact CB-CG2 4.41Å; L554-I565 HydrophobicContact CB-CD1 3.67Å; L554-I565 HydrophobicContact CD1-CD1 4.11Å; L554-I565 HydrophobicContact CD1-CG1 4.44Å; L554-I565 HydrophobicContact CD1-CG2 4.33Å; T555-I565 HydrophobicContact CG2-CD1 3.91Å; I560-I565 HydrophobicContact CB-CD1 4.32Å; I560-I565 HydrophobicContact CG2-CD1 4.1Å; I560-I565 HydrophobicContact CG2-CG1 3.85Å; K562-I565 PolarHBondContact O-N 3.49Å; I565-Y568 HydrophobicContact CB-CD2 4.4Å; I565-Y568 HydrophobicContact CD1-CD2 4.09Å; I565-Y568 HydrophobicContact CG2-CD2 4.39Å; I565-Y568 WeakPolarHBondContact O-CB 3.43Å; I565-Y568 PolarHBondContact O-N 3.06Å |
| 566 | K | 96.2 | Very high | 88.3 | Confident | 74 Ų | 74 | 82.4 Ų | 82.4 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 127.7 | 171.8 | -83.4 | -179.8 | 176.1 | -176.1 | 0 | 109.3 | E482 H485 I486 H487 L488 | E482-K566 IonicContact OE2-NZ 2.63Å; E482-K566 PolarHBondContact OE2-NZ 2.68Å; H485-K566 HydrophobicContact CB-CB 4.45Å; H485-K566 HydrophobicContact CB-CD 4.1Å; H485-K566 HydrophobicContact CB-CG 4.03Å; I486-K566 PolarHBondContact O-N 2.7Å; H487-K566 VanDerWaalsContact CE1-CD 3.4Å; H487-K566 WeakPolarHBondContact CE1-CD 3.46Å; L488-K566 PolarHBondContact N-O 3.19Å |
| 567 | G | 95.1 | Very high | 88.2 | Confident | 43 Ų | 43 | 80.2 Ų | 80.2 | 44% | 0.443 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 14.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L488 T569 | L488-G567 WeakPolarHBondContact O-CA 3.31Å; G567-T569 PolarHBondContact O-N 3.19Å; G567-T569 PolarHBondContact O-OG1 3.05Å |
| 568 | Y | 96.2 | Very high | 88.1 | Confident | 53 Ų | 53 | 82.3 Ų | 82.3 | 21% | 0.208 | 41% | 0.405 | C | S | . | . | trans | -51.3 | 130.4 | 168.8 | -178.1 | -96.1 | 0 | 0 | 0 | 110.5 | S551 T555 K562 I565 E570 | S551-Y568 VanDerWaalsContact CB-CE2 3.5Å; T555-Y568 HydrophobicContact CG2-CD2 4.2Å; T555-Y568 HydrophobicContact CG2-CE2 3.5Å; T555-Y568 VanDerWaalsContact CG2-CE2 3.5Å; K562-Y568 HydrophobicContact CB-CD1 4.49Å; K562-Y568 HydrophobicContact CD-CD1 4.34Å; K562-Y568 HydrophobicContact CD-CE1 3.66Å; K562-Y568 VanDerWaalsContact CE-OH 3.25Å; K562-Y568 WeakPolarHBondContact CE-OH 3.46Å; K562-Y568 HydrophobicContact CG-CD1 4.42Å; K562-Y568 HydrophobicContact CG-CD2 4.43Å; K562-Y568 HydrophobicContact CG-CE1 3.98Å; K562-Y568 HydrophobicContact CG-CE2 4.02Å; I565-Y568 HydrophobicContact CB-CD2 4.4Å; I565-Y568 HydrophobicContact CD1-CD2 4.09Å; I565-Y568 HydrophobicContact CG2-CD2 4.39Å; I565-Y568 WeakPolarHBondContact O-CB 3.43Å; I565-Y568 PolarHBondContact O-N 3.06Å; Y568-E570 HydrophobicContact CD1-CG 4.41Å; Y568-E570 HydrophobicContact CE1-CG 3.62Å | ||
| 569 | T | 94.7 | Very high | 87.8 | Confident | 47 Ų | 47 | 87.3 Ų | 87.3 | 29% | 0.288 | 43% | 0.43 | S | S | . | . | trans | -122.5 | 123.7 | -179.8 | -51.7 | 0 | 0 | 0 | 0 | 108.8 | L547 V548 S551 G567 | L547-T569 WeakPolarHBondContact CB-OG1 3.33Å; V548-T569 HydrophobicContact CG2-CG2 3.66Å; S551-T569 WeakPolarHBondContact CB-O 3.21Å; S551-T569 PolarHBondContact OG-N 2.9Å; G567-T569 PolarHBondContact O-N 3.19Å; G567-T569 PolarHBondContact O-OG1 3.05Å | ||
| 570 | E | 90.8 | Very high | 87.6 | Confident | 103 Ų | 103 | 90.3 Ų | 90.3 | 48% | 0.481 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 145.9 | 176.1 | -77.4 | -159 | 159.9 | 0 | 0 | 111.3 | K562 Y568 | K562-E570 IonicContact NZ-OE1 2.7Å; K562-E570 PolarHBondContact NZ-OE1 3.35Å; Y568-E570 HydrophobicContact CD1-CG 4.41Å; Y568-E570 HydrophobicContact CE1-CG 3.62Å |
| 571 | P | 82.2 | Confident | 87.3 | Confident | 68 Ų | 68 | 96.6 Ų | 96.6 | 44% | 0.442 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 142.3 | 165.9 | 27.2 | -31.3 | 0 | 0 | 0 | 109.7 | V548 K573 | V548-P571 HydrophobicContact CG1-CB 3.76Å; P571-K573 PolarHBondContact O-N 3.16Å |
| 572 | D | 78.3 | Confident | 87 | Confident | 152 Ų | 152 | 99.6 Ų | 99.6 | 81% | 0.813 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -53 | 128 | 172.8 | -68.1 | -40.8 | 0 | 0 | 0 | 109.2 | K574 | D572-K574 PolarHBondContact O-N 3.5Š|
| 573 | K | 68.9 | Low | 86.4 | Confident | 191 Ų | 191 | 99.4 Ų | 99.4 | 83% | 0.83 | 48% | 0.479 | S | S | * | . | trans | -63.2 | 109.6 | 175 | -72.3 | -177 | 179.2 | 179 | 0 | 107.3 | P571 | P571-K573 PolarHBondContact O-N 3.16Š| ||
| 574 | K | 47.5 | Very low | 85.6 | Confident | 275 Ų | 275 | 93.3 Ų | 93.3 | 100% | 1.196 | 47% | 0.465 | S | S | * | . | trans | -63.7 | 0 | 173.5 | -82.8 | -170.1 | 174.2 | -174.5 | 0 | 111.6 | D572 | D572-K574 PolarHBondContact O-N 3.5Š|
Retrieved 574 of 574 residues in 735.7 ms
(Link to these results)